Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020)
Home Process a structure file Publication files: Example saccharides Example non-saccharides RCSB Ligand Expo entries Saccharide entries in Ligand Expo Saccharide fingerprints	Entry ID Formula wwPDB annotation Best fragment probability Compound probability Entry external link 000 C2H4O3 non-polymer 0.00 0.00 000 001 C35F2H42N2O6 non-polymer 0.00 0.00 001 002 C23H35N3O6 non-polymer 0.48 0.47 002 003 C26H25N5O2 non-polymer 0.00 0.00 003 004 C8H9N1O2 L-peptide linking 0.00 0.00 004 005 C10H13N1O3 peptide-like 0.00 0.00 005 006 C35H41N3O6S1 peptide-like 0.47 0.29 006 007 C12H17N1 non-polymer 0.00 0.00 007 008 C20F1H22N3O2 non-polymer 0.00 0.00 008 009 C37H43N5O3 non-polymer 0.20 0.07 009 00A C17Cl1H17N5O8P1 non-polymer 1.00 0.44 00A 00B C6H11N1O2S1 L-peptide linking 0.00 0.00 00B 00C C3H7N1O5S1 D-peptide linking 0.00 0.00 00C 00D C6H15N1 non-polymer 0.38 0.71 00D 00E C6H11N1O3 peptide linking 0.00 0.00 00E 00F C12H18N1O4P1 peptide-like 0.69 0.33 00F 00G C14H14N2O1 non-polymer 0.00 0.00 00G 00H C11H16N1O4P1 peptide-like 0.00 0.00 00H 00I C30H35N5O6S1 peptide-like 0.00 0.00 00I 00J C26H27N3O5 non-polymer 0.50 0.12 00J 00K C28H44N6O4 peptide-like 0.00 0.00 00K 00L C30H42N8O4 peptide-like 0.38 0.29 00L 00M C10H13N1O3 peptide-like 0.00 0.00 00M 00N C24H34N8O3S1 peptide-like 0.00 0.00 00N 00O C15H15N1O2 D-peptide linking 0.00 0.00 00O 00P C22H29N5O5S1 peptide-like 0.00 0.00 00P 00Q C27H35N7O3S1 peptide-like 0.00 0.00 00Q 00R C24H29N7O5S1 peptide-like 0.00 0.00 00R 00S C8H11N3 non-polymer 0.00 0.00 00S 00T C8Cl1H11N2 non-polymer 0.00 0.00 00T 00U C15H19N3O3 peptide-like 0.00 0.00 00U 00V C7H16N2O3 peptide-like 0.00 0.00 00V 00W C7H16N4O3 peptide-like 0.50 0.86 00W 00X C9H11N1O1 non-polymer 0.00 0.00 00X 00Y C9H17N5O1S1 peptide-like 0.00 0.00 00Y 010 C7H8O1 non-polymer 0.00 0.00 010 011 C7H15N1O2 peptide-like 0.00 0.00 011 012 C31H39N5O4 non-polymer 0.20 0.07 012 013 C5H5N1O3S1 non-polymer 0.00 0.00 013 014 C11Cl1F1H6N4O2 non-polymer 0.00 0.00 014 015 C18H24N2O1 peptide-like 0.00 0.00 015 016 C35H41N3O6S1 peptide-like 0.47 0.29 016 017 C27H37N3O7S1 non-polymer 0.00 0.00 017 018 C12F3H9N2O2S1 non-polymer 0.00 0.00 018 019 C9H14N2O2S1 peptide-like 0.00 0.00 019 01A C29Cl1H41N7O17P3S1 non-polymer 1.00 0.40 01A 01B C10H13N1O3 peptide-like 0.00 0.00 01B 01C C13F5H11N2O1 peptide-like 0.00 0.10 01C 01E C31H44I1N5O6 peptide-like 0.50 0.37 01E 01F C3H6O3 non-polymer 0.00 0.00 01F 01G C14H23N6O15P3 non-polymer 1.00 0.26 01G 01H C4H13N3 non-polymer 0.00 0.00 01H 01I C16H8O6 non-polymer 0.00 0.00 01I 01J C20H24N2O4 peptide-like 0.00 0.00 01J 01K C31H53N10O19P3S1 non-polymer 1.00 0.36 01K 01L B1C5H14N1O3 peptide-like 0.56 0.50 01L 01M C7H13N3O2 peptide-like 0.00 0.00 01M 01N C11H19N1O4 D-peptide linking 0.62 0.69 01N 01O C7H12N4 non-polymer 0.00 0.00 01O 01P C24H24N6O2 non-polymer 0.00 0.00 01P 01Q C7H12N4 non-polymer 0.00 0.00 01Q 01R C7H11N3 non-polymer 0.00 0.00 01R 01S C12H22N4O5 peptide-like 0.00 0.00 01S 01T C22H30N2O2 non-polymer 0.38 0.08 01T 01U C7H7N3S1 non-polymer 0.00 0.00 01U 01V C7Cl2H7N1 non-polymer 0.00 0.00 01V 01W C10H12N4O6 L-peptide linking 0.00 0.00 01W 01X C9Cl1H10N1O3 peptide-like 0.00 0.00 01X 01Y C7H12O3 non-polymer 0.00 0.00 01Y 01Z C8H14O3 non-polymer 0.00 0.00 01Z 020 C12F3H9N2O3 non-polymer 0.00 0.00 020 021 C7H13N1O2 peptide-like 0.00 0.00 021 022 C24H22N4O3 non-polymer 0.00 0.00 022 023 C21H33N3O4 non-polymer 0.47 0.71 023 024 Br1C19H20N1O5S1 non-polymer 0.00 0.00 024 025 C7F3H5O3S1 non-polymer 0.00 0.00 025 026 C7H17N3 non-polymer 0.00 0.00 026 027 C20H27N7O1 non-polymer 0.36 0.14 027 028 C7H18O7P2 non-polymer 0.00 0.00 028 029 C9H17N3O2 peptide-like 0.00 0.00 029 02A C4H7N1O2 L-peptide linking 0.00 0.00 02A 02B C10H14O4S1 non-polymer 0.00 0.00 02B 02C C5H8N4S1 non-polymer 0.00 0.00 02C 02D C6H9N3S1 non-polymer 0.00 0.00 02D 02E C17H22N1O5P1 non-polymer 0.75 0.25 02E 02F C5H14N1O4P1 non-polymer 0.56 0.45 02F 02G C7H12O3S1 non-polymer 0.75 0.91 02G 02H C23H27N3O1 non-polymer 0.00 0.00 02H 02I C10H12N5O6P1 DNA linking 0.00 0.00 02I 02J C5H5N1O3 peptide-like 0.00 0.00 02J 02K C7H13N1O2 peptide linking 0.00 0.00 02K 02L C9H18N2O3 L-peptide linking 0.43 0.79 02L 02N C8H11N1 non-polymer 0.00 0.00 02N 02O C9H15N3O3 L-peptide linking 0.38 0.13 02O 02P C21Cl1H26N4O2 peptide-like 0.00 0.00 02P 02Q C10H12O2 non-polymer 0.00 0.00 02Q 02R C7Cl1H8N1 non-polymer 0.00 0.00 02R 02S C14H12O3 non-polymer 0.00 0.00 02S 02T C6H9N1S1 non-polymer 0.00 0.00 02T 02U C17H32O2 non-polymer 0.42 0.32 02U 02V C9H11N1O4 L-peptide linking 0.42 0.64 02V 02W C10H13N3 non-polymer 0.00 0.00 02W 02X C7H12O4 non-polymer 0.71 1.00 02X 02Y C6H10N3O3 L-peptide linking 0.00 0.00 02Y 02Z C10H10N4O1S1 non-polymer 1.00 0.62 02Z 030 C8H12O5 non-polymer 1.00 0.77 030 031 C30H39N3O8S1 non-polymer 0.00 0.00 031 032 C23Cl1F2H18N3O3S1 non-polymer 0.00 0.00 032 033 C26H24N2O6S1 non-polymer 0.59 0.23 033 034 C28Cl2H22N2O4 non-polymer 0.00 0.00 034 035 C7H16O10P2 non-polymer 0.00 0.00 035 036 C7H16O10P2 non-polymer 0.00 0.00 036 037 C8H13N1O2 L-peptide linking 0.00 0.00 037 038 C34H46N10O8 peptide-like 0.00 0.00 038 039 C21Cl1H15N6O2S1 non-polymer 0.00 0.00 039 03A C9H16N2O2 non-polymer 0.35 0.62 03A 03B C47Cl1H50N7O6S2 non-polymer 0.20 0.05 03B 03C C23H26N4O3S1 non-polymer 0.00 0.00 03C 03D C30H49N1O5 non-polymer 0.54 0.61 03D 03E C8H15N1O2 peptide linking 0.00 0.00 03E 03F C42H79N1O8 non-polymer 1.00 0.53 03F 03G C17Cl1H24N3O2 non-polymer 0.00 0.00 03G 03H C6Cl1H11O2 non-polymer 0.00 0.00 03H 03I C25H34N2O6S1 non-polymer 0.46 0.26 03I 03J C19H16O2S1 non-polymer 0.00 0.00 03J 03K C14H14N4O2 non-polymer 0.00 0.00 03K 03L C21Cl3H14N1O3S1 non-polymer 0.00 0.00 03L 03M C20Cl1F2H14N3O2 non-polymer 0.00 0.00 03M 03N C7H16N4 non-polymer 0.00 0.00 03N 03O C15H18N6O3 non-polymer 0.00 0.00 03O 03P C26Cl1F3H25N5O3 non-polymer 0.55 0.16 03P 03Q C22Cl1F3H19N5O3 non-polymer 0.61 0.21 03Q 03R C29F2H26N4O4 non-polymer 1.00 0.23 03R 03S C1H4O3S1 non-polymer 0.00 0.00 03S 03T C8H7N1O2S2 non-polymer 0.00 0.00 03T 03U C20F1H17N2O4 non-polymer 0.97 0.52 03U 03V C10H8O1 non-polymer 0.00 0.00 03V 03W C3H8O4 non-polymer 0.97 1.00 03W 03X C29F1H25N4O5 non-polymer 0.00 0.00 03X 03Y C4H9N1O2S1 L-peptide linking 0.93 0.50 03Y 03Z C16H14N4O3S2 non-polymer 1.00 0.40 03Z 040 C11H10O4 non-polymer 0.94 0.53 040 041 C15F1H10N1O3 non-polymer 0.38 0.10 041 042 C16H26N2O8 non-polymer 0.65 1.00 042 043 Br1C10H7O4 non-polymer 0.94 0.53 043 044 C30F1H27N4O5 non-polymer 0.00 0.00 044 045 C18H32O16 D-saccharide 1.00 1.00 045 046 C28F3H30N7O3 non-polymer 0.00 0.00 046 047 C23H28N2 non-polymer 0.00 0.00 047 048 C24F1H21N2O2 non-polymer 0.00 0.00 048 049 C14H19N1O3 non-polymer 0.00 0.00 049 04A C24H24N6O2S3 non-polymer 0.00 0.00 04A 04B C12H19N1O2 non-polymer 0.70 0.47 04B 04C C31H44N4O7 peptide-like 0.70 0.17 04C 04D C9H21N1O2 non-polymer 0.70 0.58 04D 04E C2H3I1O2 non-polymer 0.00 0.00 04E 04F C7H14N2O5S1 non-polymer 0.00 0.00 04F 04G C12H7N1O3 non-polymer 0.00 0.00 04G 04H C7H16N4 non-polymer 0.00 0.00 04H 04J C19H20N8O5 non-polymer 0.68 0.38 04J 04K C26F1H28N5O3 non-polymer 0.50 0.23 04K 04L C29H23N5O2 non-polymer 0.29 0.14 04L 04M C26H35N1O7S1 non-polymer 0.00 0.00 04M 04N C13H17N1O5 non-polymer 1.00 0.63 04N 04O C15H21N1O5 non-polymer 1.00 0.57 04O 04P C7H15N3O1 non-polymer 0.00 0.00 04P 04Q C9H11N1O2 non-polymer 0.00 0.00 04Q 04R C10F3H11N2O2 peptide linking 0.00 0.00 04R 04S C4H10N2 non-polymer 0.00 0.00 04S 04T C15H15N3O5S1 non-polymer 0.00 0.00 04T 04U C5H9N4O2 L-peptide linking 0.00 0.00 04U 04V C5H10N2O1 L-peptide linking 0.00 0.00 04V 04W C24H31N1O6 non-polymer 0.00 0.00 04W 04X C11H18N2O3 L-peptide linking 0.00 0.00 04X 04Z C17H16N4O4S2 non-polymer 1.00 0.37 04Z 051 C26F1H23N2O7S1 non-polymer 1.00 0.35 051 052 C29H32N6O3 non-polymer 0.00 0.00 052 053 C21F3H15N4O3 non-polymer 0.00 0.00 053 054 C22F3H14N5O4S1 non-polymer 0.00 0.00 054 055 C27Cl1H22N3O4 non-polymer 0.38 0.29 055 056 C15Cl2H12O2S1 non-polymer 0.00 0.00 056 057 C21H22N4O2 non-polymer 0.62 0.30 057 058 C22Cl1F1H15N1O2 non-polymer 0.00 0.00 058 059 C22H31N2O6P1S1 non-polymer 0.00 0.00 059 05B C22H21N5O3 non-polymer 0.00 0.00 05B 05L C13H26O5Se1 non-polymer 1.00 0.58 05L 05N C6H11N1O3 L-peptide linking 0.00 0.00 05N 05R C8Cl2H6O2 non-polymer 0.00 0.00 05R 05S C24H32N4O2 non-polymer 0.00 0.00 05S 05T C8H18N4 non-polymer 0.00 0.00 05T 05U C9H21N1O1 non-polymer 0.00 0.00 05U 05W C9H21N1O2 non-polymer 0.70 0.58 05W 060 C4H9N1O2S1 D-peptide linking 0.00 0.00 060 061 C26H24N6O2 non-polymer 0.00 0.00 061 062 C26Cl1H25N4O4 non-polymer 0.00 0.00 062 064 C28Cl3H22N1O4 non-polymer 0.25 0.06 064 065 C28H36N2O9S1 non-polymer 0.00 0.00 065 066 C27H26N4O5S1 non-polymer 0.50 0.11 066 067 C18H8N4O2Ru1S1 non-polymer 0.00 0.00 067 068 C19H20O4 non-polymer 0.62 0.13 068 069 C7H7N1O3 non-polymer 0.00 0.00 069 06B Br1C9H9O4 non-polymer 0.00 0.00 06B 06C C1H3I1 non-polymer 0.00 0.00 06C 06F C32H35N5O2 non-polymer 0.38 0.05 06F 06H C25H32N4O3 non-polymer 0.00 0.00 06H 06J C26H34N4O2 non-polymer 0.00 0.00 06J 06P C21H27N4O2 peptide-like 0.00 0.00 06P 06R C15F3H9N2O1 non-polymer 0.00 0.00 06R 06S C19H26N7O16P3S3 non-polymer 1.00 0.42 06S 06T C28H39N5O3 non-polymer 0.00 0.00 06T 06U C22H23N5O1 non-polymer 0.00 0.07 06U 06V C21H27N5O2 non-polymer 0.00 0.07 06V 06W C22H23N5O1 non-polymer 0.00 0.07 06W 06X C20Cl1H25N2O5 non-polymer 1.00 0.82 06X 06Y C8H8O3 non-polymer 0.00 0.00 06Y 06Z C16F1H12N3O1S1 non-polymer 1.00 0.45 06Z 070 C18H21N1O2 non-polymer 0.00 0.00 070 071 C23H28N8O2 non-polymer 0.00 0.00 071 072 C37H46N2O4S1 non-polymer 0.00 0.00 072 073 C32F2H28N3O5P1 non-polymer 0.97 0.09 073 074 C18H31N3O6 peptide-like 0.00 0.00 074 075 C40H45N5O9S2 peptide-like 0.50 0.36 075 076 C31H36N2O5 peptide-like 0.48 0.45 076 077 C17H18O3 non-polymer 0.00 0.00 077 078 C18H24N2O2 non-polymer 0.00 0.00 078 079 C31H39N3O5 peptide-like 0.00 0.00 079 07B C10H16O6 non-polymer 1.00 0.88 07B 07E C9H18O6 non-polymer 1.00 1.00 07E 07G C23Cl1F2H21N3O4 non-polymer 0.50 0.21 07G 07H C24H24N4O2 non-polymer 0.00 0.00 07H 07J C26Cl2H31N7O3 non-polymer 0.00 0.00 07J 07K C10H10N2 non-polymer 0.00 0.00 07K 07L C9H6O3 non-polymer 0.00 0.00 07L 07M C16H12N4O2S1 non-polymer 0.00 0.00 07M 07N C15Cl2F1H15N4O3S1 non-polymer 0.00 0.00 07N 07O C12H15N1O3S1 L-peptide linking 0.00 0.00 07O 07P C55H107N1O8 non-polymer 1.00 0.19 07P 07Q C18H18N4O2S1 non-polymer 0.00 0.00 07Q 07R C16H14N4O2S1 non-polymer 0.00 0.00 07R 07S C23H27N7O2S1 non-polymer 0.00 0.00 07S 07T C17H16N4O2S2 non-polymer 0.00 0.00 07T 07U C17H19N5 non-polymer 0.40 0.27 07U 07V C10H14O1 non-polymer 0.38 0.27 07V 07Z C16H12N4O3S1 non-polymer 1.00 0.42 07Z 082 C26H20N4O6 non-polymer 0.00 0.00 082 083 C21H18N6 non-polymer 0.00 0.00 083 084 C28F3H29N6 non-polymer 0.00 0.00 084 085 C22H16N4O3 non-polymer 0.00 0.00 085 087 C17Cl3H18N5O2 non-polymer 0.00 0.00 087 088 C29Cl2H24N2O4 non-polymer 0.00 0.00 088 08B Br1C16H18N5O3 non-polymer 0.00 0.00 08B 08C C15H12N2O2 non-polymer 0.00 0.00 08C 08D C10H11N3O3S1 non-polymer 0.00 0.00 08D 08E C20Cl1H15N4O3 non-polymer 0.00 0.00 08E 08F C27Cl1H23N6O6S2 non-polymer 0.00 0.00 08F 08H C17Cl1H13N4 non-polymer 0.00 0.00 08H 08J C18Cl1F1H13N3 non-polymer 0.00 0.00 08J 08K C17Cl1H14N5 non-polymer 0.00 0.00 08K 08L C36H46N8O8 peptide-like 0.00 0.00 08L 08M C10H14N4O3 L-peptide linking 0.50 0.65 08M 08P C5H7N1O5S1 D-peptide linking 0.86 0.92 08P 08Q C12H20N3O7P1S1 non-polymer 1.00 0.71 08Q 08R C21H30N4O2 non-polymer 0.00 0.00 08R 08S C22Cl1F1H20N4O3S3 non-polymer 0.00 0.00 08S 08T Be1C10F3H14N5O10P2 non-polymer 1.00 0.32 08T 08W C15F3H13N6O5S1 non-polymer 0.50 0.13 08W 08X C38H49N9O7 peptide-like 0.31 0.07 08X 08Y Br1C32H40N5O5 non-polymer 1.00 0.33 08Y 08Z C16H13N5O2S1 non-polymer 1.00 0.42 08Z 090 C18H16N5O3 non-polymer 0.00 0.00 090 091 C11H12N2O1 non-polymer 0.00 0.00 091 092 C13H14N2O3 non-polymer 0.56 0.39 092 093 C14Cl1H16N3O4S2 non-polymer 0.00 0.00 093 094 C24Cl2F2H18N4O1S1 non-polymer 0.00 0.00 094 095 C17H20N2O4 non-polymer 0.00 0.00 095 096 C23H30N4O3S1 non-polymer 0.00 0.00 096 097 C15H29N3O5 non-polymer 0.47 0.87 097 098 C24H29N3O5 non-polymer 0.00 0.00 098 099 C20H22N2O5 non-polymer 0.00 0.00 099 09A C19H18N2O3 non-polymer 0.37 0.42 09A 09B C20H17N3O3 non-polymer 0.37 0.38 09B 09C Br2C20H16N4O1 non-polymer 0.00 0.00 09C 09D Br1C21H19N2O3S1 non-polymer 0.00 0.00 09D 09E Br1C21H19N2O5S1 non-polymer 0.00 0.00 09E 09F C19H21N3O3 non-polymer 0.00 0.00 09F 09G Br1C20H16N3O3 non-polymer 0.37 0.37 09G 09H C22H22N4O2S1 non-polymer 0.00 0.00 09H 09I C20F1H22N7O2 non-polymer 1.00 0.47 09I 09J C24Cl1F1H21N5O2 non-polymer 0.00 0.00 09J 09K C15F3H14N3O2 non-polymer 0.00 0.00 09K 09L C24F1H23N4O3 non-polymer 0.00 0.00 09L 09M C17H18N3O7P1 non-polymer 0.00 0.00 09M 09N C44H83N1O9 non-polymer 1.00 0.56 09N 09O C10H15N3 non-polymer 0.00 0.00 09O 09P C12H19N3O1 non-polymer 0.00 0.00 09P 09Q C16H19N3 non-polymer 0.00 0.00 09Q 09R Br1C10H14N3 non-polymer 0.00 0.00 09R 09S Br1C12H18N3O1 non-polymer 0.00 0.00 09S 09T C16Cl2H14N2 non-polymer 0.00 0.00 09T 09U C5H10O1 non-polymer 0.60 1.00 09U 09V C4H8O1 non-polymer 0.00 0.00 09V 09Z C12H14N4O1S1 non-polymer 1.00 0.72 09Z 0A C10H14N5O7P1 L-RNA linking 1.00 0.43 0A 0A0 C5H9N1O4 L-peptide linking 0.93 1.00 0A0 0A1 C10H13N1O3 L-peptide linking 0.00 0.00 0A1 0A2 B1C9H24N2O3 L-peptide linking 0.62 0.47 0A2 0A3 C14H17N5O6S2 non-polymer 0.50 0.59 0A3 0A4 C14H14N2O5S2 non-polymer 0.00 0.00 0A4 0A5 Br1C4H7O2 non-polymer 0.00 0.00 0A5 0A6 C6H10O5 non-polymer 0.83 1.00 0A6 0A7 C9H8O4 non-polymer 0.00 0.00 0A7 0A8 C6Cl1H11N2O3S1 L-peptide linking 0.00 0.00 0A8 0A9 C10H13N1O2 L-peptide linking 0.56 0.54 0A9 0AA C6H13N1O2 L-peptide linking 0.55 0.89 0AA 0AB C6H9N1O2 L-peptide linking 0.00 0.00 0AB 0AC C12H17N1O3 L-peptide linking 0.00 0.00 0AC 0AD C13H20N5O7P1 DNA linking 1.00 0.35 0AD 0AF C11H12N2O3 L-peptide linking 0.00 0.00 0AF 0AG C9H17N1O4 peptide-like 0.60 0.86 0AG 0AH Br1C5H8N1O4 L-peptide linking 0.83 0.91 0AH 0AI C9H15N1O7 non-polymer 1.00 0.94 0AI 0AJ C5H12S2 non-polymer 0.00 0.00 0AJ 0AK C6Cl1H10N1O4 L-peptide linking 0.84 0.92 0AK 0AL C7H15O10P1 non-polymer 1.00 0.78 0AL 0AM C16H26N5O6P1S2 DNA linking 1.00 0.30 0AM 0AO C13H13N1O1 non-polymer 0.00 0.00 0AO 0AP C9H15N3O10P2 DNA linking 1.00 0.38 0AP 0AR C8H16N4O3 L-peptide linking 0.43 0.93 0AR 0AS C30H48O5 non-polymer 1.00 0.49 0AS 0AT C8H16N1O9P1 D-saccharide 1.00 0.79 0AT 0AU C9H12I1N2O9P1 DNA linking 1.00 0.45 0AU 0AV C11H16N5O7P1 DNA linking 1.00 0.42 0AV 0AY B1C9H23N2O2 peptide-like 0.62 0.50 0AY 0AZ C5H9N1O3 D-peptide linking 0.00 0.00 0AZ 0B1 C21H21N3O2 non-polymer 0.00 0.00 0B1 0B2 C12H23N1O2 non-polymer 0.60 0.47 0B2 0B3 C14H19N3O1 non-polymer 0.00 0.00 0B3 0B4 C15H19N3O1 non-polymer 0.00 0.00 0B4 0B5 C19F5H18N5O3 non-polymer 0.38 0.06 0B5 0B6 C19F2H15N5O2 non-polymer 0.00 0.00 0B6 0BB C21H20N2O3S1 non-polymer 0.00 0.00 0BB 0BC C21H18N6O3S1 non-polymer 0.62 0.10 0BC 0BD C21H40O11 D-saccharide 1.00 0.72 0BD 0BE Be1 non-polymer 0.00 0.00 0BE 0BI C35H45N3O4 non-polymer 0.45 0.14 0BI 0BM C22H34N6O4S1 non-polymer 0.00 0.00 0BM 0BN C10H13N3O2 L-peptide linking 0.00 0.00 0BN 0BP C10H8N2 non-polymer 0.00 0.00 0BP 0BR C20H26N2O2 non-polymer 0.00 0.00 0BR 0BT C17H18I1N2O8P1 non-polymer 1.00 0.31 0BT 0BU C35H26N4O21S6 non-polymer 0.00 0.00 0BU 0BV C16H12O1 non-polymer 0.00 0.00 0BV 0BW C21H25N3O4 non-polymer 0.97 0.14 0BW 0BX C17H14N4O2 non-polymer 0.00 0.00 0BX 0BY C17Cl1H13N4O2 non-polymer 0.00 0.00 0BY 0BZ C17F1H13N4O2 non-polymer 0.00 0.00 0BZ 0C C9H14N3O8P1 L-RNA linking 1.00 0.48 0C 0C0 C23H18N4O2 non-polymer 0.00 0.00 0C0 0C1 C24F2H19N3O5S1 non-polymer 0.50 0.14 0C1 0C2 C25F2H21N3O5S1 non-polymer 0.50 0.14 0C2 0C3 C18F3H13N4O2 non-polymer 0.00 0.00 0C3 0C4 Br1C17H13N4O2 non-polymer 0.00 0.00 0C4 0C5 C18H13N5O2 non-polymer 0.00 0.00 0C5 0C6 C17Cl1F1H12N4O2 non-polymer 1.00 0.32 0C6 0C7 C17Cl1H13N8 non-polymer 0.00 0.00 0C7 0C8 C18F3H13N4O3 non-polymer 0.00 0.00 0C8 0C9 C18H14N4O4 non-polymer 0.00 0.00 0C9 0CA C31H35N5O3 non-polymer 0.00 0.00 0CA 0CB C27H31N5O5S1 non-polymer 0.00 0.00 0CB 0CE C28H28N4O2 non-polymer 0.36 0.12 0CE 0CG C3H6O7P2 non-polymer 0.50 0.25 0CG 0CH C4H12O8P2 non-polymer 0.69 0.43 0CH 0CJ C5H12O8P2 non-polymer 0.00 0.00 0CJ 0CK C19F1H20N5 non-polymer 0.00 0.00 0CK 0CL C3Cl2H6 non-polymer 0.00 0.00 0CL 0CM C4H8O7P2 non-polymer 0.50 0.38 0CM 0CN C4H8O7P2 non-polymer 0.42 0.38 0CN 0CO C28H44O4 non-polymer 0.60 0.19 0CO 0CP C18H24N2O3 non-polymer 0.00 0.00 0CP 0CR C74H74N10O18S1 non-polymer 0.00 0.00 0CR 0CS C3H7N1O5S1 L-peptide linking 0.00 0.00 0CS 0CT C6H5N3 non-polymer 0.00 0.00 0CT 0CU C6Cl2H3N3 non-polymer 0.00 0.00 0CU 0CV C17H21N5O1 non-polymer 0.00 0.00 0CV 0CX C24H34O5 non-polymer 0.00 0.00 0CX 0CZ C15F6H10O2 non-polymer 0.00 0.09 0CZ 0D1 C14Cl2H10O2 non-polymer 0.00 0.11 0D1 0D2 C18H14N4O4 non-polymer 0.00 0.00 0D2 0D3 C15H21N3O3S1 peptide-like 0.00 0.00 0D3 0D6 C28H40N4O4S1 peptide-like 0.00 0.00 0D6 0D8 C3H9N1O1 non-polymer 0.00 0.00 0D8 0DA C10H14N5O6P1 L-DNA linking 1.00 0.41 0DA 0DB C28H32N2O5 peptide-like 0.00 0.00 0DB 0DC C9H14N3O7P1 L-DNA linking 1.00 0.45 0DC 0DF C13H11N3O1 non-polymer 0.00 0.00 0DF 0DG C10H14N5O7P1 L-DNA linking 1.00 0.39 0DG 0DI C20Cl1F2H20N3O2 non-polymer 0.00 0.00 0DI 0DJ C14H12N4O2 non-polymer 0.00 0.00 0DJ 0DN C10F1H13N2O4 non-polymer 1.00 0.53 0DN 0DO C35H46N4O6S1 peptide-like 0.39 0.11 0DO 0DQ C8H7N3S1 non-polymer 0.00 0.00 0DQ 0DS C23H36N4O5 peptide-like 0.00 0.00 0DS 0DT C10H15N2O8P1 L-DNA linking 1.00 0.81 0DT 0DU C24Cl2F3H19N2O4 non-polymer 0.45 0.26 0DU 0DV C26H42O8 non-polymer 1.00 0.35 0DV 0DX C44H66N10O6 non-polymer 0.00 0.00 0DX 0DY C18H27N5O5 peptide-like 0.00 0.00 0DY 0E0 C16H19N1O3 non-polymer 0.67 0.40 0E0 0E1 C12H14N2O2 non-polymer 0.00 0.00 0E1 0E5 C6H13N1O3 L-peptide linking 0.65 1.00 0E5 0E6 C25Cl1H33N5O5 peptide-like 0.43 0.56 0E6 0E7 C28H38N6O6 peptide-like 0.56 0.38 0E7 0E8 C30H45N3O6 peptide-like 0.56 0.26 0E8 0E9 C43H52N4O7 peptide-like 0.00 0.00 0E9 0EA C10H13N1O5 L-peptide linking 0.59 0.56 0EA 0EC C14H19N5O2 non-polymer 0.00 0.00 0EC 0ED C33H47N5O7 peptide-like 0.45 0.33 0ED 0EF C22H32N4O6 peptide-like 0.56 0.16 0EF 0EG B1C17H32N3O6 peptide-like 0.56 0.19 0EG 0EH C10H21N1O2 D-peptide linking 0.93 0.62 0EH 0EJ C8H20O25P6 non-polymer 1.00 0.31 0EJ 0EK C50H77N9O9 peptide-like 0.56 0.07 0EK 0EL C51H78N8O9 peptide-like 0.56 0.07 0EL 0EM C32H52N6O7P1 peptide-like 0.56 0.11 0EM 0EN C26H31N3O3 non-polymer 0.39 0.28 0EN 0EO C34H55N3O8 peptide-like 0.56 0.11 0EO 0ET C32H58N7O17P3S1 non-polymer 1.00 0.38 0ET 0EU C27H36N4O4S1 non-polymer 0.00 0.00 0EU 0EV C26H32N6O1 non-polymer 0.00 0.00 0EV 0EX C26H27N7O1 non-polymer 0.00 0.00 0EX 0EY C12H15N5O6 non-polymer 1.00 0.43 0EY 0EZ C33H48N4O6 peptide-like 0.56 0.12 0EZ 0F0 C28H29N7O2 non-polymer 0.20 0.08 0F0 0F1 C9Cl2H4O2S1 non-polymer 0.00 0.00 0F1 0F2 C24H30N4O3S1 non-polymer 0.00 0.00 0F2 0F3 C6H9N3O4S2 non-polymer 0.00 0.00 0F3 0F4 C27F3H20N5O2 non-polymer 0.00 0.00 0F4 0F5 C20H23N5O2S1 non-polymer 0.00 0.00 0F5 0F7 C25F2H35N3O7 peptide-like 0.56 0.78 0F7 0F9 C9Cl1H7N2O1 non-polymer 0.00 0.00 0F9 0FA C6H15N2O4P1 peptide-like 0.00 0.00 0FA 0FG C22F1H28N3O2 peptide-like 0.00 0.00 0FG 0FI C7H7N1S1 non-polymer 0.00 0.00 0FI 0FK C10H8N2O2 non-polymer 0.00 0.00 0FK 0FL C4H8N2O3 L-peptide linking 0.55 1.00 0FL 0FN C10H5N1O2 non-polymer 0.00 0.00 0FN 0FO Br1C9H5O3 non-polymer 0.00 0.00 0FO 0FP C37H63N7O7 peptide-like 0.50 0.67 0FP 0FQ C29H42N7O17P3S1 non-polymer 1.00 0.40 0FQ 0FR C13H9N1O2 non-polymer 0.00 0.00 0FR 0FS C11F3H6N1O2S1 non-polymer 0.00 0.00 0FS 0FT C13H17N5O6 non-polymer 1.00 0.79 0FT 0FU C4H7N5O1 non-polymer 1.00 0.90 0FU 0FV C10F1H19O7P2 non-polymer 0.50 0.55 0FV 0FW C27H19N1O6 non-polymer 0.00 0.00 0FW 0FX C16H27N3O14P2 non-polymer 1.00 0.80 0FX 0FY C27F1H32N10O1S1 non-polymer 0.00 0.00 0FY 0FZ C16H16N2O3S1 non-polymer 0.00 0.00 0FZ 0G C10H14N5O8P1 L-RNA linking 1.00 0.42 0G 0G0 C12F1H14N5O6 non-polymer 1.00 0.75 0G0 0G1 C25H25N3O2S1 non-polymer 0.00 0.00 0G1 0G2 C24H23N3O1S1 non-polymer 0.00 0.00 0G2 0G4 C8F1H14N4O11P3S1 non-polymer 1.00 0.29 0G4 0G5 C12H15I1N2O3 L-peptide linking 0.50 0.61 0G5 0G6 C21Cl1H34N6O3 peptide-like 0.00 0.00 0G6 0G7 C21Cl1H31N6O3 peptide-like 0.00 0.00 0G7 0G8 C8H13N3O9P2S1 non-polymer 0.00 0.00 0G8 0GA C11H10O6 non-polymer 0.69 0.41 0GA 0GD C21F1H22N3 non-polymer 0.00 0.00 0GD 0GE C26Cl1H38N7O7S1 peptide-like 0.20 0.07 0GE 0GF Br1C8H7O2 non-polymer 0.00 0.00 0GF 0GG C12H16N2O5 D-peptide linking 0.00 0.00 0GG 0GH C35H47N5O6S1 non-polymer 0.40 0.49 0GH 0GJ C14Cl1H28N6O5 peptide-like 0.00 0.00 0GJ 0GM C51H61N5O6 peptide-like 0.00 0.00 0GM 0GO C33H48N4O3 non-polymer 0.00 0.00 0GO 0GQ C41H64N10O6 peptide-like 0.00 0.00 0GQ 0GR C22H25N3O5 peptide-like 0.40 0.50 0GR 0GS Br1C21F3H24N2O3S1 non-polymer 0.38 0.06 0GS 0GT C27F2H34N2O3S1 non-polymer 0.38 0.06 0GT 0GU C30F3H39N2O3S1 non-polymer 0.38 0.05 0GU 0GV C27H44O2 non-polymer 0.00 0.00 0GV 0GX Br1C23F1H28N2O2S1 non-polymer 0.58 0.13 0GX 0GY C7H6O7 non-polymer 0.95 1.00 0GY 0GZ C7H4O6 non-polymer 1.00 1.00 0GZ 0H2 C20H19N3O2Ru1S4 non-polymer 0.00 0.00 0H2 0H3 C23H31N5O4 non-polymer 0.58 0.44 0H3 0H4 C20F3H22N3O2 non-polymer 0.00 0.00 0H4 0H5 C13H13N5O1 non-polymer 0.00 0.00 0H5 0H6 C18F3H19N4O3 non-polymer 0.00 0.00 0H6 0H7 C16Cl2H17N1O1S2 non-polymer 0.00 0.00 0H7 0H8 C19H35N4O8P1 peptide-like 0.00 0.00 0H8 0H9 C10H15N1O4S1 non-polymer 0.00 0.00 0H9 0HD C16H16N4O1 non-polymer 0.00 0.00 0HD 0HG Br1C17H23N3O6S1 peptide-like 0.00 0.00 0HG 0HH C19H35N3O6S1 peptide-like 0.00 0.00 0HH 0HK C19H22N1O4S2 non-polymer 1.00 0.38 0HK 0HL C26H26N4O4S3 non-polymer 0.00 0.00 0HL 0HM C24H24N5O2 non-polymer 0.00 0.00 0HM 0HN C8H6O4 non-polymer 0.00 0.00 0HN 0HO C7H4N2O2S1 non-polymer 0.00 0.00 0HO 0HQ C1H2N2 non-polymer 0.00 0.00 0HQ 0HT C28H48N4O5 peptide-like 0.56 0.43 0HT 0HV C17H12N2O4 non-polymer 0.00 0.00 0HV 0HW C17H26N2O7 peptide-like 0.65 0.31 0HW 0HX C13H21N1O6 non-polymer 1.00 0.75 0HX 0HY C11H13N5O4 non-polymer 0.62 0.30 0HY 0HZ C11H20N5O2 peptide-like 0.00 0.00 0HZ 0I5 C22F1H32N3O4 peptide-like 0.00 0.00 0I5 0IN C15H12N2O1 non-polymer 0.00 0.00 0IN 0IT C20H31N6O5S1 peptide-like 0.36 0.28 0IT 0IU C34H53N5O5S1 non-polymer 0.54 0.47 0IU 0IV C23H34N6O5S1 peptide-like 0.00 0.00 0IV 0IW C32H40N4O4S1 peptide-like 0.00 0.00 0IW 0J0 C22H28N5O2 non-polymer 0.00 0.00 0J0 0J2 C10H11N5O4 non-polymer 0.00 0.00 0J2 0J3 C22F3H22N5O2 non-polymer 0.00 0.00 0J3 0J4 C9H9N5O4 non-polymer 0.41 0.44 0J4 0J5 C8H7N5O4 non-polymer 0.00 0.00 0J5 0J6 C15H11N7O1 non-polymer 0.00 0.00 0J6 0J7 C18H13N7O1 non-polymer 0.00 0.00 0J7 0J8 C23F3H21N8O2 non-polymer 0.00 0.00 0J8 0J9 C19H19N5 non-polymer 0.39 0.21 0J9 0JA C27Cl1F1H19N5O3S1 non-polymer 0.00 0.00 0JA 0JB C15H11N7O1 non-polymer 0.00 0.00 0JB 0JC C4H16I2N4Pt2 non-polymer 0.00 0.00 0JC 0JD C9H8O4 non-polymer 0.00 0.00 0JD 0JE C17F1H21N6O2 non-polymer 0.00 0.00 0JE 0JF C27H33N5O4 non-polymer 0.00 0.00 0JF 0JG C21H21N5O3 non-polymer 0.75 0.38 0JG 0JH C24H29N5O3 non-polymer 0.56 0.31 0JH 0JJ C19H16N8O1S1 non-polymer 0.00 0.00 0JJ 0JK C21H17N5O1 non-polymer 0.00 0.00 0JK 0JL C23H22N6O3S1 non-polymer 0.75 0.15 0JL 0JM C17H20N2O6S1 non-polymer 0.00 0.00 0JM 0JN C20H21N5 non-polymer 0.39 0.20 0JN 0JO C11H13N2O7P1 non-polymer 0.93 0.29 0JO 0JP C16H15N3O2S1 non-polymer 0.00 0.00 0JP 0JQ C24H30N4O3 non-polymer 0.58 0.23 0JQ 0JR C15H23N3O4 non-polymer 0.65 0.45 0JR 0JT C7H15N1O2 peptide-like 0.00 0.00 0JT 0JU C5H11N3O1 non-polymer 0.00 0.00 0JU 0JV C31H43N3O9S1 non-polymer 0.00 0.00 0JV 0JW C10H10N2O3 non-polymer 0.40 0.27 0JW 0JX C4H10O8P2 non-polymer 0.69 0.43 0JX 0JY C7H15N1O2 non-polymer 0.44 0.70 0JY 0JZ C24H30N6O3Se3 non-polymer 0.00 0.00 0JZ 0K0 C18H24N6O3S1 non-polymer 0.00 0.00 0K0 0K1 C25H28N6O2 non-polymer 0.00 0.00 0K1 0K2 C4H10O8P2 non-polymer 0.69 0.43 0K2 0K3 C40H67O4P1 non-polymer 0.62 0.91 0K3 0K5 C23H22N3O8P1 non-polymer 0.00 0.00 0K5 0K6 C23H30N8O2 non-polymer 0.00 0.00 0K6 0K7 C11H9N1O2S1 non-polymer 0.00 0.00 0K7 0K9 C33H44N4O4S1 non-polymer 0.61 0.26 0K9 0KA AG1FE3S4 non-polymer 0.00 0.00 0KA 0KB C15F3H13N1O5P1 non-polymer 0.00 0.00 0KB 0KC C13H18N1O5P1 non-polymer 0.00 0.00 0KC 0KD C16H11N5O1S1 non-polymer 0.00 0.00 0KD 0KE C18H20N3O8P1 non-polymer 0.00 0.00 0KE 0KF C22H21N7O3 non-polymer 0.00 0.00 0KF 0KG C14H20N1O5P1 non-polymer 0.00 0.00 0KG 0KH C14Cl2H12N1O5P1 non-polymer 0.00 0.00 0KH 0KJ C28H36N4O6S2 non-polymer 0.00 0.00 0KJ 0KK C16H15N3O1 non-polymer 0.00 0.00 0KK 0KL C14H22N3O14P3 non-polymer 1.00 0.26 0KL 0KM C23H21N3O2 non-polymer 0.00 0.00 0KM 0KN C31H43N3O6 non-polymer 0.61 0.28 0KN 0KO C21H27N9O3S1 non-polymer 0.00 0.00 0KO 0KP C21H18N4O1 non-polymer 0.00 0.00 0KP 0KQ C18Cl1H17N4O1 non-polymer 0.00 0.00 0KQ 0KR C21H20N4O1 non-polymer 0.38 0.08 0KR 0KS C16F6H13N1O3S1 non-polymer 0.21 0.26 0KS 0KT C22F3H23N2O4S1 non-polymer 0.50 0.16 0KT 0KU C19Cl1H23N4O3S1 non-polymer 0.00 0.00 0KU 0KV C23H34N6O5S1 peptide-like 0.00 0.00 0KV 0KW C20Cl1H25N4O3S1 non-polymer 0.00 0.00 0KW 0KX C9H17N4O12P3 non-polymer 1.00 0.32 0KX 0KY C10H14N4O2S1 non-polymer 0.50 0.41 0KY 0KZ C12H17N2O7P1 DNA linking 1.00 0.82 0KZ 0L0 C25H26N3O8P1 non-polymer 0.00 0.00 0L0 0L1 C6H10O4 non-polymer 0.00 0.00 0L1 0L3 C26H42N5O14P3 non-polymer 1.00 0.19 0L3 0L4 C16H24N5O12P3 non-polymer 1.00 0.25 0L4 0L5 C24H40N3O16P3 non-polymer 1.00 0.20 0L5 0L6 C14H25N4O13P3 non-polymer 1.00 0.26 0L6 0L7 C16H24N5O13P3 non-polymer 1.00 0.24 0L7 0L8 Br1C17H13O3 non-polymer 0.00 0.00 0L8 0L9 Br1C19Cl1H15N1O3 non-polymer 0.46 0.36 0L9 0LA C15Cl1H12N1O2 non-polymer 0.46 0.42 0LA 0LB C22F1H27N4O2 non-polymer 0.00 0.00 0LB 0LC C23F1H25N4O2 non-polymer 0.00 0.00 0LC 0LD C20H20N5O7P1 non-polymer 0.00 0.00 0LD 0LF C15H21N1O3 L-peptide linking 0.00 0.00 0LF 0LG C35H44N4O6S1 non-polymer 0.20 0.09 0LG 0LH C10H12N2 non-polymer 0.00 0.00 0LH 0LI C29F3H27N6O1 non-polymer 0.00 0.05 0LI 0LJ C18Cl1F1H17N5O2 non-polymer 0.00 0.00 0LJ 0LK C18Cl1F1H17N5O2 non-polymer 0.00 0.00 0LK 0LL C17Cl1F1H15N3O2 non-polymer 0.00 0.00 0LL 0LM C18Cl1F1H25N3O2 non-polymer 0.00 0.00 0LM 0LN C32H38N4O5S1 non-polymer 0.00 0.00 0LN 0LO C12H9N1O2 non-polymer 0.00 0.00 0LO 0LP C20H25N1O8 non-polymer 1.00 0.76 0LP 0LQ C32H29N3O2 non-polymer 0.00 0.00 0LQ 0LR C22H23N1O1 non-polymer 0.00 0.00 0LR 0LS C24Cl1H25N2 non-polymer 0.00 0.00 0LS 0LT C27H38N2O4 non-polymer 0.83 0.33 0LT 0LU C20H23N1O1S1 non-polymer 0.00 0.00 0LU 0LV C11H14O2 non-polymer 0.00 0.00 0LV 0LW C20H23N1O1S1 non-polymer 0.00 0.00 0LW 0LX C22F2H28N2O3 non-polymer 0.00 0.00 0LX 0LY Br1C17H24N3O2 non-polymer 0.00 0.00 0LY 0LZ C18Cl1F1H17N3O2 non-polymer 0.00 0.00 0LZ 0M1 C15Cl1F1H19N3O4 non-polymer 0.00 0.00 0M1 0M2 C19H20N2O1 non-polymer 0.00 0.00 0M2 0M3 C27H31N3O3S1 non-polymer 0.00 0.00 0M3 0M4 C16Cl1F1H19N3O2 non-polymer 0.00 0.00 0M4 0M5 C16Cl1F1H19N3O2 non-polymer 0.00 0.00 0M5 0M6 C17H27N3O3S1 non-polymer 0.61 0.29 0M6 0M7 C7H19N1O6P2 non-polymer 0.00 0.00 0M7 0M8 C9H23N1O6P2 non-polymer 0.00 0.00 0M8 0M9 C5H15N1O6P2 non-polymer 0.00 0.00 0M9 0MA C30H46O4 non-polymer 0.00 0.00 0MA 0MB C13H16N4S1 non-polymer 0.00 0.00 0MB 0MC C35H45N1O10 non-polymer 0.45 0.20 0MC 0MD C35H45N1O10 non-polymer 0.45 0.20 0MD 0ME C20H22N2O2 non-polymer 0.00 0.00 0ME 0MF C27Cl1H24N5O7 non-polymer 0.00 0.00 0MF 0MG C7H15N4O3 peptide-like 0.56 0.57 0MG 0MH C27Cl1H24N5O6S1 non-polymer 0.00 0.00 0MH 0MJ C27H29N3O4S1 non-polymer 0.00 0.00 0MJ 0MK C5H10O5 L-saccharide 1.00 1.00 0MK 0ML C11H15I1N2O2 peptide-like 0.50 0.50 0ML 0MM C20Cl2H17N5O4 non-polymer 0.00 0.00 0MM 0MN C22H18N2O3S1 non-polymer 0.00 0.00 0MN 0MO C15H22N2O3 non-polymer 0.00 0.00 0MO 0MP C28F1H38N3O3 non-polymer 0.38 0.06 0MP 0MQ C8H19N1O6P2 non-polymer 0.00 0.00 0MQ 0MR C28Cl1H25N6O6 non-polymer 0.00 0.00 0MR 0MS Br1C21Cl1H20N4O2 non-polymer 0.00 0.00 0MS 0MT C24H16N4O5 non-polymer 0.00 0.00 0MT 0MU C16H23N3O8S1 D-peptide linking 0.50 0.29 0MU 0MV C18H15N3O2 non-polymer 0.00 0.00 0MV 0MW C8H21N1O6P2 non-polymer 0.00 0.00 0MW 0MX C24Cl1H17N4O4S1 non-polymer 0.00 0.00 0MX 0MY C19Cl1H15N4O2S1 non-polymer 0.00 0.00 0MY 0MZ C19F3H15N4O3S1 non-polymer 0.00 0.00 0MZ 0N0 C32H39N3O5S1 non-polymer 0.56 0.12 0N0 0N1 C34H41N3O4 non-polymer 0.00 0.00 0N1 0N2 C16H27N3O13P2 non-polymer 1.00 0.79 0N2 0N3 B1C9H12N1O6S1 non-polymer 0.00 0.00 0N3 0N4 B1C8H10N5O4S1 non-polymer 0.00 0.00 0N4 0N5 C22H18N4O3 non-polymer 0.00 0.00 0N5 0N6 C23H26N4O3S1 non-polymer 0.00 0.00 0N6 0N7 C9H7N1O3 non-polymer 0.00 0.00 0N7 0N8 C23Cl1H24N1O4 non-polymer 0.95 0.41 0N8 0N9 C9H8N4O4 non-polymer 1.00 0.82 0N9 0NA B1C7H9N6O4S1 non-polymer 0.00 0.00 0NA 0NB B1C8Cl1H9N5O4S1 non-polymer 0.00 0.00 0NB 0NC C4H10N2O1 L-peptide NH3 amino terminus 0.45 1.00 0NC 0ND B1C8Cl1H9N5O4S1 non-polymer 0.00 0.00 0ND 0NE B1C9F3H9N5O4S1 non-polymer 0.00 0.00 0NE 0NF C29F3H29N4O3 non-polymer 0.38 0.05 0NF 0NG B1C2Cl1H7N1O4S1 non-polymer 0.00 0.00 0NG 0NH C15H19N5O2S1 non-polymer 0.00 0.00 0NH 0NJ C14F1H10N1O1S1 non-polymer 0.00 0.00 0NJ 0NK C16H23N3O3 non-polymer 0.00 0.00 0NK 0NL C18H23N5O2 non-polymer 0.56 0.20 0NL 0NM C1H1N1O1 non-polymer 0.00 0.00 0NM 0NN C27H35N3O2 non-polymer 0.00 0.00 0NN 0NP C9F1H11N5O4 non-polymer 1.00 0.47 0NP 0NQ C24H37N4O6P1S1 non-polymer 0.38 0.17 0NQ 0NR C34H34N4O4 non-polymer 0.97 0.10 0NR 0NS C16H17N3O4S1 non-polymer 0.00 0.00 0NS 0NT C21H28N6O1 non-polymer 0.36 0.14 0NT 0NU C16H16N6O1 non-polymer 0.00 0.00 0NU 0NV C20H21N5 non-polymer 0.00 0.00 0NV 0NW C29Cl2H33N5O3S1 non-polymer 0.00 0.00 0NW 0NX C10H9N1O2 non-polymer 0.00 0.00 0NX 0NY C17H21N5O2 non-polymer 0.00 0.00 0NY 0NZ C6H13O8P1 saccharide 1.00 0.73 0NZ 0O1 C25H31N7O1 non-polymer 0.00 0.00 0O1 0O2 C10H18N5O20P5 non-polymer 1.00 0.25 0O2 0O3 C5H12O8P2 non-polymer 0.65 0.47 0O3 0O4 C22H23N3O2 non-polymer 0.00 0.00 0O4 0O5 C23H25N3O2 non-polymer 0.00 0.00 0O5 0O6 C64H88N14O8 non-polymer 0.00 0.00 0O6 0O7 C18H17N3O2S1 non-polymer 0.00 0.00 0O7 0O8 C25H53N1O4P1 non-polymer 0.00 0.00 0O8 0O9 C32H65O10P1 non-polymer 1.00 0.58 0O9 0OA C35H69O10P1 non-polymer 1.00 0.46 0OA 0OB C11H10O2S1 non-polymer 0.00 0.00 0OB 0OC C6H9N1O2S2 non-polymer 0.00 0.00 0OC 0OD C21Cl3H32N3O2Rh1S1 non-polymer 0.00 0.00 0OD 0OE C29Cl1H23N6O2 non-polymer 0.00 0.00 0OE 0OF C29F3H22N3O3 non-polymer 0.00 0.00 0OF 0OG C30H25N5O5 non-polymer 0.00 0.00 0OG 0OH C12H18N5O11P3 non-polymer 1.00 0.32 0OH 0OJ C12H18N5O11P3 non-polymer 1.00 0.32 0OJ 0OK C14H10N2O1 non-polymer 0.00 0.00 0OK 0OL C12H15N1O1 non-polymer 0.00 0.00 0OL 0OM C13H11N1O2 non-polymer 0.40 0.44 0OM 0ON C12H10N2O1 non-polymer 0.00 0.00 0ON 0OO C13H12O2 non-polymer 0.00 0.00 0OO 0OP C14H14O2 non-polymer 0.00 0.00 0OP 0OQ C19F3H17N2O2 non-polymer 0.00 0.00 0OQ 0OR C9H20N2O10P2 non-polymer 0.62 0.43 0OR 0OS C31Cl2H33N1O9S1 non-polymer 0.00 0.00 0OS 0OT Br2C21H23N3O2 non-polymer 0.00 0.00 0OT 0OU C19Cl2H19N3O1 non-polymer 0.00 0.00 0OU 0OV C16H19N5O2 non-polymer 0.00 0.00 0OV 0OW C15H22N4O4 non-polymer 1.00 0.52 0OW 0OX C10H14N4O2 non-polymer 1.00 0.69 0OX 0OY C11H13N1O3 non-polymer 0.00 0.00 0OY 0P0 C10H18N3O6S1 peptide-like 0.00 0.00 0P0 0P1 C29H40N3O9P1 peptide-like 0.75 0.55 0P1 0P2 B1C16H25N2O5 peptide-like 0.00 0.00 0P2 0P4 C17Cl2H18N4 non-polymer 0.00 0.00 0P4 0P5 C23Cl1H22N7O3 non-polymer 1.00 0.26 0P5 0P6 C9H8N2O1 non-polymer 0.00 0.00 0P6 0P8 Br2C20H21N3O2 non-polymer 0.00 0.00 0P8 0PA C7H12O2 non-polymer 0.00 0.00 0PA 0PC C21Cl1H23N2O4 peptide-like 0.00 0.00 0PC 0PF C20H21N3O2S1 non-polymer 0.00 0.00 0PF 0PI C21H33N2O8P1 peptide-like 0.50 0.72 0PI 0PJ C21H34N3O7P1 peptide-like 0.40 0.72 0PJ 0PK C25H34N3O7P1 peptide-like 0.64 0.67 0PK 0PL C24Cl1H23N4O4S1 non-polymer 0.00 0.00 0PL 0PO C41H52N6O4S1 peptide-like 0.39 0.10 0PO 0PP C37H51N5O6 peptide-like 0.50 0.29 0PP 0PQ C27H31N2O5P1 peptide-like 0.00 0.00 0PQ 0PR C17H21N2O8P1 L-peptide linking 0.00 0.00 0PR 0PX C34H51N5O5 peptide-like 0.38 0.05 0PX 0PY C5H5N1 non-polymer 0.00 0.00 0PY 0PZ C6H12O1 non-polymer 0.00 0.00 0PZ 0Q1 C20H19N1O2 non-polymer 0.00 0.00 0Q1 0Q2 C15H18N4O1 non-polymer 0.00 0.00 0Q2 0Q4 C40H70N11O8 peptide-like 0.00 0.00 0Q4 0Q5 C36H44N4O5S1Si1 non-polymer 0.00 0.00 0Q5 0QA C10H13N3O2 non-polymer 0.50 0.47 0QA 0QB C36H54N6O5S1 non-polymer 0.36 0.23 0QB 0QE C1Cl1H3 non-polymer 0.00 0.00 0QE 0QF C31H52N4O7S2 peptide-like 0.54 0.20 0QF 0QG C17H31N3O4 peptide-like 0.58 0.54 0QG 0QH C27F3H36N4O3 peptide-like 0.44 0.30 0QH 0QI C17H25N1O4S1 peptide-like 0.00 0.00 0QI 0QJ C25H36N8O4 non-polymer 1.00 0.38 0QJ 0QK C28H41N7O4 non-polymer 1.00 0.44 0QK 0QL C5H12N2O2S2 L-peptide linking 0.00 0.00 0QL 0QN C17F6H19N3O3 peptide-like 0.00 0.00 0QN 0QR C11F1H10N3O2S1 non-polymer 0.00 0.00 0QR 0QS C36F2H56N7O8S1 peptide-like 0.38 0.04 0QS 0QV C14H16N2O1S1 non-polymer 0.00 0.00 0QV 0QW C11H13N1O1S1 non-polymer 0.00 0.00 0QW 0QX C15H12N4 non-polymer 0.00 0.00 0QX 0QY C21H21N5O1 non-polymer 0.00 0.00 0QY 0QZ C3H7N1O3 D-peptide linking 0.00 0.00 0QZ 0R0 C7H5N1O1 non-polymer 0.00 0.00 0R0 0R1 C7H5N1O1 non-polymer 0.00 0.00 0R1 0R2 C27Cl2H31N1O5 non-polymer 0.56 0.31 0R2 0R3 C25Cl2H29N1O4 non-polymer 0.00 0.00 0R3 0R4 C33F1H26N7O2 non-polymer 0.00 0.00 0R4 0R5 C19H19N2O14P3 non-polymer 1.00 0.24 0R5 0R6 C19H20N3O13P3 non-polymer 1.00 0.24 0R6 0R7 C19H20N3O12P3 non-polymer 0.00 0.05 0R7 0R8 C19H18N3O6P1 DNA linking 0.00 0.07 0R8 0R9 C20F3H15N6O3 non-polymer 0.50 0.16 0R9 0RA C16H14N2O2 non-polymer 0.00 0.00 0RA 0RB C10H9N9O2 non-polymer 0.00 0.00 0RB 0RC C11H20N4O10P2 non-polymer 1.00 0.37 0RC 0RD C24Cl1H21N2O6S1 non-polymer 0.00 0.00 0RD 0RE C6H14O2 non-polymer 0.00 0.00 0RE 0RF C24Cl1H32N5O2 non-polymer 0.36 0.12 0RF 0RJ C4H8N2O3 L-peptide linking 0.55 1.00 0RJ 0RK C24Cl2H20N2O6S1 non-polymer 0.00 0.00 0RK 0RM C17H22N2O7S1 non-polymer 0.45 0.33 0RM 0RN C8H11N1O5S1 non-polymer 0.00 0.00 0RN 0RO C18H25N5S2 non-polymer 0.00 0.00 0RO 0RP C26F9H25N2O4 non-polymer 0.00 0.00 0RP 0RQ C24H40N7O17P3 non-polymer 1.00 0.45 0RQ 0RR C21Cl3H13N2O4S2 non-polymer 0.00 0.00 0RR 0RS C28H27N7O1 non-polymer 0.20 0.08 0RS 0RT C17F3H20N5S2 non-polymer 0.00 0.00 0RT 0RU C14H12N4O1S1 non-polymer 0.00 0.00 0RU 0RV C17H25N3O6S1 non-polymer 0.54 0.37 0RV 0RW C8H8N2 non-polymer 0.00 0.00 0RW 0RX C21H20N4O3 non-polymer 0.00 0.00 0RX 0RY C11H10N2O4 non-polymer 0.58 0.47 0RY 0RZ C11H10N2O4 non-polymer 0.50 0.47 0RZ 0S0 C11H10N4O4S1 non-polymer 1.00 0.45 0S0 0S1 C14H19N1O3S1 non-polymer 0.38 0.21 0S1 0S2 C22H31N1O3S1 non-polymer 0.38 0.22 0S2 0S3 C21H30N2O3S1 non-polymer 0.38 0.07 0S3 0S4 C27H39N1O5 non-polymer 0.67 0.15 0S4 0S5 C22H29N3O5 non-polymer 0.00 0.00 0S5 0S6 C20Cl1H19N4O2S1 non-polymer 0.62 0.21 0S6 0S7 Br1C15H16N7 non-polymer 0.00 0.00 0S7 0S8 Br1C16H20N7O2 non-polymer 0.56 0.19 0S8 0S9 Br1C20H20N7O1 non-polymer 0.00 0.00 0S9 0SA C23H44O10S1 non-polymer 1.00 0.65 0SA 0SB C21F3H20N5 non-polymer 0.00 0.00 0SB 0SC C28F1H33N6O2 non-polymer 0.58 0.19 0SC 0SD C27H33N7O2 non-polymer 0.58 0.19 0SD 0SE C24H32N8O2 non-polymer 0.58 0.21 0SE 0SF C24Cl1F7H21N3O3 non-polymer 0.00 0.00 0SF 0SG C36H69N1O14S2 non-polymer 1.00 0.40 0SG 0SH C40H79N1O9 non-polymer 1.00 0.42 0SH 0SJ C18Cl1H17N2O2 non-polymer 0.00 0.00 0SJ 0SK C17F3H18N3O4S1 non-polymer 0.00 0.00 0SK 0SL C16H17N1O4S1 non-polymer 0.00 0.00 0SL 0SM C27H58N2O6P1 non-polymer 0.67 0.42 0SM 0SN C25H27N3O6S1 non-polymer 0.65 0.26 0SN 0SO C23H35N5O3 non-polymer 0.56 0.29 0SO 0SP C16H26N5O6P1S2 DNA linking 1.00 0.30 0SP 0SQ C15H20N4O1 non-polymer 0.38 0.10 0SQ 0SR C22H33N5O2 non-polymer 0.38 0.07 0SR 0SS C36H49N9O2 non-polymer 0.38 0.13 0SS 0ST C21H31N5O2 non-polymer 0.38 0.07 0ST 0SU C17H24N4O2 non-polymer 0.38 0.09 0SU 0SV C20H30N4O2 non-polymer 0.38 0.08 0SV 0SW C16H15N3 non-polymer 0.00 0.00 0SW 0SX C14Cl1H12N3O2 non-polymer 0.00 0.00 0SX 0SY C12H11N3O1 non-polymer 0.00 0.00 0SY 0SZ C16H15N1O4S1 non-polymer 0.00 0.00 0SZ 0T0 C17H18N2O3S1 non-polymer 0.50 0.17 0T0 0T1 C22H38N7O16P3 non-polymer 1.00 0.48 0T1 0T2 C28Cl1F1H24N6O3S1 non-polymer 0.50 0.12 0T2 0T3 C14H13N3 non-polymer 0.00 0.00 0T3 0T4 C16F3H15N2O2 non-polymer 0.31 0.35 0T4 0T5 C16F3H13N2O3 non-polymer 0.31 0.33 0T5 0T6 C18Cl1H15N4O2 non-polymer 0.00 0.00 0T6 0T7 C25H24N4O1 non-polymer 0.00 0.00 0T7 0T8 C24H33N7O2 non-polymer 1.00 0.33 0T8 0T9 C28H44O3 non-polymer 0.00 0.00 0T9 0TA C16H18N6O1 non-polymer 0.00 0.00 0TA 0TB C18F1H19N6O2 non-polymer 0.00 0.00 0TB 0TD C5H9N1O4S1 L-peptide linking 0.84 0.82 0TD 0TE C13Cl1Cu1H11N4S2 non-polymer 0.00 0.00 0TE 0TF C11H24N4O3 non-polymer 0.00 0.00 0TF 0TH C7H15N1O5S1 D-peptide linking 0.72 0.57 0TH 0TI C8F1H6N1O2 non-polymer 0.00 0.00 0TI 0TJ Br4C15H15N3O2 non-polymer 0.00 0.00 0TJ 0TK C5H13N2O5P1 non-polymer 0.00 0.00 0TK 0TM C19Cl1H18N5O3S1 non-polymer 0.20 0.10 0TM 0TN C42H26N8Ru1 non-polymer 0.00 0.00 0TN 0TO C16Cl1H14N3O2 non-polymer 0.00 0.00 0TO 0TP C19H20N4O2S1 non-polymer 0.50 0.15 0TP 0TQ C32H42N4O8S1 non-polymer 0.38 0.04 0TQ 0TR C7H6O2 non-polymer 0.00 0.00 0TR 0TS C30H52O23S3 D-saccharide 1,4 and 1,4 linking 1.00 0.95 0TS 0TT C20H28N4O10 non-polymer 1.00 0.82 0TT 0TU C9Cl1H6N1O1 non-polymer 0.00 0.00 0TU 0TX C18Cl1H26N3 non-polymer 0.00 0.00 0TX 0TZ C14H13N9 non-polymer 0.00 0.00 0TZ 0U C9H13N2O9P1 L-RNA linking 1.00 0.48 0U 0U0 C18H15N11 non-polymer 0.00 0.00 0U0 0U1 C10H15N2O8P1Se1 L-RNA linking 1.00 0.41 0U1 0U3 C27H39N1O5 non-polymer 0.67 0.15 0U3 0U4 C42H53N5O5S1 non-polymer 0.31 0.15 0U4 0U5 C31H36N6O3 non-polymer 0.38 0.05 0U5 0U6 C30H34N6O3 non-polymer 0.38 0.05 0U6 0U7 C14Cl2F1H7N2O3S1 non-polymer 0.00 0.00 0U7 0U8 C12H20O10 non-polymer 1.00 0.55 0U8 0U9 C18F4H14N2O4S1 non-polymer 0.00 0.00 0U9 0UA C14Cl2F1H7N2O4S1 non-polymer 0.00 0.00 0UA 0UB C18H32O16 non-polymer 1.00 1.00 0UB 0UC Br1C14Cl2F1H6N2O4S1 non-polymer 0.00 0.00 0UC 0UE C25Fe1H45N6O8 non-polymer 0.00 0.00 0UE 0UF C26H33N3O6S2 non-polymer 1.00 0.27 0UF 0UH C10H14N5O7P1 DNA linking 1.00 0.39 0UH 0UJ C17H21N5O2S1 non-polymer 0.00 0.00 0UJ 0UK C45H62N4O14 non-polymer 0.00 0.00 0UK 0UL C11H9N5 non-polymer 0.00 0.00 0UL 0UM C18H29N7O5 non-polymer 1.00 0.33 0UM 0UN C25Cl1H27N6O3 non-polymer 0.38 0.14 0UN 0UO C12H14N2O3 peptide-like 0.00 0.00 0UO 0UP C24F1H32N3O4S1 non-polymer 0.58 0.12 0UP 0UQ C24F1H32N3O3S1 non-polymer 0.58 0.12 0UQ 0US C30H39N5O4S1 non-polymer 0.36 0.10 0US 0UT C14H12O3 non-polymer 0.00 0.00 0UT 0UU C28H34N4O3 non-polymer 0.60 0.20 0UU 0UV C33F1H44N5O3 non-polymer 0.58 0.26 0UV 0UX C23H31N7O1 non-polymer 0.00 0.00 0UX 0UZ C8Cl1H8N1O3 D-peptide linking 0.00 0.00 0UZ 0V0 C21H21N2O2 non-polymer 0.50 0.12 0V0 0V2 C33H35N7O1 non-polymer 0.00 0.05 0V2 0V3 C26H30N8O1 non-polymer 0.00 0.06 0V3 0V4 C27H44O8 D-saccharide 1.00 0.51 0V4 0V5 C3H7O6P1 non-polymer 0.98 0.60 0V5 0V6 C18Cl1H17N4O1S1 non-polymer 0.38 0.08 0V6 0V7 C9F1H12N1O3S1 non-polymer 0.00 0.00 0V7 0V8 Br1C9H12N1O3S1 non-polymer 0.00 0.00 0V8 0VA C20Cl2H19N5O2S1 non-polymer 0.20 0.13 0VA 0VB C23Cl1H24N5O3S1 non-polymer 0.20 0.12 0VB 0VC C15H22N2O2 non-polymer 0.62 0.26 0VC 0VD C20H21N3O2 non-polymer 0.00 0.00 0VD 0VE C22H23N5O2 non-polymer 0.44 0.21 0VE 0VF C25H24N6O5S1 non-polymer 0.00 0.00 0VF 0VG C22H22N6 non-polymer 0.00 0.00 0VG 0VH C18H25N7O1 non-polymer 1.00 0.42 0VH 0VJ C18H14O4 non-polymer 0.00 0.00 0VJ 0VK C30H38O4 non-polymer 0.00 0.00 0VK 0VM C20F3H12N5O1 non-polymer 0.00 0.00 0VM 0VN C18H18N4 non-polymer 0.38 0.09 0VN 0VO C26H34O4 non-polymer 0.36 0.27 0VO 0VP C31H40O4 non-polymer 0.00 0.00 0VP 0VQ C25F6H26O3 non-polymer 0.25 0.18 0VQ 0VR C12H18N1O9P1 non-polymer 1.00 0.43 0VR 0VS C21H23N3O8S1 non-polymer 0.00 0.00 0VS 0VT C8H14O1 non-polymer 0.38 0.56 0VT 0VU C22H23N5O3S1 non-polymer 0.00 0.00 0VU 0VV C8H10N4O2S1 non-polymer 0.00 0.00 0VV 0VW C4H10N4O2S1 non-polymer 0.00 0.00 0VW 0VX C3H7N3O3S1 non-polymer 0.00 0.00 0VX 0VY C5H12N4O2S1 non-polymer 0.00 0.00 0VY 0VZ C6H11N3O4S2 non-polymer 0.55 0.53 0VZ 0W0 C22H24N8O13S2 non-polymer 0.81 0.44 0W0 0W1 C8H8N2O2S1 non-polymer 0.00 0.00 0W1 0W2 C29Cl1F1H34N4O2 non-polymer 0.00 0.00 0W2 0W3 C41H72O9 non-polymer 0.36 0.14 0W3 0W5 C13H22O2 non-polymer 0.50 0.60 0W5 0W6 C5H11N1O2 L-peptide linking 0.00 0.00 0W6 0W7 C16H18N4O3 non-polymer 0.00 0.00 0W7 0W8 C9H10N2O1 non-polymer 0.00 0.00 0W8 0WA C14F1H10N3O1S1 non-polymer 0.00 0.00 0WA 0WB C16F1H10N3O1S1 non-polymer 0.00 0.00 0WB 0WC C19Cl1H16N5O1S1 non-polymer 0.33 0.22 0WC 0WD C21H30N7O17P3 non-polymer 1.00 0.48 0WD 0WE C22H23N3O3 non-polymer 0.00 0.00 0WE 0WF C21H25N5O2 non-polymer 0.00 0.00 0WF 0WG Br1C16H16N5O2 non-polymer 0.00 0.00 0WG 0WH C24F3H20N5O1 non-polymer 0.00 0.00 0WH 0WK C6H13O8P1 non-polymer 1.00 0.73 0WK 0WL C19H23N7O1 non-polymer 0.00 0.00 0WL 0WM C24Cl1F1H25N5O3 non-polymer 0.43 0.12 0WM 0WN C24Cl1F1H27N5O3 non-polymer 0.20 0.09 0WN 0WO C19H21N3O6S1 non-polymer 0.45 0.31 0WO 0WP C25F2H20N6O3 non-polymer 0.38 0.06 0WP 0WR C28H39N9O2 non-polymer 0.58 0.18 0WR 0WS C9H7N3O2 non-polymer 0.00 0.00 0WS 0WT C17Cl1H18N7O1 non-polymer 0.00 0.00 0WT 0WU C10H14O1 non-polymer 0.38 0.27 0WU 0WV C10H12O1 non-polymer 0.38 0.27 0WV 0WW C23H28N6O1S1 non-polymer 0.00 0.00 0WW 0WX C24H35N7O2 non-polymer 0.00 0.00 0WX 0WY C26H33N7O1 non-polymer 0.00 0.00 0WY 0WZ C12H13N3O3 L-peptide linking 0.00 0.00 0WZ 0X0 C24H34N2O5S1 non-polymer 0.00 0.00 0X0 0X1 C24H22N5O7P1 non-polymer 0.00 0.00 0X1 0X2 C12Cl2H8N2O2 non-polymer 0.00 0.00 0X2 0X3 C12Cl1F1H6N4O3 non-polymer 0.00 0.00 0X3 0X5 C16Cl2H13N3O2 non-polymer 0.00 0.00 0X5 0X6 C17Cl2H12N4O2 non-polymer 0.00 0.00 0X6 0X9 C6H15N5O4S1 L-peptide linking 0.43 0.62 0X9 0XA C29H41N3O5 non-polymer 0.40 0.30 0XA 0XB C12F1H7N4O3 non-polymer 0.00 0.00 0XB 0XC C6H12N2O2 non-polymer 0.93 0.40 0XC 0XD C5H9N1O2S1 non-polymer 0.93 0.44 0XD 0XE C21H18O11 non-polymer 1.00 0.41 0XE 0XF C18H25N7O1 non-polymer 1.00 0.42 0XF 0XG C19H18N4O4S1 non-polymer 0.50 0.14 0XG 0XH C16Cl2F1H12N3O2 non-polymer 0.00 0.00 0XH 0XJ C24H30O3 non-polymer 0.50 0.11 0XJ 0XL C6H13N1O2 peptide linking 0.93 1.00 0XL 0XM C13H13N1 non-polymer 0.00 0.00 0XM 0XN C13F2H11N1 non-polymer 0.00 0.00 0XN 0XO C7H16N2O2 D-peptide linking 0.93 0.73 0XO 0XP C17Cl2F1H11N4O2 non-polymer 0.00 0.00 0XP 0XQ C9H20N2O2 D-peptide linking 0.93 0.62 0XQ 0XR C11H12O4 non-polymer 0.75 0.33 0XR 0XS Br1C10F3H6N4O1 non-polymer 0.00 0.00 0XS 0XT C8H10N6O1 non-polymer 0.00 0.00 0XT 0XU C15H21N7O5 non-polymer 1.00 0.44 0XU 0XV C18H16O3 non-polymer 0.00 0.00 0XV 0XW C7H13N1O3 non-polymer 0.00 0.00 0XW 0XX C54H66N8O14S2 non-polymer 0.58 0.28 0XX 0XY C8F1H14N1O6 D-saccharide 1.00 0.94 0XY 0XZ C21Cl1H25N6O2 non-polymer 0.00 0.00 0XZ 0Y0 C14H21N7O5 non-polymer 1.00 0.38 0Y0 0Y1 C24H30N8O5 non-polymer 1.00 0.27 0Y1 0Y2 C24H29N7O5S1 non-polymer 1.00 0.27 0Y2 0Y3 C54H66N8O14S2 non-polymer 0.58 0.28 0Y3 0Y4 C20H19N9O1 non-polymer 0.00 0.00 0Y4 0Y5 C25F3H24N3O5 non-polymer 1.00 0.25 0Y5 0Y7 C23Cl2H25N1O4 non-polymer 0.50 0.20 0Y7 0Y8 Br1C14H13N2O3 L-peptide linking 0.00 0.00 0Y8 0Y9 C6H9N1O2 peptide linking 0.30 0.56 0Y9 0YA C3H7N1O2S1 non-polymer 0.00 0.00 0YA 0YB Br1C29H34N3O5 non-polymer 1.00 0.34 0YB 0YC C6H8N2 non-polymer 0.00 0.00 0YC 0YD C18Cl1H14N1O3 non-polymer 0.00 0.00 0YD 0YE C12H11N1O3 non-polymer 0.00 0.00 0YE 0YF C15H14O2 non-polymer 0.00 0.00 0YF 0YG C11H12N2O4 L-peptide NH3 amino terminus 0.81 0.41 0YG 0YH C26H30N6O2 non-polymer 0.38 0.06 0YH 0YJ C27H32N6O2 non-polymer 0.50 0.29 0YJ 0YL Br1C25Cl1H20N1O5P1 non-polymer 0.00 0.00 0YL 0YN C13H17N3O1S1 non-polymer 0.00 0.00 0YN 0YO C21H17N5O2 non-polymer 0.00 0.00 0YO 0YP Br1C22H22N3O5 non-polymer 0.20 0.23 0YP 0YQ C17H23N5O11 non-polymer 1.00 0.79 0YQ 0YR C5H11N1O6 non-polymer 0.98 0.92 0YR 0YS C18Cl2H21N3O9 non-polymer 0.50 0.28 0YS 0YT C8H15N1O5S1 D-saccharide 1.00 0.80 0YT 0YU C26H21N7O4 non-polymer 0.00 0.00 0YU 0YV Br2C26H22N2 non-polymer 0.00 0.07 0YV 0YW C24H30N2O6 non-polymer 0.00 0.00 0YW 0YX Br1C21H28O5P1 non-polymer 0.00 0.00 0YX 0YY C18H24O5 non-polymer 0.95 0.26 0YY 0YZ C20H28O5 non-polymer 0.95 0.24 0YZ 0Z0 C21F6H19N3O3 peptide-like 0.00 0.00 0Z0 0Z1 C22F3H32N4O3 peptide-like 0.00 0.00 0Z1 0Z2 C18F6H21N3O3 peptide-like 0.00 0.00 0Z2 0Z3 C26F3H34N4O3 peptide-like 0.00 0.00 0Z3 0Z4 C23F3H36N4O3 peptide-like 0.00 0.00 0Z4 0Z6 C25Cl1H36N6O3 peptide-like 0.00 0.00 0Z6 0Z7 C27Cl1H38N6O4 non-polymer 0.00 0.00 0Z7 0Z9 C17H25N3O5 peptide-like 0.38 0.76 0Z9 0ZA C21Cl1H21N4O2 non-polymer 0.00 0.00 0ZA 0ZB C18H25N3O6 peptide-like 0.43 0.63 0ZB 0ZC C23H25N3O5 peptide-like 0.00 0.00 0ZC 0ZD C46H50N4O10S2 non-polymer 0.59 0.42 0ZD 0ZE C29H38N7O3S1 peptide-like 0.00 0.00 0ZE 0ZG C22H28N4O3S1 peptide-like 0.00 0.00 0ZG 0ZI C25H39N6O3S1 peptide-like 0.20 0.09 0ZI 0ZJ C23Cl1H36N6O4S1 peptide-like 0.00 0.00 0ZJ 0ZL C29H55N3O6 peptide-like 0.54 0.71 0ZL 0ZN C27H33N3O5 peptide-like 0.46 0.54 0ZN 0ZO C25Cl1H35N4O7 peptide-like 0.00 0.00 0ZO 0ZP C51H68N5O4 peptide-like 0.00 0.00 0ZP 0ZQ C38H49N5O7 peptide-like 0.56 0.10 0ZQ 0ZR C38H50N6O7 peptide-like 0.56 0.10 0ZR 0ZS C38H49N5O8 peptide-like 0.56 0.10 0ZS 0ZT C38H49N5O8 peptide-like 0.56 0.10 0ZT 0ZW B1C21H44N4O7 peptide-like 0.75 0.30 0ZW 0ZX B1C22H45N4O6 peptide-like 0.62 0.36 0ZX 0ZY B1C19H40N4O6 peptide-like 0.56 0.17 0ZY 0ZZ Br1C26H33N2O6S1 peptide-like 0.00 0.00 0ZZ 100 C12Cl1H8N5O2 non-polymer 0.50 0.25 100 101 C10H14N5O6P1 non-polymer 1.00 0.41 101 103 C10H14N5O5P1 non-polymer 0.00 0.00 103 104 C6H18N4 non-polymer 0.00 0.00 104 105 B1C12Cl1H12N2O4 non-polymer 0.00 0.00 105 106 Br1C14H9N4O3S1 non-polymer 0.00 0.00 106 107 C21H15N5O3S2 non-polymer 0.00 0.00 107 108 C11H15N3O3 non-polymer 0.64 0.35 108 109 C11H15N3O3 non-polymer 0.64 0.35 109 10A C22H48N1 non-polymer 0.20 0.13 10A 10B C17H20N2O5S1 non-polymer 0.58 0.36 10B 10C C10H14N3O8P1 RNA linking 1.00 0.50 10C 10D C5F1H11O7P2 non-polymer 0.62 0.33 10D 10E C5H13N1O7P2 non-polymer 0.62 0.33 10E 10F C20H29N7O7 non-polymer 0.68 0.35 10F 10G C5H12O7P2S1 non-polymer 0.62 0.33 10G 10H C16H20N2O3S1 non-polymer 0.00 0.00 10H 10J C25H21N5O2S1 non-polymer 0.00 0.00 10J 10K C18H17N3O1S1 non-polymer 0.00 0.00 10K 10L C7H7N3 non-polymer 0.00 0.00 10L 10M C22H42O10S1 D-saccharide 1.00 0.67 10M 10N C22H20N6O2S1 non-polymer 0.20 0.13 10N 10O C24H22N6O2S1 non-polymer 0.00 0.00 10O 10P C21H27N4O2 peptide-like 0.00 0.00 10P 10Q C24H19N7O1S1 non-polymer 0.00 0.00 10Q 10R B10C17H42O4 non-polymer 0.81 0.32 10R 10S B10C17H42O4 non-polymer 0.81 0.32 10S 10T C19H24N2O2 non-polymer 0.00 0.00 10T 10U C20H29N5O2 peptide-like 0.00 0.00 10U 10V C24H22N6O2S1 non-polymer 0.00 0.00 10V 10W C24F1H20N5O1S1 non-polymer 0.00 0.00 10W 10X C18H30O3 non-polymer 0.42 0.57 10X 10Y C18H30O3 non-polymer 0.42 0.57 10Y 10Z C23H23N5O1 non-polymer 0.50 0.17 10Z 110 C28H38N4O7S1 non-polymer 0.62 0.38 110 111 C16H25N3O7S2 non-polymer 0.00 0.00 111 112 C12H19N6O13P3S1 non-polymer 1.00 0.29 112 113 C15H14O8 non-polymer 0.00 0.00 113 114 C23H36O6 non-polymer 0.65 0.24 114 115 C24F1H26N1O4 non-polymer 0.50 0.30 115 116 C26F1H36N1O5 non-polymer 0.35 0.18 116 117 C33F1H35N2O5 non-polymer 0.00 0.00 117 118 C24H20Sb1 non-polymer 0.00 0.00 118 119 C24H20P1 non-polymer 0.00 0.00 119 11A C11H22O2 non-polymer 0.00 0.00 11A 11B C23H31N4O7P1 non-polymer 0.43 0.57 11B 11C C6H11N1O4 non-polymer 0.00 0.00 11C 11D C23H34N2O4S1 non-polymer 0.20 0.10 11D 11E C10H9N3O3S1 non-polymer 0.81 0.41 11E 11F C22H22N4O1 non-polymer 0.00 0.07 11F 11G C14H20N4O1 non-polymer 0.00 0.00 11G 11H C14H8O8S2 non-polymer 0.00 0.00 11H 11J C19H14I1N1O1 non-polymer 0.00 0.00 11J 11K C20H26N4O2 non-polymer 0.00 0.00 11K 11M C23H24N2O2S2 non-polymer 0.00 0.00 11M 11N C22H24N2O2 non-polymer 0.29 0.19 11N 11O C18H32O4 non-polymer 0.62 0.41 11O 11P C9H13N1O7P2 non-polymer 0.00 0.00 11P 11Q C12H21N1O2 L-peptide linking 0.00 0.00 11Q 11R C51H75N7O1Ru1 non-polymer 0.20 0.05 11R 11S C8Cl1H6N1 non-polymer 0.00 0.00 11S 11U C21H31N5O2 peptide-like 0.00 0.00 11U 11V C25Cl1H27N6O1S1 non-polymer 0.00 0.00 11V 11W C20H21N3O4 L-peptide linking 0.57 0.44 11W 11X C12H12N2 non-polymer 0.00 0.00 11X 11Y Br1C22Cl1H13N1O5S1 non-polymer 1.00 0.39 11Y 11Z C17H32O2 non-polymer 0.00 0.00 11Z 120 C13H12N5O1 non-polymer 0.00 0.00 120 121 C13H12N5O1 non-polymer 0.00 0.00 121 122 C14H13N4O1 non-polymer 0.00 0.00 122 123 C15H15N4O2 non-polymer 0.00 0.00 123 124 C15H14N3O1 non-polymer 0.00 0.00 124 125 C12F1H18N2O9P1 RNA linking 1.00 0.72 125 126 C17H29N2O12P1 RNA linking 1.00 0.88 126 127 C12H20N3O10P1 RNA linking 1.00 0.69 127 128 C16H17N8O19P3 RNA linking 1.00 0.22 128 129 C3H8N1O5P1 non-polymer 0.00 0.00 129 12A C16H23N6O11P1S1 RNA linking 1.00 0.51 12A 12B C11H7N1O1 non-polymer 0.00 0.00 12B 12C C23Cl1H22N5O1 non-polymer 0.00 0.00 12C 12D C16H16N8O16P2 non-polymer 1.00 0.24 12D 12E C13H18N4O5S1 non-polymer 1.00 0.52 12E 12F C43F1H48N9O17P2 non-polymer 1.00 0.32 12F 12G C25Cl2H17N1O5 non-polymer 1.00 0.39 12G 12H C12H24O3 non-polymer 0.00 0.00 12H 12I C13H16N4 non-polymer 0.00 0.00 12I 12J C16H16I1N1O2 non-polymer 0.58 0.20 12J 12K C8H15N1O2 non-polymer 0.00 0.00 12K 12L C8H13N1O2 L-peptide linking 0.00 0.00 12L 12M C9H12O1 non-polymer 0.00 0.00 12M 12N C8H15N1O3 non-polymer 0.00 0.00 12N 12O C26H26N2O5 non-polymer 0.00 0.00 12O 12P C24H50O13 non-polymer 0.88 1.00 12P 12Q C10H9N1O1 non-polymer 0.00 0.00 12Q 12R C11H10N6 non-polymer 0.00 0.00 12R 12S C25H33N5 non-polymer 0.00 0.00 12S 12T C8H7N1O4 non-polymer 0.00 0.00 12T 12U C22H33N5O2 non-polymer 0.00 0.00 12U 12V C17H27N3O16P2S1 non-polymer 1.00 0.56 12V 12W C6H10O3 non-polymer 0.00 0.00 12W 12X Br1C22H23N4O5S1 L-peptide linking 0.00 0.00 12X 12Y C22H24N4O5S1 L-peptide linking 0.00 0.00 12Y 12Z C15H18N4O1S1 non-polymer 1.00 0.48 12Z 130 C20H16N4O1 non-polymer 0.00 0.00 130 132 C21Cl1H17N3O1 non-polymer 0.00 0.00 132 133 C18F1H19N4O2 non-polymer 0.56 0.20 133 134 C22F1H24N3O2 non-polymer 0.00 0.00 134 135 C14H13N3O2 non-polymer 0.00 0.00 135 136 C15Cl1H13I1N3O2 non-polymer 0.00 0.00 136 137 C12H18N1O9P1 non-polymer 1.00 0.43 137 138 C30H37N6O15P1 non-polymer 1.00 0.42 138 139 C19H25N7O14P2 non-polymer 1.00 0.45 139 13A C9H12N4O7S1 non-polymer 1.00 0.48 13A 13C C17Cl1H20N1O4 non-polymer 0.00 0.00 13C 13D C3H10N2 non-polymer 0.00 0.00 13D 13E C14H22N2O2S1 L-peptide linking 0.00 0.00 13E 13F C15H15N3O3S1 non-polymer 0.00 0.00 13F 13H C18H32O3 non-polymer 0.46 0.48 13H 13I C20Cl1H26N1O6 non-polymer 0.58 0.29 13I 13J C29H33N7O2 non-polymer 0.00 0.00 13J 13K C20H23N7O3 non-polymer 0.00 0.00 13K 13L C29H33N7O2 non-polymer 0.00 0.00 13L 13M C30H27N1O4 non-polymer 0.00 0.00 13M 13N C25Cl1H27N2O5 non-polymer 0.00 0.00 13N 13P C3H7O6P1 non-polymer 0.98 0.60 13P 13Q C23Cl2H23N1O3 non-polymer 0.00 0.00 13Q 13R C18H32O4 non-polymer 0.42 0.45 13R 13S C18H32O4 non-polymer 0.42 0.45 13S 13T C32H50O10 non-polymer 0.50 0.14 13T 13U C23H35N5O2 non-polymer 0.00 0.00 13U 13V C20H22N4O3 non-polymer 0.75 0.41 13V 13W C17H16N4O1S1 non-polymer 0.00 0.00 13W 13X C6H6O3 non-polymer 0.00 0.00 13X 13Y C28Cl1H32N3O5 non-polymer 1.00 0.24 13Y 13Z C17F1H29N4O4 non-polymer 0.62 0.27 13Z 140 C18H35N1O3 non-polymer 0.00 0.00 140 141 C5H4N4O2 non-polymer 0.00 0.00 141 142 C10H14N2O4 non-polymer 0.93 0.50 142 143 C8H13N3O5S1 L-peptide linking 0.00 0.00 143 144 C4H12N1O3 non-polymer 0.00 0.00 144 145 C12H15N1O8 non-polymer 1.00 0.57 145 146 C49H44N8O5 non-polymer 0.00 0.00 146 147 C12H15N1O8 D-saccharide 1.00 0.57 147 148 C8H19N1O5 non-polymer 0.72 1.00 148 149 C6H10O6 D-saccharide 1.00 1.00 149 14A C19Cl1H27N4O3 non-polymer 0.83 0.41 14A 14B C9H11N1O2 non-polymer 0.00 0.00 14B 14C C14Cl1H9N2O2 non-polymer 0.00 0.00 14C 14D C24F3H24N3O3 non-polymer 1.00 0.27 14D 14E Br1C19H17N1O5P1 non-polymer 0.00 0.00 14E 14F C9H11N1O4 non-polymer 0.00 0.00 14F 14H C24H41N1O3 non-polymer 0.00 0.00 14H 14I C16H8O6 non-polymer 0.00 0.00 14I 14J Br1C5H3O3 non-polymer 0.00 0.00 14J 14K C22F1H28N9O3S1 non-polymer 1.00 0.22 14K 14L C24H18O3 non-polymer 0.00 0.00 14L 14M C22H33N3O3S1 non-polymer 1.00 0.34 14M 14N C12H16N2O2 non-polymer 0.00 0.00 14N 14O C8F1H6N1 non-polymer 0.00 0.00 14O 14Q C23H22N4O3 non-polymer 0.00 0.07 14Q 14R C31H27N7O1 non-polymer 0.00 0.00 14R 14S C25H34N6O3 non-polymer 1.00 0.32 14S 14T C14F4H15N1O6 saccharide 1.00 0.60 14T 14U C19H36O3 non-polymer 0.65 0.36 14U 14V C20H36O4 non-polymer 0.00 0.00 14V 14W C10H15N3 non-polymer 0.00 0.00 14W 14X C13H17N3O3S1 non-polymer 0.00 0.00 14X 14Y C19H36O2 non-polymer 0.69 0.57 14Y 14Z C11H15N3O3S1 non-polymer 0.00 0.00 14Z 150 C8H12N2 non-polymer 0.00 0.00 150 151 C19H30N4O6S1 non-polymer 0.00 0.00 151 152 C7H16N1O3 non-polymer 0.73 0.82 152 153 C24Cl2F3H18N1O3 non-polymer 0.45 0.27 153 154 C29Cl2H21N1O4S1 non-polymer 0.45 0.24 154 155 C24H24N4O1 non-polymer 0.00 0.00 155 156 C24H26O3 non-polymer 0.33 0.15 156 157 C12H22N2O2 non-polymer 0.00 0.00 157 158 C7H11N1O4S1 non-polymer 0.59 0.69 158 159 C9H11N1O5S2 non-polymer 0.00 0.00 159 15A C8H17N3O4 non-polymer 1.00 0.80 15A 15B C23H37N5O9 non-polymer 1.00 0.32 15B 15C C17H13N1O3 non-polymer 0.62 0.14 15C 15E Br1C9H9N2O1 non-polymer 0.00 0.00 15E 15F C15Cl3H14N2O1 non-polymer 0.23 0.38 15F 15G C20F2H17N3O3 non-polymer 0.00 0.00 15G 15H C24H25N5O2S1 non-polymer 0.00 0.00 15H 15I C14H20N6 non-polymer 0.00 0.00 15I 15J C24H25N5O2 non-polymer 0.00 0.00 15J 15L C6H8O7 saccharide 1.00 1.00 15L 15M C25H37N1O4 non-polymer 0.46 0.43 15M 15N C9H8O4 non-polymer 0.00 0.00 15N 15O C10Cl1H7 non-polymer 0.00 0.00 15O 15P C69H140O35 non-polymer 0.88 1.00 15P 15Q C13Cl1F1H9N1O3 non-polymer 0.00 0.00 15Q 15R C33F1H30N5O4 non-polymer 0.00 0.00 15R 15S C27F1H29N4O3 non-polymer 0.00 0.00 15S 15T C19H23N5O1 non-polymer 0.00 0.00 15T 15U C23H36N6O5S1 peptide-like 0.00 0.00 15U 15V C17Cl1H13N6O1 non-polymer 0.00 0.00 15V 15W C16H12O4 non-polymer 0.00 0.00 15W 15X C21F1H18N3O4 non-polymer 0.00 0.00 15X 15Y C10H13N1O3S1 non-polymer 0.00 0.00 15Y 15Z C15H10O5 non-polymer 0.00 0.00 15Z 160 C20H24N2O8S5 non-polymer 0.59 0.26 160 161 C20H20N2O9S1 non-polymer 0.59 0.34 161 162 C23H32N6O4 peptide-like 0.00 0.00 162 163 C23H32N6O4 peptide-like 0.00 0.00 163 164 C11H12O6 non-polymer 0.69 0.41 164 165 C28H35N5O4S2 peptide-like 0.00 0.00 165 166 C22H26N2O4 non-polymer 0.00 0.00 166 167 C23H28N2O4 non-polymer 0.00 0.00 167 168 C18H32N2O7 non-polymer 0.90 1.00 168 169 C18H33N7O5 non-polymer 0.54 0.50 169 16A C19H42N1 non-polymer 0.20 0.15 16A 16B C9H14N3O9P1 non-polymer 1.00 0.45 16B 16C C34H67N1O3 non-polymer 0.61 0.26 16C 16D C6H16N2 non-polymer 0.00 0.00 16D 16E C21H37N1O7 non-polymer 0.68 0.34 16E 16F C14H19N3O6S1 non-polymer 1.00 0.50 16F 16G C8H16N1O9P1 D-saccharide 1.00 0.79 16G 16H C26H45N1O3 non-polymer 0.00 0.00 16H 16I C19H13N3O2S1 non-polymer 0.00 0.00 16I 16J C15Cl1H20N3O2 non-polymer 0.00 0.00 16J 16K C15H13N5O2S1 non-polymer 0.00 0.00 16K 16L C19H19N1O2 non-polymer 0.38 0.23 16L 16M C8H10S1 non-polymer 0.00 0.00 16M 16N C9H10 non-polymer 0.00 0.00 16N 16O Br1C14H18N3O5S1 non-polymer 1.00 0.50 16O 16P C14H30O6 non-polymer 0.88 1.00 16P 16Q C8H10O1 non-polymer 0.00 0.00 16Q 16R C7H8S1 non-polymer 0.00 0.00 16R 16S C15H10O4 non-polymer 0.00 0.00 16S 16T C22Cl1H22N3O6S1 non-polymer 1.00 0.27 16T 16U C18Cl1H25N2O2 peptide-like 0.00 0.00 16U 16V C15F1H17N2O3 non-polymer 0.00 0.00 16V 16W C17Cl1H18N5O2 non-polymer 0.00 0.00 16W 16X C14H12N6O2S1 non-polymer 0.00 0.00 16X 16Y C16H32O3 non-polymer 0.00 0.00 16Y 16Z C13H19N1O3 non-polymer 0.00 0.00 16Z 170 C21Cl2F2H17N9O3 non-polymer 0.00 0.00 170 171 C8H11N1O3S1 non-polymer 0.00 0.00 171 172 C7H7N3O1 non-polymer 0.00 0.00 172 173 C8H6O3 non-polymer 0.45 0.73 173 174 C7Cl1H5O2 non-polymer 0.00 0.00 174 175 C8H16N4O3 L-peptide linking 0.00 0.00 175 176 C27Cl2H27N3O2 peptide-like 0.00 0.00 176 177 C24Cl1H35N4O4 peptide-like 0.61 0.21 177 178 C18H22O2S1 non-polymer 0.00 0.00 178 179 C18H20N2O7 non-polymer 1.00 0.63 179 17A C26H31N2O6P1S1 non-polymer 0.00 0.00 17A 17B C10H21N3O4 non-polymer 1.00 0.71 17B 17C C14H11N1O4 non-polymer 0.00 0.00 17C 17D C14H12O2 non-polymer 0.00 0.00 17D 17E C5H7N3O1 non-polymer 0.00 0.00 17E 17F C42H78N1O10P1 non-polymer 0.98 0.63 17F 17G C24F3H15N4O1 non-polymer 0.00 0.00 17G 17H C21H28O2 non-polymer 0.00 0.00 17H 17J C18H18N6O1S1 non-polymer 0.00 0.00 17J 17K C22H22N2O7S1 non-polymer 0.59 0.41 17K 17L C30H27N1O8 non-polymer 0.62 0.08 17L 17M C19H22O2 non-polymer 0.00 0.00 17M 17N C18H12O7 non-polymer 0.00 0.00 17N 17O C12H11N3O3S2 non-polymer 0.00 0.00 17O 17P C22H24N6O1 non-polymer 0.00 0.00 17P 17Q C19H39N1O1 non-polymer 0.20 0.14 17Q 17R C20F4H19N5O2S1 non-polymer 0.00 0.00 17R 17S C15H21N3O6S1 non-polymer 1.00 0.48 17S 17T C14Cl1H18N3O5S1 non-polymer 1.00 0.50 17T 17U C9H19N1O1 non-polymer 0.46 0.73 17U 17V C18H18N4O2S1 non-polymer 0.36 0.16 17V 17W C15H14N2O1S1 non-polymer 0.00 0.00 17W 17X C40H42N6O2 non-polymer 0.43 0.21 17X 17Y C5H10O2 non-polymer 0.00 0.00 17Y 17Z C11H10O2 non-polymer 0.00 0.00 17Z 180 C22H26N4O5S3 non-polymer 0.50 0.26 180 181 C13H14N2O4S1 non-polymer 1.00 0.40 181 182 C13H14N2O4Se1 non-polymer 0.00 0.00 182 183 C21H22N2O5 non-polymer 0.00 0.00 183 184 C26H28O3 non-polymer 0.00 0.00 184 185 Br1C21H16N5O2 non-polymer 1.00 0.34 185 186 C23H24N2O5 non-polymer 0.44 0.30 186 187 C25F4H17N7O1 non-polymer 0.00 0.00 187 188 C14Fe1H14N2O3S2 non-polymer 0.00 0.00 188 189 C33H43N3O4S1 non-polymer 0.00 0.00 189 18A C19H21N1O2 non-polymer 0.20 0.23 18A 18B C33H36N4O6 non-polymer 0.38 0.05 18B 18C C36H71N1O3 non-polymer 0.61 0.25 18C 18D C12H21N1O9 non-polymer 1.00 1.00 18D 18E C16Cl1H11N2O1 non-polymer 0.00 0.00 18E 18F C20H16N2 non-polymer 0.00 0.00 18F 18G C23H24N4O2 non-polymer 0.00 0.07 18G 18H C22H22N4O1 non-polymer 0.00 0.07 18H 18I C29F2H22N4O2 non-polymer 0.00 0.00 18I 18J C18H21N1O3S1 non-polymer 0.20 0.22 18J 18K C16H18N6S1 non-polymer 0.20 0.13 18K 18L C21H39O7P1 non-polymer 1.00 0.66 18L 18M C11H17N5O11P2 RNA linking 1.00 0.34 18M 18N C12H7N1O2 non-polymer 0.00 0.00 18N 18O C14H18N4O7S1 non-polymer 1.00 0.46 18O 18P C18Cl1H18N5O2 non-polymer 0.00 0.00 18P 18Q C15H18N3O9P1S1 DNA linking 1.00 0.66 18Q 18R C30H33N7O2 non-polymer 0.38 0.23 18R 18S C15H21N3O5S1 non-polymer 1.00 0.50 18S 18T C16H26N2O15P2 D-saccharide 1.00 0.80 18T 18U C13H11N1O6S2 non-polymer 0.00 0.00 18U 18V C20F1H24N5O2S2 non-polymer 1.00 0.27 18V 18W C20H22N2O9 non-polymer 0.00 0.00 18W 18X C19F1H13N2O3S1 non-polymer 0.97 0.15 18X 18Y C33H40O14 L-saccharide 1.00 0.72 18Y 18Z C18H25N9O3 non-polymer 0.00 0.00 18Z 190 Br1C31F1H37N1O5S1 non-polymer 0.00 0.00 190 191 C24H41N7O17P3S1 non-polymer 1.00 0.44 191 192 C5H9N1O2 peptide linking 0.00 0.00 192 193 C7H15N3O3 L-peptide linking 0.00 0.00 193 194 C21H14N2O8 non-polymer 0.00 0.00 194 195 C28H18N4O11 non-polymer 0.00 0.00 195 196 C17F1H10N1O2 non-polymer 0.00 0.00 196 197 C32H33N3O6 non-polymer 0.00 0.00 197 198 C18F4H14N2O4S1 non-polymer 0.00 0.00 198 199 C24H24N6O1 non-polymer 0.00 0.00 199 19A C16H16N4O1 non-polymer 0.50 0.19 19A 19B C30H32N4O3 non-polymer 0.00 0.00 19B 19C C15Cl1F1H11N1O3 non-polymer 0.00 0.00 19C 19D C11F1H16N1O8 non-polymer 1.00 0.95 19D 19E C16Cl1H11N2O1 non-polymer 0.00 0.00 19E 19F C27H32N4O4 non-polymer 0.00 0.00 19F 19G C20Cl1H19O3S1 non-polymer 0.00 0.00 19G 19H C20Cl2H19N1O3 non-polymer 0.00 0.00 19H 19J C11H11N7O5 peptide-like 0.54 0.48 19J 19K C17H18N6O2S1 non-polymer 0.20 0.12 19K 19L C21H20N8O6 peptide-like 0.50 0.43 19L 19M C27H26N8O6 peptide-like 0.38 0.46 19M 19N C6H17N4O3P1 non-polymer 0.00 0.00 19N 19O C44H36O6P2 non-polymer 0.00 0.00 19O 19P C24H26N6O3 non-polymer 0.64 0.18 19P 19Q C15H20N4O2 non-polymer 0.58 0.43 19Q 19R C15H20N4O2 non-polymer 0.58 0.43 19R 19S C18H23N5O2 non-polymer 0.40 0.32 19S 19T C19Cl1H18N3O2S1 non-polymer 0.00 0.00 19T 19U C16Cl1H22N3O2 peptide-like 0.00 0.00 19U 19V C33H45N7O2 non-polymer 0.39 0.12 19V 19W C5H12N2O3 L-peptide linking 0.64 0.90 19W 19X C20Cl1H19N6O1S1 non-polymer 0.00 0.00 19X 19Y C15H14N4O2S1 non-polymer 0.00 0.00 19Y 19Z C14H13N3O4 non-polymer 0.00 0.00 19Z 1A0 C19Cl1H19N8S1 non-polymer 0.00 0.00 1A0 1A1 C17H13N7O1S1 non-polymer 0.00 0.00 1A1 1A2 C21F2H22N6O1 non-polymer 0.00 0.00 1A2 1A3 C16H14N2O3S2 non-polymer 0.00 0.00 1A3 1A4 C13H10N2O3S3 non-polymer 0.00 0.00 1A4 1A5 C10H10N2O3 non-polymer 0.00 0.00 1A5 1A6 C11H10N4O1S1 non-polymer 0.00 0.00 1A6 1A7 C9F1H6N1O1S1 non-polymer 0.00 0.00 1A7 1A8 C17H17N3O4S3 non-polymer 0.00 0.00 1A8 1A9 C22H25N3O4S3 non-polymer 0.00 0.00 1A9 1AA C18H24N4O13P2 non-polymer 1.00 0.51 1AA 1AB C5H11N1O3 non-polymer 1.00 1.00 1AB 1AC C4H7N1O2 peptide linking 0.00 0.00 1AC 1AD C15H25N3O1 non-polymer 0.38 0.11 1AD 1AE C6H11O6P1 non-polymer 0.62 0.62 1AE 1AF C28H36N4O1 non-polymer 0.00 0.00 1AF 1AG C23H38O4 non-polymer 0.98 0.89 1AG 1AH Br1C34H41N4O6 non-polymer 0.38 0.04 1AH 1AJ C11H11N3O1S1 non-polymer 0.00 0.00 1AJ 1AK C25Cl1H16N7O3S1 non-polymer 0.25 0.05 1AK 1AL C4H7N4O4 non-polymer 0.00 0.00 1AL 1AM C22H22N6O3S1 non-polymer 0.00 0.00 1AM 1AN C6F1H6N1 non-polymer 0.00 0.00 1AN 1AO C21H20N6O1S1 non-polymer 0.00 0.00 1AO 1AP C10H15N6O6P1 DNA linking 1.00 0.39 1AP 1AQ C31F2H45N5O5 non-polymer 0.45 0.16 1AQ 1AR C9H16O5 L-saccharide 1.00 0.79 1AR 1AT C22H40O12 non-polymer 1.00 0.79 1AT 1AU C24H25N5O1 non-polymer 0.38 0.07 1AU 1AV C13H9N7S1 non-polymer 0.00 0.00 1AV 1AW C20H23N5O1 non-polymer 0.38 0.08 1AW 1AX C6H14O5 non-polymer 0.98 1.00 1AX 1AY C28Cl2H29N5 non-polymer 0.00 0.00 1AY 1AZ C18Cl2H19N5O3 non-polymer 0.00 0.00 1AZ 1B0 C27H27N3O2 non-polymer 0.00 0.00 1B0 1B1 C21H20N4 non-polymer 0.38 0.08 1B1 1B2 C17H18N4O4S1 non-polymer 0.00 0.00 1B2 1B3 C18Cl1H18N5O4S1 non-polymer 0.00 0.00 1B3 1B4 C19H22N4O4 non-polymer 0.50 0.22 1B4 1B5 C18Cl1H17N6O1 non-polymer 0.50 0.23 1B5 1B6 C18H22N6O1 non-polymer 0.50 0.28 1B6 1B7 C21Cl1H25N2O2S1 non-polymer 0.00 0.00 1B7 1B8 Br1C21Cl1H20N4O2S1 non-polymer 0.00 0.00 1B8 1B9 Br1C18Cl1H18N2O2S1 non-polymer 0.00 0.00 1B9 1BA C17H20N2O2 non-polymer 0.00 0.00 1BA 1BB C24Cl1H22N5O1 non-polymer 0.00 0.00 1BB 1BC C27Cl1H29N6O1S1 non-polymer 0.00 0.00 1BC 1BD C11F3H10N1O3 non-polymer 0.98 0.33 1BD 1BE C24Cl1H27N4O2S1 non-polymer 0.00 0.00 1BE 1BF C21Cl1H21N4O2S1 non-polymer 0.00 0.00 1BF 1BG C30H45N5O3 non-polymer 0.45 0.18 1BG 1BH C26H33N3O5 non-polymer 0.00 0.00 1BH 1BI C31H33N3O6S1 non-polymer 0.00 0.00 1BI 1BJ C17H19N5O1 non-polymer 0.00 0.00 1BJ 1BK C21H27N5O4S1 non-polymer 0.00 0.00 1BK 1BL C31F2H42N2O5 non-polymer 0.38 0.05 1BL 1BM C24H29N7O1 non-polymer 1.00 0.28 1BM 1BN C10H10N2 non-polymer 0.00 0.00 1BN 1BO C4H10O1 non-polymer 0.00 0.00 1BO 1BP Br1C3H7O1 non-polymer 0.00 0.00 1BP 1BQ C24H26N4O4S1 non-polymer 0.00 0.00 1BQ 1BR C22H26N4O2S1 non-polymer 0.38 0.07 1BR 1BS C26Cl1H24N5O1 non-polymer 0.00 0.00 1BS 1BT C23H18N8S1 non-polymer 0.17 0.09 1BT 1BU C29H30N8O1 non-polymer 0.38 0.05 1BU 1BV C41H51N7O9S1 non-polymer 0.58 0.07 1BV 1BW C10H20N2O4 D-saccharide 1.00 0.69 1BW 1BX C13H13N1O3 non-polymer 0.00 0.00 1BX 1BY C7H12N2O6P2 non-polymer 0.00 0.00 1BY 1BZ C13H13N1O2 non-polymer 0.00 0.00 1BZ 1C0 B1C28F2H25N2O6S1 non-polymer 0.50 0.10 1C0 1C1 C19Cl1F1H20N5O2 non-polymer 0.00 0.00 1C1 1C2 C16H23N3O6S1 non-polymer 0.56 0.19 1C2 1C3 C15H21N1O5 L-peptide linking 0.00 0.00 1C3 1C4 C28H45N8O21P3S1 non-polymer 1.00 0.54 1C4 1C5 C26H39N4O10P1 non-polymer 0.00 0.00 1C5 1C6 C17H19N3O2S1 non-polymer 0.00 0.00 1C6 1C7 C23H26N6O1 non-polymer 0.00 0.00 1C7 1C8 C20H23N7O1S1 non-polymer 0.00 0.00 1C8 1C9 C24Cl1F1H25N5O2 non-polymer 0.33 0.18 1C9 1CA C21H30O3 non-polymer 0.50 0.29 1CA 1CB C5H11N1 non-polymer 0.00 0.00 1CB 1CC C10H14N3O9P1 DNA linking 1.00 0.83 1CC 1CD C22H21N5O3 non-polymer 0.00 0.00 1CD 1CE C12H12N6O1S1 non-polymer 0.00 0.00 1CE 1CF C8H16O6 non-polymer 1.00 0.79 1CF 1CG C23F1H18N3O6S1 non-polymer 0.00 0.00 1CG 1CH C20H22N2O2 non-polymer 0.00 0.00 1CH 1CI C9Cl1H7N2 non-polymer 0.00 0.00 1CI 1CJ C10H12N2O2 non-polymer 0.50 0.57 1CJ 1CK Br1C11H10N3O1 non-polymer 0.00 0.00 1CK 1CL FE8S7 non-polymer 0.00 0.00 1CL 1CM C15H16N2O1 non-polymer 0.00 0.00 1CM 1CN C8Cl1F1H7N5O4S3 non-polymer 0.00 0.00 1CN 1CO C6H12O3S1 non-polymer 0.71 0.90 1CO 1CP C36H44N4O8 non-polymer 0.00 0.00 1CP 1CQ C21H17N3O3 non-polymer 0.00 0.00 1CQ 1CR C74H74N10O18S1 non-polymer 0.00 0.00 1CR 1CS C12Cl1H12N5O4S1 non-polymer 0.00 0.00 1CS 1CT C15F3H13N1O5P1 non-polymer 0.00 0.00 1CT 1CU Cu1H2O1 non-polymer 0.00 0.00 1CU 1CV C27H46N7O19P3S2 non-polymer 1.00 0.55 1CV 1CW C7H7N1O3 non-polymer 0.00 0.00 1CW 1CX C15F3H12I1N2O3 non-polymer 0.84 0.29 1CX 1CY C11Cl1H14N5 non-polymer 0.00 0.00 1CY 1CZ C27H44N7O19P3S2 non-polymer 1.00 0.55 1CZ 1D0 C17H20N3O8P1 non-polymer 0.93 0.14 1D0 1D1 C18H23N5O1 non-polymer 0.00 0.00 1D1 1D2 C20H39N1O3 non-polymer 1.00 0.42 1D2 1D4 C21H41N1O3 non-polymer 1.00 0.40 1D4 1D5 Br1C21Cl1H13N1O5S2 non-polymer 1.00 0.39 1D5 1D6 C27Cl1H20N1O7 non-polymer 1.00 0.36 1D6 1D8 C26Cl1F3H15N1O7 non-polymer 1.00 0.34 1D8 1D9 C26F6H15N1O5 non-polymer 1.00 0.34 1D9 1DA C11H14N4O4 non-polymer 1.00 0.53 1DA 1DB C10H22O3S1 non-polymer 0.00 0.00 1DB 1DC C18H18N4O2 non-polymer 0.00 0.00 1DC 1DD C14F1H11N2O2S1 non-polymer 0.00 0.00 1DD 1DE C23Cl2H13N1O7S1 non-polymer 1.00 0.38 1DE 1DF C8H7N1O6 non-polymer 0.00 0.00 1DF 1DG C27H33N8O18P3 non-polymer 1.00 0.41 1DG 1DH C3Cl1H3N2S1 non-polymer 0.00 0.00 1DH 1DI C17Cl2H16N2O1 non-polymer 0.00 0.00 1DI 1DJ C9H8O1 non-polymer 0.29 0.70 1DJ 1DK C26H23N1O5S1 non-polymer 1.00 0.39 1DK 1DL Br1C23H16N1O5S1 non-polymer 1.00 0.39 1DL 1DM C24H36N4O11 non-polymer 1.00 0.31 1DM 1DN C20H17N7O2S1 non-polymer 0.00 0.00 1DN 1DO C12H26O1 non-polymer 0.00 0.00 1DO 1DP C11H15N4O7P1 RNA linking 1.00 0.43 1DP 1DQ C4F3H3N2 non-polymer 0.00 0.00 1DQ 1DR C15H10N2O1 non-polymer 0.00 0.00 1DR 1DS C22H40O12 non-polymer 1.00 0.79 1DS 1DT C18H18N4O2 non-polymer 0.42 0.33 1DT 1DU C5H8N2O1 non-polymer 0.00 0.00 1DU 1DV C5F3H5N2 non-polymer 0.00 0.00 1DV 1DW Br1C7H5O2 non-polymer 0.00 0.00 1DW 1DX C35F4H33N1O5 non-polymer 0.00 0.00 1DX 1DY C25H22N4O4 non-polymer 0.00 0.00 1DY 1DZ C17H14N2O2 non-polymer 0.00 0.00 1DZ 1E0 C18H19N5O3 non-polymer 0.58 0.15 1E0 1E1 C7H14N2O2 non-polymer 0.00 0.00 1E1 1E2 C11H20O11S1 non-polymer 1.00 0.83 1E2 1E3 C9H20N2O2 L-peptide linking 0.00 0.00 1E3 1E4 C33Cl1F1H31N3O12S1 non-polymer 1.00 0.24 1E4 1E5 C14F1H10N1O5 non-polymer 0.00 0.00 1E5 1E6 C18Cl1H19N2O7S1 non-polymer 0.98 0.21 1E6 1E7 C15Cl1H13N2O4S1 non-polymer 0.00 0.00 1E7 1E8 C25H24N6O2 non-polymer 0.38 0.15 1E8 1E9 C42Cl1H44N7O6S3 non-polymer 0.20 0.05 1E9 1EA C26F1H22N1O3 non-polymer 0.00 0.00 1EA 1EB C10H10N2O3 non-polymer 0.00 0.00 1EB 1EC B1C9H21N1O6 non-polymer 0.93 0.65 1EC 1ED C18H18N2O3 non-polymer 0.00 0.00 1ED 1EE B1C13H28N2O6 non-polymer 0.93 0.18 1EE 1EF C25H25N5O3 non-polymer 0.00 0.00 1EF 1EG C15H21N7O10S1 non-polymer 1.00 0.30 1EG 1EH C20Cl1H14N3O2S2 non-polymer 0.00 0.00 1EH 1EI C15H20N6O10S1 non-polymer 1.00 0.31 1EI 1EJ C17Cl1F1H9N3O2S2 non-polymer 0.00 0.00 1EJ 1EK C18Cl1H12N3O2S2 non-polymer 0.00 0.00 1EK 1EL C17H14N2O2 non-polymer 0.00 0.00 1EL 1EM C26H50O5 non-polymer 1.00 0.45 1EM 1EN C21Cl1F1H15N3O1 non-polymer 0.00 0.00 1EN 1EO C19F1H18N3O2 non-polymer 0.00 0.00 1EO 1EP C17H24N2O2 non-polymer 0.38 0.10 1EP 1EQ C18Cl1H16N3 non-polymer 0.00 0.00 1EQ 1ER C15H17N1O1 non-polymer 0.38 0.12 1ER 1ES C11H14N2 non-polymer 0.00 0.00 1ES 1ET C23H29N5 non-polymer 0.00 0.00 1ET 1EU C17H17N5O2 non-polymer 0.62 0.12 1EU 1EV C23H25N5 non-polymer 0.00 0.00 1EV 1EW C25H33N5 non-polymer 0.00 0.00 1EW 1EX C16H30O1 non-polymer 0.44 0.47 1EX 1EY C16H28O1 non-polymer 0.44 0.47 1EY 1EZ C18H24N2O3S1 non-polymer 0.00 0.00 1EZ 1F0 C38Cl2H48N4O4S1 non-polymer 0.38 0.04 1F0 1F1 C9H7N1O2 non-polymer 0.00 0.00 1F1 1F2 C41H64N4O11 non-polymer 1.00 0.18 1F2 1F3 C44H66N4O12 non-polymer 1.00 0.17 1F3 1F4 C43H68N4O11 non-polymer 1.00 0.17 1F4 1F5 C33H50O11 non-polymer 1.00 0.59 1F5 1F6 C21F3H20N3O3 non-polymer 0.56 0.20 1F6 1F7 C25H49N2O9P1S1 non-polymer 0.62 0.26 1F7 1F8 C12H13N1O2S1 non-polymer 0.00 0.00 1F8 1FA C32F3H27N2O4S1 non-polymer 0.00 0.05 1FA 1FB C15Cl1H16N5O1 non-polymer 0.39 0.23 1FB 1FC C10F1H13N3O9P1 DNA linking 1.00 0.79 1FC 1FD C8F3H8N1O1 non-polymer 0.00 0.00 1FD 1FE C9H10N4O2 non-polymer 0.00 0.00 1FE 1FF C11H10N2O2 non-polymer 0.00 0.00 1FF 1FG C21H22N4O2 non-polymer 0.00 0.00 1FG 1FH C40Fe1H38N4O4 non-polymer 0.38 0.04 1FH 1FJ C17H13N3O2S3 non-polymer 0.00 0.00 1FJ 1FK C14H12N4O1 non-polymer 0.62 0.16 1FK 1FL C13F2H8O3 non-polymer 0.00 0.00 1FL 1FM C19H22O7 non-polymer 0.00 0.00 1FM 1FN C25F2H16N4O3 non-polymer 0.00 0.00 1FN 1FO C17F1H12N1O5 non-polymer 0.94 0.33 1FO 1FP C5H10N2O1 non-polymer 0.00 0.00 1FP 1FQ C17F1H12N1O5 non-polymer 0.94 0.33 1FQ 1FR C23Cl1H22N3O2 non-polymer 0.00 0.00 1FR 1FS C20Cl1H9N4O6 non-polymer 0.00 0.00 1FS 1FT C12H23O13P1S1 non-polymer 1.00 0.81 1FT 1FV C26H36N6O2 non-polymer 0.00 0.00 1FV 1FW C20F1H21N4O2S1 non-polymer 0.00 0.00 1FW 1FX C20F1H21N4O3S1 non-polymer 0.00 0.00 1FX 1FY C17H26N4O4S2 non-polymer 0.00 0.00 1FY 1FZ C10H18N3O13P3 non-polymer 1.00 0.59 1FZ 1G0 C22H20N4O2 non-polymer 0.00 0.00 1G0 1G1 C33H49N7O5S1 peptide-like 0.00 0.00 1G1 1G2 C9H9N3O2 L-peptide linking 0.00 0.00 1G2 1G3 C12H20N2O2S1 L-peptide linking 0.00 0.00 1G3 1G4 C18H20N2O3 non-polymer 0.00 0.00 1G4 1G5 C28H40N4O7S1 peptide-like 0.48 0.40 1G5 1G6 C37H50N8O5S1 peptide-like 0.00 0.00 1G6 1G7 C18H18N2O5 non-polymer 0.00 0.00 1G7 1G8 C10H14N2O2 D-peptide linking 0.00 0.00 1G8 1G9 C12H14N2O3 non-polymer 1.00 0.65 1G9 1GA C16H21N1 non-polymer 0.00 0.00 1GA 1GB C20H19N3O3 non-polymer 0.00 0.00 1GB 1GC C11H18N5O12P3 non-polymer 1.00 0.29 1GC 1GD C15H16N2O3S1 non-polymer 0.00 0.00 1GD 1GE C31H27N3O4 non-polymer 0.00 0.00 1GE 1GG C24Cl1H31N6O2 non-polymer 0.00 0.00 1GG 1GH C23H21N5O3 non-polymer 0.00 0.00 1GH 1GJ C21F3H15N2O2 non-polymer 0.00 0.00 1GJ 1GK C18H16N2O3 non-polymer 0.00 0.00 1GK 1GL C7H14O4 D-saccharide 1.00 0.91 1GL 1GM C16F3H13N2O2 non-polymer 0.00 0.00 1GM 1GN C6H13N1O5 D-saccharide 1.00 1.00 1GN 1GO C8H8N4O3S3 non-polymer 0.00 0.00 1GO 1GP C3H9O6P1 non-polymer 0.98 0.60 1GP 1GQ C18F3H17N2O2 non-polymer 0.00 0.00 1GQ 1GR C18F3H17N2O2 non-polymer 0.00 0.00 1GR 1GS C18F3H17N2O2 non-polymer 0.00 0.00 1GS 1GT C18F3H15N2O2 non-polymer 0.44 0.16 1GT 1GU C18F3H15N2O2 non-polymer 0.44 0.16 1GU 1GV C18H16O2S1 non-polymer 0.00 0.00 1GV 1GW C20H26N2O18P2S1 non-polymer 1.00 0.51 1GW 1GZ C25H40N7O17P3S2 non-polymer 1.00 0.50 1GZ 1H1 C7H11N1O3 non-polymer 0.61 0.91 1H1 1H2 C18H17N1O3 non-polymer 0.00 0.00 1H2 1H3 C18H17N1O3 non-polymer 0.00 0.00 1H3 1H4 C25H32N6O2 non-polymer 0.00 0.00 1H4 1H5 C18F3H14N5O2 non-polymer 0.00 0.00 1H5 1H6 C18F2H15N5O2 non-polymer 0.00 0.00 1H6 1H7 C18F2H15N5O2 non-polymer 0.00 0.00 1H7 1H8 C18F1H16N5O2 non-polymer 0.00 0.00 1H8 1HA C32H42N7O18P3S1 non-polymer 1.00 0.38 1HA 1HB C7H16N2O2 peptide-like 0.54 0.91 1HB 1HC C3H5N1O1 non-polymer 0.38 1.00 1HC 1HD C5H12N2O2 peptide-like 0.54 1.00 1HD 1HE C25H42N7O17P3S2 non-polymer 1.00 0.43 1HE 1HF C16H10N4O6S2 non-polymer 0.21 0.25 1HF 1HG C19F5H14N5O2 non-polymer 0.00 0.00 1HG 1HH C19F5H14N5O2 non-polymer 0.00 0.00 1HH 1HJ C19F4H15N5O2 non-polymer 0.00 0.00 1HJ 1HK C19H18N2O2 non-polymer 0.00 0.00 1HK 1HL C19F4H15N5O2 non-polymer 0.00 0.00 1HL 1HM C19F5H14N5O2 non-polymer 0.00 0.00 1HM 1HN C11H8O3 non-polymer 0.00 0.00 1HN 1HO C18F4H13N5O2 non-polymer 0.00 0.00 1HO 1HP C13H12N4O1 non-polymer 0.00 0.00 1HP 1HQ C18F3H14N5O2 non-polymer 0.00 0.00 1HQ 1HR C11Cl2H8O3 non-polymer 0.00 0.00 1HR 1HS C5H12O4S2 non-polymer 0.00 0.00 1HS 1HT C38H56O13 non-polymer 1.00 0.43 1HT 1HU C11H14N2 non-polymer 0.00 0.00 1HU 1HV C25H25N5O2 non-polymer 0.50 0.12 1HV 1HW C21F4H18N2O4 non-polymer 0.00 0.00 1HW 1HX C15Cl1F1H13N3O1 non-polymer 0.23 0.38 1HX 1HZ C18H22N6O7S1 non-polymer 1.00 0.31 1HZ 1IG C20H26N6O2S1 non-polymer 0.00 0.00 1IG 1IN C35H51N5O5 non-polymer 0.39 0.11 1IN 1IP C6H11N2O7P1 L-peptide linking 0.00 0.00 1IP 1IQ C17H17N3O3 non-polymer 0.00 0.00 1IQ 1IR C18H17N5O1S1 non-polymer 0.00 0.00 1IR 1IS C18H17N5O1S1 non-polymer 0.00 0.00 1IS 1IT C12H8O1 non-polymer 0.00 0.00 1IT 1IU C19H29N8O5P1 non-polymer 0.00 0.00 1IU 1J1 C11H19N3O3 non-polymer 0.00 0.00 1J1 1J2 C24H31N5O3S1 non-polymer 0.00 0.00 1J2 1J3 C28F1H37N8O3 non-polymer 0.25 0.12 1J3 1J4 C27F3H34N7O3 non-polymer 0.00 0.00 1J4 1J5 C17H19N5O1 non-polymer 0.00 0.00 1J5 1J6 C18H21N5O1 non-polymer 0.00 0.00 1J6 1J9 C21Cl2H18N6O4 non-polymer 0.81 0.30 1J9 1JB C16H26N2O15P2 saccharide 1.00 0.80 1JB 1JC C29H28N6O3S1 non-polymer 0.00 0.00 1JC 1JD C22Cl1H22N7O3 non-polymer 0.81 0.30 1JD 1JE C16Cl2H17N1O3 non-polymer 0.00 0.00 1JE 1JF C13Cl4H7N1O4S1 non-polymer 0.00 0.00 1JF 1JG Br1C11Cl1H7N1O4S2 non-polymer 0.00 0.00 1JG 1JH C20H17N1O5S1 non-polymer 0.00 0.00 1JH 1JJ C3H9O4P1 non-polymer 0.58 0.50 1JJ 1JK C13H13N1O3 non-polymer 0.55 0.41 1JK 1JL C20H17N1O5S1 non-polymer 0.00 0.00 1JL 1JM C11H13N1O4 D-peptide linking 0.50 0.50 1JM 1JN C19H20N2O1 non-polymer 0.00 0.00 1JN 1JO C20H29N3O6S1 non-polymer 0.00 0.00 1JO 1JP C20H27N3O7S1 non-polymer 0.00 0.00 1JP 1JQ C13H13N1O3 non-polymer 0.55 0.41 1JQ 1JR C16H12N4O1 non-polymer 0.00 0.00 1JR 1JS C23H25N3O5 non-polymer 0.38 0.29 1JS 1JT C20H22N2O1 non-polymer 0.00 0.00 1JT 1JU C19H18N2O2 non-polymer 0.00 0.00 1JU 1JV C22F3H21N6O2S1 non-polymer 0.50 0.18 1JV 1JX C8H9N3O1 non-polymer 0.00 0.00 1JX 1JY C32H33N5O10 non-polymer 0.68 0.45 1JY 1JZ C8H11N3O1 non-polymer 0.00 0.00 1JZ 1K0 C20H22N2O5 non-polymer 0.00 0.00 1K0 1K3 C24H26N6O1 non-polymer 0.00 0.00 1K3 1K4 C14H27N1O4 non-polymer 0.72 0.42 1K4 1K5 C15H11N1O3 non-polymer 0.00 0.00 1K5 1K6 C8H14O4 non-polymer 0.68 0.92 1K6 1K7 C13H20N2 non-polymer 0.00 0.00 1K7 1K9 C21F3H18N3O3S2 non-polymer 0.00 0.00 1K9 1KA C4H8O3 non-polymer 0.88 1.00 1KA 1KC C8H14O3S1 non-polymer 0.75 0.83 1KC 1KG C30H48O4 non-polymer 0.75 0.29 1KG 1KH As1C5H13O8 non-polymer 0.99 0.71 1KH 1KJ C7H16N4O3 non-polymer 0.47 1.00 1KJ 1KL C24H23N3O4S1 non-polymer 0.97 0.25 1KL 1KM C6H14N1O6P1S1 non-polymer 0.00 0.00 1KM 1KN C12H17N1O3 non-polymer 0.00 0.00 1KN 1KO C18Cl1H19N6O1 non-polymer 0.00 0.00 1KO 1KP C8Cl2H4N2O2 non-polymer 0.00 0.00 1KP 1KR C32H43N3O6 non-polymer 0.53 0.27 1KR 1KS C26F4H24N6O1 non-polymer 0.50 0.11 1KS 1KT C28H32N2O8 non-polymer 0.27 0.21 1KT 1KU C25H29N3O6S2 non-polymer 0.00 0.00 1KU 1KV C22H33N3O5 non-polymer 1.00 0.30 1KV 1KX C14H18N6O1 non-polymer 0.00 0.00 1KX 1KY C24H27N3O7S2 non-polymer 0.00 0.00 1KY 1KZ C23H26N2O8S2 non-polymer 0.59 0.26 1KZ 1L1 C9H18N2O4S1 D-peptide linking 0.00 0.00 1L1 1L2 C45H80O10 non-polymer 1.00 0.73 1L2 1L4 C23F1H25N4O3S1 non-polymer 0.00 0.00 1L4 1L5 C9H9N1O2 non-polymer 0.38 0.17 1L5 1L6 C23H28N6O2 non-polymer 0.38 0.06 1L6 1L7 C16H13N3O1 non-polymer 0.20 0.20 1L7 1L8 C23F4H25N3O3S1 non-polymer 0.00 0.00 1L8 1L9 C57Cl1H103N2O10 non-polymer 1.00 0.30 1L9 1LA C56H103N3O10 non-polymer 1.00 0.30 1LA 1LB C11H10N4O1 non-polymer 0.00 0.00 1LB 1LC C18H14N4O2 non-polymer 0.00 0.00 1LC 1LD C4F1H4N3O1 non-polymer 1.00 0.89 1LD 1LE C24H28N4O5 non-polymer 0.62 0.36 1LE 1LF C19F3H23N6O1 non-polymer 0.00 0.00 1LF 1LG C20Cl2H19N3O4S2 non-polymer 0.00 0.00 1LG 1LH C21Cl1F1H29N3O2 non-polymer 0.00 0.00 1LH 1LI C28F2H38N2O2 non-polymer 0.38 0.06 1LI 1LJ C19H18N4O3S1 non-polymer 0.00 0.00 1LJ 1LL C12H22O10S1 D-saccharide 1.00 0.96 1LL 1LM C9H8N2 non-polymer 0.00 0.00 1LM 1LN C7H11N2O1 non-polymer 0.00 0.00 1LN 1LP C9H10O1 non-polymer 0.38 0.70 1LP 1LQ C8H7N3 non-polymer 0.00 0.00 1LQ 1LR C14H11N1O4 non-polymer 0.00 0.00 1LR 1LS C18H22N4O2S2 non-polymer 0.00 0.00 1LS 1LT C19F3H22N5O2S1 non-polymer 0.38 0.07 1LT 1LU C6H12O3 non-polymer 0.00 0.00 1LU 1LW C11H12N2S1 non-polymer 0.00 0.00 1LW 1LX C7H7N3 non-polymer 0.00 0.00 1LX 1LY C7H7N3 non-polymer 0.00 0.00 1LY 1LZ C8H8N2O1 non-polymer 0.00 0.00 1LZ 1M0 C38H32N4O1 non-polymer 0.44 0.16 1M0 1M1 C19H14N4 non-polymer 0.00 0.00 1M1 1M2 C8H9N3 non-polymer 0.00 0.00 1M2 1M3 C26H35N7O2S1 non-polymer 0.39 0.14 1M3 1M4 Br1C14H16N3O2 non-polymer 0.00 0.00 1M4 1M5 C20Cl1H20N3O2 non-polymer 0.00 0.00 1M5 1M6 C21H20N4O2 non-polymer 0.00 0.00 1M6 1M7 C19H21N5O1 non-polymer 0.00 0.00 1M7 1M8 C22Cl1H19N2O2S1 non-polymer 0.00 0.00 1M8 1M9 C25F3H28N1O4 non-polymer 0.36 0.12 1M9 1MA C11H16N5O7P1 RNA linking 1.00 0.42 1MA 1MB C21F5H12N3O2 non-polymer 0.00 0.00 1MB 1MC C5H7N3O1 non-polymer 0.00 0.00 1MC 1MD C19Cl2H20N4O2 non-polymer 0.20 0.11 1MD 1ME C5H11N1O2S1 L-peptide linking 0.56 0.78 1ME 1MF C40H39N1O6 non-polymer 0.00 0.00 1MF 1MG C11H16N5O8P1 RNA linking 1.00 0.40 1MG 1MH C8H10N2O2 L-peptide linking 0.00 0.00 1MH 1MJ C8H6N2O1 non-polymer 0.00 0.00 1MJ 1MK C22Cl1F1H23N2Os1S1 non-polymer 0.00 0.00 1MK 1ML C32H36N2O6 non-polymer 0.36 0.10 1ML 1MM C14H15N5O6S1 non-polymer 0.97 0.15 1MM 1MN Br2C24H21N1O2 non-polymer 0.00 0.00 1MN 1MO C24Cl2H21N1O2 non-polymer 0.00 0.00 1MO 1MQ C28Cl2F1H24N1O4 non-polymer 0.50 0.22 1MQ 1MR C7H9N1 non-polymer 0.00 0.00 1MR 1MS C12H11N5O5S1 non-polymer 0.00 0.00 1MS 1MT C25Cl2F1H29N4O2 non-polymer 0.38 0.06 1MT 1MU C14H13N1O6S2 non-polymer 0.00 0.00 1MU 1MV C14H15N3O6P2S1 non-polymer 0.00 0.00 1MV 1MW C15H15N1O6S2 non-polymer 0.00 0.00 1MW 1MX C16H16N8O3 non-polymer 0.00 0.00 1MX 1MY C22Cl2H23N1O5 non-polymer 0.50 0.20 1MY 1MZ C4H7N2 non-polymer 0.00 0.00 1MZ 1N C28H37N13O2 non-polymer 1.00 0.23 1N 1N0 C14H20N2O4 non-polymer 0.00 0.00 1N0 1N1 C22Cl1H26N7O2S1 non-polymer 0.00 0.00 1N1 1N2 C10H12N2O4 non-polymer 0.00 0.00 1N2 1N3 Br1C21H25N6O2 non-polymer 0.00 0.00 1N3 1N4 C8H13N3O3 non-polymer 0.00 0.00 1N4 1N5 C7H14O5 non-polymer 0.86 1.00 1N5 1N6 C20F3H21N6O1 non-polymer 0.00 0.00 1N6 1N7 C32H59N2O8S1 non-polymer 0.20 0.07 1N7 1N8 C30F3H31N6O2 non-polymer 0.00 0.00 1N8 1N9 C37H46N6O7 non-polymer 0.00 0.00 1N9 1NA C9H17N1O6 saccharide 1.00 0.94 1NA 1NB C10H16O2 non-polymer 0.38 0.33 1NB 1ND C19F3H20N3O1 non-polymer 0.00 0.00 1ND 1NE C17F3H18N3O1 non-polymer 0.50 0.17 1NE 1NF C19F4H19N3O1 non-polymer 0.00 0.00 1NF 1NG C20F3H22N3O1 non-polymer 0.00 0.00 1NG 1NH C24H30O9P2 non-polymer 0.62 0.46 1NH 1NI C45H58N6O7 non-polymer 0.00 0.00 1NI 1NJ C28H31N5O6 non-polymer 0.57 0.26 1NJ 1NK C30H31N5O6 non-polymer 0.57 0.24 1NK 1NL C28H30N4O7 non-polymer 0.57 0.26 1NL 1NM C17F1H18N5O2S2 non-polymer 1.00 0.30 1NM 1NN C19F1H22N5O2S2 non-polymer 1.00 0.28 1NN 1NO C18F1H20N5O2S2 non-polymer 1.00 0.29 1NO 1NP C10H8O1 non-polymer 0.00 0.00 1NP 1NQ C22H26N6O3S2 non-polymer 0.50 0.15 1NQ 1NR C19H27N5O2S1 non-polymer 0.38 0.07 1NR 1NS C15H21N5O3S2 non-polymer 0.00 0.00 1NS 1NT C8H18O15P2 non-polymer 1.00 0.68 1NT 1NU C22F6H12N2O2 non-polymer 0.00 0.00 1NU 1NV C23F6H13N3O3 non-polymer 0.00 0.00 1NV 1NW C28F6H16N4O3 non-polymer 0.00 0.00 1NW 1NX C23H25N5O3 non-polymer 0.42 0.26 1NX 1NY C26H23N1O3 non-polymer 0.00 0.00 1NY 1NZ C28F6H14N4O3 non-polymer 0.00 0.00 1NZ 1O0 C27F6H15N3O2 non-polymer 0.00 0.00 1O0 1O1 C21H17N1O7S1 non-polymer 0.00 0.00 1O1 1O2 C43H80O10 non-polymer 1.00 0.58 1O2 1O3 Br1C19F1H13N1O5S1 non-polymer 0.00 0.00 1O3 1O5 C20H21N5O3S1 non-polymer 0.00 0.00 1O5 1O6 C24H29N1O4 non-polymer 0.36 0.14 1O6 1O8 C20H22O2 non-polymer 0.50 0.41 1O8 1O9 C27H32N4O3S1 non-polymer 0.38 0.06 1O9 1OA C18F1H18N5O2 non-polymer 0.00 0.00 1OA 1OB C21F1H14N5O2 non-polymer 0.00 0.00 1OB 1OC C26F2H24N8O1 non-polymer 0.00 0.00 1OC 1OD C31H34N4O10 non-polymer 0.00 0.00 1OD 1OG C16H21N1O9S1 non-polymer 0.56 0.63 1OG 1OH C15H16O1 non-polymer 0.38 0.12 1OH 1OJ C28H30N4O7S2 non-polymer 0.58 0.10 1OJ 1OK C28H30N4O5S1 non-polymer 0.58 0.11 1OK 1OL C10H21N1O3 peptide-like 0.60 0.50 1OL 1OM C23H26N2O1 non-polymer 0.20 0.12 1OM 1ON C9H8O1 non-polymer 0.00 0.00 1ON 1OO C21Cl1F5H11N3O3S1 non-polymer 0.00 0.00 1OO 1OP C14H21N1O4 L-peptide linking 0.00 0.00 1OP 1OQ C14F4H8N2 non-polymer 0.00 0.00 1OQ 1OR C16H24N5O6P1 non-polymer 1.00 0.36 1OR 1OS C8H12N3O3P1 non-polymer 0.00 0.00 1OS 1OT C10H12N3O3P1 non-polymer 0.00 0.00 1OT 1OU C8H13N4O3P1 non-polymer 0.00 0.00 1OU 1OV C5H15N4O3P1 non-polymer 0.00 0.00 1OV 1OX C16H12N4O1 non-polymer 0.00 0.00 1OX 1OY C27Cl2F2H31N3O3 non-polymer 0.38 0.05 1OY 1P0 C15H24N10O3 non-polymer 0.00 0.00 1P0 1P1 C52H60N24O10 non-polymer 0.00 0.00 1P1 1P2 C54H62N22O10 non-polymer 0.00 0.00 1P2 1P3 C8H15N1O1 non-polymer 0.00 0.00 1P3 1P4 C18H30N10O3 non-polymer 0.00 0.00 1P4 1P5 C20H26N8O1 non-polymer 0.00 0.00 1P5 1P6 C18F1H16N7 non-polymer 0.00 0.00 1P6 1P7 C8Cl1H6N1O1 non-polymer 0.00 0.00 1P7 1P8 Br1C8H6N1O1 non-polymer 0.00 0.00 1P8 1P9 Br1C22H22N3O4 non-polymer 0.00 0.00 1P9 1PA C11H13N1O4 L-peptide linking 0.00 0.00 1PA 1PB C16H16 non-polymer 0.38 0.25 1PB 1PC C17H25N1 non-polymer 0.00 0.00 1PC 1PD C21H22N6O6S2 non-polymer 0.00 0.00 1PD 1PE C10H22O6 non-polymer 0.88 1.00 1PE 1PF C26H33N3O2 non-polymer 0.00 0.00 1PF 1PG C11H24O6 non-polymer 0.88 1.00 1PG 1PH C21H18N4O3S1 non-polymer 0.00 0.00 1PH 1PI C9H18N4O1 L-peptide linking 0.00 0.00 1PI 1PJ C11H12O3 non-polymer 0.00 0.00 1PJ 1PK C11H9N3 non-polymer 0.00 0.00 1PK 1PL C15H22O2 non-polymer 0.00 0.00 1PL 1PM C23H25N7O5 non-polymer 0.00 0.00 1PM 1PN C13H17N1O5S1 non-polymer 0.62 0.85 1PN 1PO C30H45N1O7 non-polymer 0.60 0.50 1PO 1PP C20Cl2H20N4O1 non-polymer 0.38 0.07 1PP 1PQ C15H21N3O1 non-polymer 0.00 0.00 1PQ 1PR C15H29N5O15P2 RNA linking 1.00 0.54 1PR 1PS C8H11N1O3S1 non-polymer 0.00 0.00 1PS 1PT C6H14N2Pt1 non-polymer 0.00 0.00 1PT 1PU C17H16N4O2 non-polymer 0.00 0.00 1PU 1PV B1C27F2H25N2O6S1 non-polymer 0.50 0.10 1PV 1PW C20H40N1O6P1 non-polymer 0.58 0.46 1PW 1PX C34H68N1O6P1 non-polymer 0.56 0.24 1PX 1PY C9H8O3 non-polymer 0.56 0.58 1PY 1PZ C30H60N1O6P1 non-polymer 0.56 0.26 1PZ 1Q0 C36H70N1O6P1 non-polymer 0.56 0.36 1Q0 1Q1 C12F1H12N1O3 non-polymer 0.00 0.00 1Q1 1Q2 C12F1H14N1O3 non-polymer 0.00 0.00 1Q2 1Q3 C16H15N7O1 non-polymer 0.00 0.00 1Q3 1Q4 C13H16N4O1 non-polymer 0.00 0.00 1Q4 1Q5 C21H30N2O1 non-polymer 0.00 0.00 1Q5 1Q6 C17H25N5O2 non-polymer 0.43 0.42 1Q6 1Q7 C17H25N5O2 non-polymer 0.43 0.42 1Q7 1Q8 C8H9N1O2 non-polymer 0.00 0.00 1Q8 1Q9 C12H17N5O1 non-polymer 0.00 0.00 1Q9 1QA C19H14N4O4S1 non-polymer 0.00 0.00 1QA 1QB C11H13N1O1 non-polymer 0.00 0.00 1QB 1QC C21H28N6O4S3 non-polymer 1.00 0.41 1QC 1QE C24H22N4S2 non-polymer 0.00 0.00 1QE 1QF C27H29N5S2 non-polymer 0.00 0.00 1QF 1QG C19F1H19N4O1 non-polymer 0.00 0.00 1QG 1QJ C15F1H12N3O1 non-polymer 0.00 0.00 1QJ 1QK C21H29N6O2 non-polymer 0.00 0.00 1QK 1QL C16H19N3O7S2 non-polymer 1.00 0.61 1QL 1QM C18F1H17N4O1 non-polymer 0.00 0.00 1QM 1QN C17F1H17N4 non-polymer 0.00 0.00 1QN 1QO C16H14N4 non-polymer 0.00 0.00 1QO 1QP C10H10N2O2 non-polymer 0.75 0.36 1QP 1QQ C6H10O3 non-polymer 0.67 1.00 1QQ 1QR C20H22N4O3S1 non-polymer 0.00 0.00 1QR 1QS C21F2H15N3O3S1 non-polymer 0.00 0.00 1QS 1QT C32H44N2O3 non-polymer 0.00 0.00 1QT 1QU C33F3H37N4O4 non-polymer 1.00 0.25 1QU 1QV C7F4H2N2O2S2 non-polymer 0.00 0.00 1QV 1QW C15H30O4 non-polymer 0.98 0.53 1QW 1QX C15H32N3O3P1 non-polymer 0.00 0.00 1QX 1QY C17H36N3O3P1 non-polymer 0.00 0.00 1QY 1QZ C26H25N5O1 non-polymer 0.00 0.06 1QZ 1R0 C25H23N5O1 non-polymer 0.00 0.06 1R0 1R1 C19H40N3O3P1 non-polymer 0.00 0.00 1R1 1R2 C13H9N1O6 non-polymer 0.00 0.00 1R2 1R3 C21H45N2O9P1S1 non-polymer 0.62 0.29 1R3 1R4 C18H22N4O9S1 non-polymer 0.00 0.00 1R4 1R5 C15F1H10N1O2 non-polymer 0.00 0.00 1R5 1R6 C34H41N3O4 non-polymer 0.00 0.00 1R6 1R7 C25H30N4O4S1 non-polymer 0.00 0.00 1R7 1R8 C31H42N2O3 non-polymer 0.00 0.00 1R8 1R9 C21Cl1H18N3O2S1 non-polymer 0.00 0.00 1R9 1RA C23H23N3O4 non-polymer 0.00 0.00 1RA 1RB C12H15N2O7P1 non-polymer 1.00 0.45 1RB 1RC C18Cl1H17N2O4 non-polymer 0.00 0.00 1RC 1RD C23H36N6O4S2 non-polymer 0.00 0.00 1RD 1RE C22H30N6O4 non-polymer 1.00 0.28 1RE 1RF C4H13O7V1 non-polymer 0.81 0.58 1RF 1RG C22H27N3O7S1 non-polymer 0.50 0.27 1RG 1RH C32H33N5O4 non-polymer 0.45 0.17 1RH 1RK C30H33N3O7 non-polymer 0.00 0.00 1RK 1RN C12H16N3O10P1S1 RNA linking 1.00 0.59 1RN 1RO C18H13N3O1S2 non-polymer 0.00 0.00 1RO 1RP C10F1H13N3O9P1 non-polymer 1.00 0.79 1RP 1RQ C30H28N6O2 non-polymer 0.00 0.00 1RQ 1RR C38H47N5O7 non-polymer 0.39 0.18 1RR 1RS C13H15N5 non-polymer 0.00 0.00 1RS 1RT C5H5N3O3 non-polymer 1.00 1.00 1RT 1RU C23Cl2F1H22N5O2 non-polymer 1.00 0.36 1RU 1RV C9H9N5O2S2 non-polymer 0.00 0.00 1RV 1RY C8F1H13N3O12P3S1 non-polymer 1.00 0.29 1RY 1RZ C8H14N3O12P3S1 non-polymer 0.00 0.00 1RZ 1S0 C9H16N3O13P3 non-polymer 1.00 0.32 1S0 1S1 C12H17N9 non-polymer 1.00 0.71 1S1 1S3 C6H11O8P1 D-saccharide 1.00 0.80 1S3 1S5 C19H26N2O2 non-polymer 0.00 0.00 1S5 1S6 C19H21N3O5S1 non-polymer 0.35 0.29 1S6 1S7 C15H16N2O5S2 non-polymer 0.45 0.33 1S7 1S8 C29H24N4O3 non-polymer 0.00 0.00 1S8 1S9 C24H20N4O5 non-polymer 0.00 0.00 1S9 1SA C2H4N4O2S2 non-polymer 0.00 0.00 1SA 1SB C16H16N2O3 non-polymer 0.00 0.00 1SB 1SC C9H14N3O7P1S1 RNA linking 1.00 0.48 1SC 1SD C6H13N1O7S1 non-polymer 1.00 0.73 1SD 1SE C19H14N4O5 non-polymer 0.00 0.00 1SE 1SF C10H9N3O4 non-polymer 0.00 0.00 1SF 1SG C24H19N5O5 non-polymer 0.00 0.00 1SG 1SH C3H10N1O4P1 non-polymer 0.50 0.56 1SH 1SJ C15H26N4O4 non-polymer 0.00 0.00 1SJ 1SL C19H30N4O5 non-polymer 0.00 0.00 1SL 1SM C15H16N4O5S1 non-polymer 0.97 0.16 1SM 1SN C19H30N4O5 non-polymer 0.00 0.00 1SN 1SO C19H30N4O5 non-polymer 0.45 0.25 1SO 1SP C5H12O2 non-polymer 0.00 0.00 1SP 1SQ C9H8N2 non-polymer 0.00 0.00 1SQ 1SS C14H26N1 non-polymer 0.38 0.20 1SS 1ST C28H24N4O4 non-polymer 0.00 0.00 1ST 1SU C27F4H18N4O3S1 non-polymer 0.00 0.00 1SU 1SV C13H22N1 non-polymer 0.38 0.21 1SV 1SW C26F4H17N5O3S1 non-polymer 0.00 0.00 1SW 1SX C15H18N4O1S1 non-polymer 0.38 0.10 1SX 1SY C20H24N10O13P2 non-polymer 1.00 0.22 1SY 1SZ C58H71N21O10 non-polymer 0.20 0.03 1SZ 1T4 C18H13N1O1 non-polymer 0.00 0.00 1T4 1T5 C36H37N5O4 non-polymer 0.00 0.00 1T5 1T6 C31H28N4O3 non-polymer 0.00 0.00 1T6 1T7 C29H26N4O2 non-polymer 0.00 0.00 1T7 1T8 C41H54N6O6 non-polymer 0.38 0.04 1T8 1T9 C26H52N1O6P1 non-polymer 0.56 0.29 1T9 1TA C24F1H31O6 non-polymer 0.50 0.26 1TA 1TB C15H17N5O6S1 non-polymer 0.97 0.15 1TB 1TC C25Cl1H26N3O5 non-polymer 0.00 0.00 1TC 1TD C16H11N1O3 non-polymer 0.00 0.00 1TD 1TE C16H21N3O4S2 non-polymer 0.00 0.00 1TE 1TJ C19H12O5 non-polymer 0.00 0.00 1TJ 1TL C11H15N2O9P1 DNA linking 1.00 0.52 1TL 1TM C15H13N3O2 non-polymer 0.00 0.00 1TM 1TN C18H21N1O4 non-polymer 0.00 0.00 1TN 1TP C15H26N4O10P2S1 non-polymer 0.67 0.25 1TP 1TQ C12H13N3O4 L-peptide linking 0.00 0.00 1TQ 1TR C20F1H19N6 non-polymer 0.20 0.11 1TR 1TS C32Cl1H34N7O6S1 peptide-like 0.00 0.00 1TS 1TT C19Cl1F3H23N5O2 non-polymer 0.00 0.00 1TT 1TU C12F2H12N2O2 non-polymer 0.00 0.00 1TU 1TW C11H16N5O7P1Se1 DNA linking 1.00 0.36 1TW 1TX C8H15N1O4 L-peptide linking 0.69 0.46 1TX 1TY C17H18N2O4 L-peptide linking 0.00 0.00 1TY 1TZ C21H24N4O1 non-polymer 0.00 0.00 1TZ 1U0 C15H23N3O9P2S1 non-polymer 0.00 0.00 1U0 1U1 C5Cl1H4N1O4S2 non-polymer 0.00 0.00 1U1 1U2 C18H16N4O1 non-polymer 0.00 0.00 1U2 1U3 C13Cl1H11N2O4 non-polymer 0.81 0.35 1U3 1U4 C24H32N3O7P1 non-polymer 0.39 0.66 1U4 1U5 C10H14O4 non-polymer 0.00 0.00 1U5 1U6 C8H12N2O2S1 non-polymer 1.00 0.62 1U6 1U7 C15H21N1O1 non-polymer 0.00 0.00 1U7 1U8 C14H17N1O5 L-peptide linking 0.64 0.60 1U8 1U9 C21H20N2O1 non-polymer 0.25 0.08 1U9 1UA C15H16N2O1S1 non-polymer 0.00 0.00 1UA 1UC C7H7N1O5 non-polymer 0.93 1.00 1UC 1UD C18H24N6O5 non-polymer 1.00 0.34 1UD 1UE C16H12N4O1S1 non-polymer 0.00 0.00 1UE 1UF C19Cl1H18N5O6S1 non-polymer 0.68 0.38 1UF 1UG C20H14N4O1S1 non-polymer 0.00 0.00 1UG 1UH C23H21N5O1S1 non-polymer 0.00 0.00 1UH 1UJ C11H10N2O3S1 non-polymer 0.97 0.24 1UJ 1UK C15F3H12N5O1 non-polymer 0.00 0.00 1UK 1UL C23H21N7O2S1 non-polymer 0.00 0.00 1UL 1UN C32H45N3O4S1 non-polymer 0.39 0.12 1UN 1UO C22Cl1H19N6O2S1 non-polymer 0.00 0.00 1UO 1UP C14H15N3O3 non-polymer 0.00 0.00 1UP 1UQ C10H14N1O5P1S1 non-polymer 0.50 0.28 1UQ 1UR C16H10O4 non-polymer 0.00 0.00 1UR 1US C18Cl1H21O2 non-polymer 0.00 0.00 1US 1UT C17H15N1O2 non-polymer 0.20 0.15 1UT 1UV C19F1H20N3O4 non-polymer 0.00 0.00 1UV 1UW C18H14O4 non-polymer 0.75 0.23 1UW 1UX C22H29N5O3S2 non-polymer 1.00 0.44 1UX 1UZ C16H9N1O2 non-polymer 0.00 0.00 1UZ 1V0 C15H9N1O4 non-polymer 0.00 0.00 1V0 1V1 C15Cl1H9O2 non-polymer 0.00 0.00 1V1 1V2 C23Cl2H25N3O2S1 non-polymer 0.00 0.00 1V2 1V3 C15Cl1H9O2 non-polymer 0.00 0.00 1V3 1V4 C15F1H9O2 non-polymer 0.00 0.00 1V4 1V5 C26F1H26N5O2 non-polymer 0.00 0.00 1V5 1V6 C16H14N2S1 non-polymer 0.00 0.00 1V6 1V8 C16H10O4 non-polymer 0.00 0.00 1V8 1V9 C20H21N3O2 non-polymer 0.00 0.00 1V9 1VA C20H21N3O3 non-polymer 0.00 0.00 1VA 1VB C19H20N4O4S1 non-polymer 0.00 0.00 1VB 1VC C21H21N3O4 non-polymer 0.56 0.25 1VC 1VD C22H21N5O2 non-polymer 0.00 0.00 1VD 1VE C17H13N5O3 non-polymer 0.00 0.00 1VE 1VF C21H20N2O3 non-polymer 0.00 0.00 1VF 1VG C16H10N4O2 non-polymer 0.00 0.00 1VG 1VI C26F1H25N4O3S1 non-polymer 0.00 0.00 1VI 1VJ C13H13N3O5 non-polymer 0.81 0.33 1VJ 1VK C9H7N3O2 non-polymer 0.00 0.00 1VK 1VL C21H23N3O4 non-polymer 0.00 0.00 1VL 1VM C20H17N7S1 non-polymer 0.00 0.00 1VM 1VN C20Cl1H16N7S1 non-polymer 0.00 0.00 1VN 1VO C20H17N7S1 non-polymer 0.00 0.00 1VO 1VP C18H25N3O5 peptide-like 0.00 0.00 1VP 1VQ C6H10N4O5S1 non-polymer 0.00 0.00 1VQ 1VR C6H13N1O2 L-peptide linking 0.00 0.00 1VR 1VS C25H26N4O2S1 non-polymer 0.50 0.16 1VS 1VT C28H27N3O2S1 non-polymer 0.00 0.00 1VT 1VU C24H40N7O17P3S1 non-polymer 1.00 0.44 1VU 1VV C26H26N2O5 non-polymer 0.00 0.00 1VV 1VW C26H26N6O3 non-polymer 0.00 0.00 1VW 1VX C27H30N2O4 non-polymer 0.00 0.00 1VX 1VY C12H16N4O7 non-polymer 0.97 0.43 1VY 1VZ C21H33N3 non-polymer 0.00 0.00 1VZ 1W0 C16H16N4O2 non-polymer 0.00 0.00 1W0 1W1 C18F2H15N5O1 non-polymer 0.00 0.00 1W1 1W2 C18F2H15N5O1 non-polymer 0.00 0.00 1W2 1W3 C20H18O4 non-polymer 0.25 0.08 1W3 1W4 C25F1H24N1O2S1 non-polymer 0.25 0.07 1W4 1W5 C10H14N3O9P1 DNA linking 1.00 0.52 1W5 1W6 C16H13N3O4S2 non-polymer 0.61 0.32 1W6 1W7 C18H20N2O3S1 non-polymer 0.00 0.00 1W7 1W8 C22H21N8O5S4 non-polymer 0.50 0.21 1W8 1W9 C11H15N2O8P1 non-polymer 0.84 0.32 1W9 1WA C10H16N5O7P1 DNA linking 1.00 0.39 1WA 1WB C9H8O5 non-polymer 0.00 0.00 1WB 1WC C10Cl1H9N2 non-polymer 0.00 0.00 1WC 1WD C6H5N1O2S1 non-polymer 0.00 0.00 1WD 1WE C9H13N1 non-polymer 0.00 0.00 1WE 1WF C10H15N1O1 non-polymer 0.41 0.50 1WF 1WG C6H4O4 non-polymer 0.00 0.00 1WG 1WH C18Cl2H19N3O2 non-polymer 0.50 0.20 1WH 1WJ C18H24N6O5 non-polymer 1.00 0.34 1WJ 1WK C17H22N6O5 non-polymer 1.00 0.36 1WK 1WL C23H19N5O3 non-polymer 0.29 0.29 1WL 1WM C26H21N3O5 non-polymer 0.38 0.29 1WM 1WN C27H23N3O5 non-polymer 0.39 0.31 1WN 1WO C20H26O3 non-polymer 0.00 0.00 1WO 1WP C18Cl1H18N3O1 non-polymer 0.00 0.00 1WP 1WQ C21Cl1H21N2O2 non-polymer 0.00 0.00 1WQ 1WS C18F1H20N7O1 non-polymer 0.00 0.00 1WS 1WT C25H24N5O3 non-polymer 0.00 0.00 1WT 1WU B1C14F1H13N1O3 non-polymer 0.00 0.00 1WU 1WV C17H32O4 non-polymer 0.98 0.76 1WV 1WW C16Cl1H13I1N1O4 non-polymer 0.00 0.00 1WW 1WX Br1C16Cl1F4H9N1O4 non-polymer 0.00 0.00 1WX 1WY C22Cl1H20N5O2 non-polymer 0.00 0.00 1WY 1WZ C19H21N1O3 non-polymer 0.25 0.09 1WZ 1X0 C8H15N1O2 non-polymer 0.44 0.36 1X0 1X1 C10H11N1O2 non-polymer 0.00 0.00 1X1 1X2 C13H17N1S1 non-polymer 0.00 0.00 1X2 1X3 C37H51N5O9S1 non-polymer 0.00 0.00 1X3 1X4 C5H11O6P1 non-polymer 0.00 0.00 1X4 1X5 C18H19N3O3 non-polymer 0.00 0.00 1X5 1X6 C6H10N2O4 L-peptide linking 0.84 0.75 1X6 1X7 Br1C8H6N3O1S1 non-polymer 0.00 0.00 1X7 1X8 C9H8N4O2S1 non-polymer 0.00 0.00 1X8 1X9 C12H17N1O3 non-polymer 0.50 0.50 1X9 1XA C10H10N2O1 non-polymer 0.00 0.00 1XA 1XB C20Cl1H18N3O2S1 non-polymer 0.00 0.00 1XB 1XC C26F2H25N3O10P1S1 non-polymer 1.00 0.23 1XC 1XD C21F2H15N3O3S1 non-polymer 0.00 0.00 1XD 1XE C23H34N7O18P3S1 non-polymer 1.00 0.56 1XE 1XF C10H10N2O4S1 non-polymer 0.00 0.00 1XF 1XG C12H19N1O3 non-polymer 0.50 0.50 1XG 1XH C21H28O2 non-polymer 0.00 0.00 1XH 1XJ C47Cl1F3H55N5O6S3 non-polymer 0.00 0.00 1XJ 1XL C12H16N4O7 non-polymer 0.97 0.43 1XL 1XM C5H5N5S1 non-polymer 0.00 0.00 1XM 1XN C8H9N3 non-polymer 0.00 0.00 1XN 1XO C23H21N3O2S1 non-polymer 0.00 0.00 1XO 1XP C23Cl1F1H23N3O3 non-polymer 0.00 0.00 1XP 1XQ C27F1H29N4O4S1 non-polymer 0.00 0.00 1XQ 1XS C11Cl1F1H6O3 non-polymer 0.00 0.00 1XS 1XT C29H22N2O6 non-polymer 0.00 0.00 1XT 1XU C28Cl3H18N3O3S1 non-polymer 0.00 0.00 1XU 1XV C34Cl1H38N5O7S1 non-polymer 0.00 0.00 1XV 1XW C9H14N2O2 L-peptide linking 0.00 0.00 1XW 1XX C6H8O3 non-polymer 0.00 0.00 1XX 1XY C9H11N1O1 non-polymer 0.00 0.00 1XY 1Y0 C30H43N5O4 peptide-like 0.45 0.18 1Y0 1Y1 C48Cl1H52N7O8S1 non-polymer 0.50 0.08 1Y1 1Y2 C8F2H13N1O2 non-polymer 0.00 0.00 1Y2 1Y3 C10H18N2O3 non-polymer 0.00 0.00 1Y3 1Y4 C8H14N2O2 non-polymer 0.00 0.00 1Y4 1Y5 C10H13N1 non-polymer 0.00 0.00 1Y5 1Y6 C7F1H5O2 non-polymer 0.00 0.00 1Y6 1Y7 C7H17O10P1 non-polymer 1.00 0.78 1Y7 1Y8 As1C5H14O1 non-polymer 0.00 0.00 1Y8 1Y9 C12H18O3 non-polymer 0.38 0.13 1Y9 1YA C20H23N7O7 non-polymer 0.68 0.35 1YA 1YC C20H24N10O13P2 non-polymer 1.00 0.22 1YC 1YD C20H24N10O13P2 non-polymer 1.00 0.44 1YD 1YE C17H14O4 non-polymer 0.00 0.00 1YE 1YF C17H27N3O15P2 non-polymer 1.00 0.81 1YF 1YG C20H23N3O2S2 non-polymer 0.38 0.07 1YG 1YH C29H43N5O4 peptide-like 0.45 0.18 1YH 1YJ C19H23N7O6 non-polymer 0.68 0.38 1YJ 1YK C29H34O9 non-polymer 1.00 0.53 1YK 1YL C18H14O3 non-polymer 0.00 0.00 1YL 1YM C18F3H14N5O3S1 non-polymer 0.00 0.00 1YM 1YN C35Cl2H38N8O4 non-polymer 0.00 0.00 1YN 1YO C10H12N4S1 non-polymer 0.00 0.00 1YO 1YP C19F3H14N7O3S1 non-polymer 0.00 0.00 1YP 1YQ C21Cl1H16N3O4 non-polymer 0.17 0.10 1YQ 1YR Br1C21Cl1H15N3O4 non-polymer 0.17 0.10 1YR 1YS C26F7H31N2O3S1 non-polymer 0.38 0.05 1YS 1YT C27F4H36N2O4S1 non-polymer 0.62 0.26 1YT 1YU C26F7H31N2O3S1 non-polymer 0.38 0.05 1YU 1YV C19H22N2O2S1 non-polymer 0.00 0.00 1YV 1YW C16F1H20N3O2 non-polymer 0.00 0.00 1YW 1YX C19F1H27N4O4S1 non-polymer 0.00 0.00 1YX 1YY C23F3H30N3O4S2 non-polymer 0.33 0.20 1YY 1YZ C17H17N5O3 non-polymer 0.00 0.00 1YZ 1Z0 C29H35N7O5S1 peptide-like 0.32 0.21 1Z0 1Z1 C32H57N7O6S2 peptide-like 0.00 0.00 1Z1 1Z6 C10F1H9N2 non-polymer 0.00 0.00 1Z6 1Z7 C30H50N3O8P1 peptide-like 0.75 0.17 1Z7 1Z8 C10F3H7N2 non-polymer 0.00 0.00 1Z8 1ZB C12H14N4O2 peptide-like 0.30 0.39 1ZB 1ZC C10H9N3O3 non-polymer 0.00 0.00 1ZC 1ZD C35H68N11O8 peptide-like 0.00 0.00 1ZD 1ZG C22H32N3O8P1 peptide-like 0.00 0.00 1ZG 1ZK C45H62N7O7 peptide-like 0.43 0.36 1ZK 1ZN C20H29N1O3 peptide-like 0.50 0.42 1ZN 1ZQ C17F2H11N1O2 non-polymer 0.00 0.00 1ZQ 1ZT C5H9N1O3S1 peptide-like 0.59 0.90 1ZT 1ZV C30H50N7O5 peptide-like 0.00 0.00 1ZV 1ZW C9H8N2S1 non-polymer 0.00 0.00 1ZW 1ZZ C22H36N5O8P1 non-polymer 1.00 0.44 1ZZ 200 C9Cl1H10N1O2 L-peptide linking 0.00 0.00 200 201 C20H15N1O3 non-polymer 0.00 0.00 201 202 Br1H1O3 non-polymer 0.00 0.00 202 203 C4H4N4O3S1 non-polymer 0.00 0.00 203 204 C7H9N3O3 non-polymer 1.00 1.00 204 205 C14Cl2H7N1O3 non-polymer 0.00 0.00 205 207 C13H18N4O1 non-polymer 0.00 0.00 207 208 C24Cl1H23N2O4 non-polymer 0.62 0.29 208 209 C7H9N5O2 non-polymer 0.00 0.00 209 20A C21H25N5O2 non-polymer 0.00 0.00 20A 20B C15H10O3 non-polymer 0.00 0.00 20B 20C C16H11N1O5 non-polymer 0.00 0.00 20C 20D C15F1H9O2 non-polymer 0.00 0.00 20D 20E C27H44O7 non-polymer 0.55 0.35 20E 20F C18F1H12N5O2 non-polymer 0.00 0.00 20F 20G C17Cl2H22N2O3S1 non-polymer 0.00 0.00 20G 20H C16Cl2H20N2O3S1 non-polymer 0.00 0.00 20H 20J C8Cl1H7N2O2S1 non-polymer 0.00 0.00 20J 20K C17Cl1H18N5S1 non-polymer 0.20 0.12 20K 20L C13H14N1O1 non-polymer 0.00 0.00 20L 20M C22H28N6O4S2 non-polymer 0.00 0.00 20M 20N C12H14N2O2 non-polymer 0.00 0.00 20N 20O C21H18N2O3S1 non-polymer 0.00 0.00 20O 20P C15H14N2O1 non-polymer 0.00 0.00 20P 20Q C22Cl2H22N2O2 non-polymer 0.00 0.00 20Q 20R C20H16N4O3S1 non-polymer 0.00 0.00 20R 20S C20H36O12 non-polymer 1.00 0.84 20S 20T C26F3H24N4O10P1S1 non-polymer 1.00 0.22 20T 20U C30Cl2F1H29N4O3 non-polymer 0.38 0.05 20U 20V C18H15N4O14P1S2 non-polymer 1.00 0.33 20V 20W C29Cl2F1H29N4O4S1 non-polymer 0.38 0.05 20W 20X C14F1H18N3O5S1 non-polymer 1.00 0.50 20X 20Y C19H17N3O2S1 non-polymer 0.00 0.00 20Y 20Z C20H16N4O3S2 non-polymer 1.00 0.34 20Z 210 C3H11N1O7P2 non-polymer 0.00 0.00 210 211 C6H15N1O3 non-polymer 0.56 1.00 211 212 C4H13N1O7P2 non-polymer 0.00 0.00 212 213 C34F2H29N3O6P2 non-polymer 0.00 0.00 213 214 C38F2H32N4O6P2 non-polymer 0.00 0.00 214 215 C27H27N5O2 non-polymer 0.50 0.15 215 216 C25H30N2O3 non-polymer 0.36 0.27 216 217 C6H12O2 non-polymer 0.44 0.50 217 218 C14H19N4O1 non-polymer 0.00 0.00 218 219 C14H19O5P1 non-polymer 0.00 0.00 219 21A C18F1H12N5O2 non-polymer 0.00 0.00 21A 21B C19H21N1 non-polymer 0.00 0.00 21B 21C C15Cl2H21N3O4S1 non-polymer 0.00 0.00 21C 21D C10H8O6S2 non-polymer 0.00 0.00 21D 21E C17H19N5O1 non-polymer 0.39 0.22 21E 21F C16Cl1H23I1N3O4S1 non-polymer 0.00 0.00 21F 21G C20F2H19N5O2 non-polymer 0.00 0.00 21G 21H C2H6O3 non-polymer 0.00 0.00 21H 21J C18Cl2H24N2O6S1 non-polymer 0.00 0.00 21J 21K C15Cl2H21N3O3S1 non-polymer 0.00 0.00 21K 21L C32H29N1O9 non-polymer 0.69 0.21 21L 21M C15Cl2H20N2O4S1 non-polymer 0.00 0.00 21M 21N C15F3H18N3O5S1 non-polymer 1.00 0.44 21N 21O C19F3H15O5 non-polymer 0.58 0.37 21O 21P C21H26O4Si2 non-polymer 0.00 0.00 21P 21Q C20H27N3O5S1 non-polymer 0.62 0.10 21Q 21R C17Cl2H25N3O3S1 non-polymer 0.00 0.00 21R 21S C15Cl2H19N5O3S2 non-polymer 0.00 0.00 21S 21T C25H31N3O3 non-polymer 0.38 0.06 21T 21U C18Cl1H26N3O2 non-polymer 0.00 0.00 21U 21V C21H25N5O6 non-polymer 0.68 0.38 21V 21W C19H18N6O2S1 non-polymer 0.00 0.00 21W 21X C15H14N4O2S1 non-polymer 0.00 0.00 21X 21Y C16Cl2H21N3O3 non-polymer 0.00 0.00 21Y 21Z C16H14N4O3S2 non-polymer 1.00 0.40 21Z 220 C15H20O4 non-polymer 0.43 0.74 220 221 C12F6H9N3O1S1 non-polymer 0.00 0.00 221 222 C27Cl2F1H19N4O3 non-polymer 0.00 0.00 222 223 C12H17N5O2 non-polymer 0.00 0.00 223 224 C15Cl1H17N2O2 non-polymer 0.00 0.00 224 225 C18Cl2H19N1O4 non-polymer 0.97 0.36 225 226 C10H8O5 non-polymer 0.00 0.00 226 227 C24H29N5O4S1 non-polymer 0.00 0.00 227 228 C22H24N6O3 non-polymer 0.00 0.00 228 229 C11H16N4O4 non-polymer 0.72 0.42 229 22A C10H14N4O3 non-polymer 0.64 0.35 22A 22B C50H76O4 non-polymer 0.55 0.67 22B 22C C15Cl2H18N2O3 non-polymer 0.00 0.00 22C 22E C24H18N2O3 non-polymer 0.00 0.00 22E 22F C12F1H8N1O1 non-polymer 0.00 0.00 22F 22G C18H22N2O3 L-peptide linking 0.00 0.00 22G 22H C11H22N1O11P1 non-polymer 1.00 0.83 22H 22J C12F2H8O4 non-polymer 0.56 0.56 22J 22K Br1C16H20N7 non-polymer 0.00 0.00 22K 22L C12H8N2O1S1 non-polymer 0.00 0.00 22L 22M C16H15N3 non-polymer 0.00 0.00 22M 22N C14H24N2O4 non-polymer 0.00 0.00 22N 22O Br1C14H18N3O5S1 non-polymer 1.00 0.50 22O 22P C11H15N1O3 non-polymer 0.00 0.00 22P 22Q C9H12N2O2S1 non-polymer 0.00 0.00 22Q 22S C14Cl1H18N3O5S1 non-polymer 1.00 0.50 22S 22T C13Cl1H13N2O2 non-polymer 0.00 0.00 22T 22U C21Cl1H24N3O2 peptide-like 0.00 0.00 22U 22W C9H12N2O2S1 non-polymer 0.00 0.00 22W 22X C28Cl1H45N4O3 non-polymer 0.00 0.00 22X 22Y C19Cl1H17N4O2 non-polymer 0.00 0.00 22Y 22Z C19H25N5O3 non-polymer 0.00 0.00 22Z 230 C24Cl1F1H22N4O4 non-polymer 0.00 0.00 230 231 C9H8N2 non-polymer 0.00 0.00 231 232 C49H56N6O2 non-polymer 0.00 0.00 232 233 C14H26N2O8 non-polymer 1.00 0.71 233 234 C21F1H16N1O7 non-polymer 0.97 0.27 234 235 C20H27N2O6P1S1 non-polymer 0.00 0.00 235 237 C26Cl1F1H25N3O5S1 non-polymer 0.00 0.00 237 238 C23Cl1F1H15N1O2 non-polymer 0.00 0.00 238 239 C19H18N4O1 non-polymer 0.00 0.00 239 23A C7H6O3 non-polymer 0.00 0.00 23A 23B C5H10O4 non-polymer 0.98 1.00 23B 23C C22H15N1O6 non-polymer 0.00 0.00 23C 23D C19Cl1H24N7 non-polymer 0.00 0.00 23D 23E C38H38N4O5 non-polymer 0.58 0.11 23E 23F C9H9N1O2 peptide linking 0.93 0.33 23F 23G C10H13N5O10P2 RNA OH 3 prime terminus 1.00 0.37 23G 23H C28H33N7O3 non-polymer 0.42 0.08 23H 23I C36H55N5O7S1 non-polymer 0.36 0.24 23I 23J C8H6O3S1 non-polymer 0.40 0.67 23J 23K C27F1H38N3O4S1 non-polymer 0.39 0.14 23K 23L C27F1H35N2O6S1 non-polymer 0.00 0.00 23L 23M C16H15N3 non-polymer 0.00 0.00 23M 23N C10H11N1O4 non-polymer 0.00 0.00 23N 23P C6H12N2O3 L-peptide linking 0.54 1.00 23P 23Q C22F1H27N2O2 non-polymer 0.00 0.00 23Q 23R C29H46O4 non-polymer 0.60 0.18 23R 23S C9H10N2O2Se1 L-peptide linking 0.00 0.00 23S 23T C10H17N2O13P3 non-polymer 1.00 0.32 23T 23U C27Cl1H28N3O2 non-polymer 0.00 0.00 23U 23V C14Cl1H18N3O5S1 non-polymer 1.00 0.50 23V 23W C5H8O3 non-polymer 0.97 1.00 23W 23X C30H42N4O5S2 non-polymer 0.00 0.00 23X 23Y C34H32O11 non-polymer 1.00 0.27 23Y 23Z C32F3H40N5O4S1 non-polymer 0.58 0.16 23Z 240 C28F3H24N1O6 non-polymer 0.98 0.16 240 241 C28F3H24N1O6 non-polymer 0.98 0.16 241 242 C23F3H17N4O1 non-polymer 0.00 0.00 242 243 C18H32O3 non-polymer 0.46 0.48 243 244 C16H11N1O3 non-polymer 0.00 0.00 244 245 C12Cl1H10N3O1 non-polymer 0.00 0.00 245 246 C13Cl1H12N3O1 non-polymer 0.00 0.00 246 247 C9F2H9N1O3 non-polymer 0.93 0.27 247 24A C20H28N6O5P2 non-polymer 0.00 0.00 24A 24B C7F2H6O1 non-polymer 0.00 0.00 24B 24D C17Cl2H18N4O2 non-polymer 0.00 0.00 24D 24E C22H15N1O3S1 non-polymer 0.00 0.00 24E 24F C23H30N2O7S2 non-polymer 0.58 0.12 24F 24G C29H51N3O18P2 non-polymer 1.00 0.42 24G 24H C9H14N5O6P1 non-polymer 0.00 0.00 24H 24I C13H16I1O6P1 non-polymer 0.00 0.00 24I 24K C19H27N5O1 non-polymer 0.00 0.00 24K 24L C32H29N1O9 non-polymer 0.62 0.07 24L 24M C12H23N1O3 peptide-like 0.00 0.00 24M 24O C12H21N1O4 peptide-like 0.00 0.00 24O 24P C18H21N1O1 non-polymer 0.00 0.00 24P 24Q C28H31N3O4S1 non-polymer 0.50 0.14 24Q 24R C21H23N7O1S1 non-polymer 0.00 0.00 24R 24S C14H18N4O7S1 non-polymer 1.00 0.46 24S 24T C4H6N2S1 non-polymer 0.00 0.00 24T 24U C17H24N4O2 non-polymer 0.00 0.00 24U 24V C23H26N8 non-polymer 0.00 0.00 24V 24W C9H12N2 non-polymer 0.00 0.00 24W 24X C27H29N5O3 non-polymer 0.38 0.06 24X 24Y C19Cl1H14N5O1 non-polymer 0.00 0.00 24Y 24Z C17H19N5O5 non-polymer 0.00 0.00 24Z 250 C9H20N2O5S1 non-polymer 0.00 0.00 250 251 C19H18N4O1 non-polymer 0.00 0.00 251 252 C9H22O7P2 non-polymer 0.00 0.00 252 253 C19H18N4O2 non-polymer 0.00 0.00 253 254 C26H27N1O3 non-polymer 0.00 0.00 254 255 C24H24N4O2S1 non-polymer 0.39 0.16 255 256 C8H8O5S1 non-polymer 0.00 0.00 256 258 C8Cl1H9O1 non-polymer 0.00 0.00 258 259 C7H7N1O2S1 non-polymer 0.00 0.00 259 25A C30H38N15O19P3 non-polymer 1.00 0.45 25A 25B C27Cl1H34N1O4S1 non-polymer 0.00 0.00 25B 25D C30H35N3O4 non-polymer 0.93 0.30 25D 25E C14H19N3O6S1 non-polymer 1.00 0.50 25E 25F Br1C14H9N2O1 non-polymer 0.00 0.00 25F 25G C27H28N6O1 non-polymer 0.00 0.00 25G 25H C9H14N5O5P1 non-polymer 0.56 0.30 25H 25K C15H17N5 non-polymer 0.00 0.00 25K 25L C30H40N15O25P5 non-polymer 1.00 0.40 25L 25N B1C14H23O2 non-polymer 0.38 0.35 25N 25O C12H11N5 non-polymer 0.00 0.00 25O 25P C21Cl1H23N1O4 non-polymer 0.00 0.00 25P 25Q C18H15N5O2 non-polymer 0.00 0.00 25Q 25R C6H8N2 non-polymer 0.00 0.00 25R 25S C33F3H29N6O2 non-polymer 0.00 0.00 25S 25T C4H7N2S1 non-polymer 0.00 0.00 25T 25U C19H18N6 non-polymer 0.00 0.08 25U 25V C18H16N2O2 non-polymer 0.00 0.00 25V 25W C6H13N1O4 non-polymer 1.00 1.00 25W 25X B10C3H5N2O2S1 non-polymer 0.00 0.00 25X 25Y B10C3H5N2O2S1 non-polymer 0.00 0.00 25Y 25Z C17F3H12N3O1S1 non-polymer 1.00 0.40 25Z 260 Br1C7F2H5 non-polymer 0.00 0.00 260 261 C8H10O2 non-polymer 0.00 0.00 261 262 C7H7O5P1 non-polymer 0.00 0.00 262 263 C8H9N3 non-polymer 0.00 0.00 263 264 C8H8N2 non-polymer 0.00 0.00 264 265 C4H3N1O2S1 non-polymer 0.00 0.00 265 266 C5H12O1S1 non-polymer 0.00 0.00 266 267 C8H9N3 non-polymer 0.00 0.00 267 268 C8H10O2 non-polymer 0.00 0.00 268 269 C9Cl1H11O1 non-polymer 0.00 0.00 269 26A C12H17N5O4 non-polymer 1.00 0.48 26A 26B C29H35N3O5 L-peptide COOH carboxy terminus 0.67 0.38 26B 26C C13F2H8O2 non-polymer 0.00 0.00 26C 26D C5H7N3 non-polymer 0.00 0.00 26D 26E B9C3H5N2O2S1 non-polymer 0.00 0.00 26E 26F C26F3H28N5O7S1 non-polymer 1.00 0.21 26F 26G C14H17N3O1 non-polymer 0.00 0.00 26G 26J C20F3H25N4O2S1 non-polymer 0.00 0.00 26J 26K C13H17N7 non-polymer 0.20 0.15 26K 26L C22H23N5 non-polymer 0.00 0.00 26L 26M C20H23N1O7 saccharide 1.00 0.57 26M 26N C34F4H30N6O2 non-polymer 0.00 0.00 26N 26O C14H19N3O6S1 non-polymer 1.00 0.50 26O 26P C7H11N1O5 non-polymer 0.69 1.00 26P 26Q C21H23N1O6 saccharide 1.00 0.61 26Q 26R C19H29N1O6 saccharide 1.00 0.69 26R 26S C27H33N5O6S1 non-polymer 1.00 0.23 26S 26T C5H9O7P1 non-polymer 0.95 0.69 26T 26U C19H28N4O2 non-polymer 0.00 0.00 26U 26V C20H29N1O6 saccharide 1.00 0.63 26V 26W C18H27N1O6 saccharide 1.00 0.72 26W 26Y C18H25N1O6 saccharide 1.00 0.68 26Y 26Z C16H15N5O3S2 non-polymer 1.00 0.38 26Z 270 C7H7N3 non-polymer 0.00 0.00 270 271 C8H11N1 non-polymer 0.00 0.00 271 272 C13H9N1O4 non-polymer 0.00 0.00 272 273 C6H12N2 non-polymer 0.00 0.00 273 274 C28Cl1H30N5O4S1 non-polymer 0.00 0.00 274 275 C7H11N2 non-polymer 0.00 0.00 275 276 C21Cl1F3H15N5O2 non-polymer 0.50 0.12 276 277 C17F1H30N3O2 non-polymer 0.57 0.22 277 278 C6H10N2 non-polymer 0.00 0.00 278 279 C19H22N6O3 non-polymer 0.78 0.36 279 27A C13H19N5S1 non-polymer 0.00 0.00 27A 27B Br1C11H7O2 non-polymer 0.00 0.00 27B 27C C9F1H18O7P1 saccharide 1.00 0.78 27C 27D C23F1H19N6O1 non-polymer 0.00 0.00 27D 27E C10Cl10O1 non-polymer 0.00 0.00 27E 27F C15H9N3O1 non-polymer 0.00 0.00 27F 27G C19H20O4 non-polymer 0.62 0.57 27G 27H C22H30O4 non-polymer 0.00 0.00 27H 27I C16H23N9O1 non-polymer 1.00 0.54 27I 27J C18H26O5 non-polymer 0.00 0.00 27J 27K C11H14O3 non-polymer 0.62 0.43 27K 27L C14H22O1 non-polymer 0.38 0.40 27L 27M C13H10O5 non-polymer 0.00 0.00 27M 27N C14Cl3H11O2 non-polymer 0.00 0.00 27N 27O C19H22O2 non-polymer 0.42 0.38 27O 27P C19H23N1O1 non-polymer 0.00 0.00 27P 27Q C16H33N2O7P1 non-polymer 0.62 0.38 27Q 27R Br1C15H12N1O3 non-polymer 0.00 0.00 27R 27S C16H23N3O5S1 non-polymer 0.00 0.00 27S 27U C22H26N4O2 non-polymer 0.00 0.00 27U 27V C16H23N3O5S1 non-polymer 0.00 0.00 27V 27W C10H23N1O1 non-polymer 0.00 0.00 27W 27X C13H12N4O3 non-polymer 0.97 0.20 27X 27Y Br1C5H4N1O2 non-polymer 0.00 0.00 27Y 27Z C10H11N5O3S2 non-polymer 1.00 0.50 27Z 280 C5H6N2O1 non-polymer 0.00 0.00 280 281 C20H25N4O6P1S2 non-polymer 0.00 0.00 281 282 C6H7N1O1 non-polymer 0.00 0.00 282 283 C14H17N1O3S2 non-polymer 0.50 0.25 283 284 C6H12N2 non-polymer 0.00 0.00 284 285 C6H13N1O1 non-polymer 0.00 0.00 285 286 C8H10N1 non-polymer 0.38 0.22 286 287 C25H26N6O3 non-polymer 0.78 0.38 287 288 C18Cl1H24N3O3 non-polymer 0.62 0.40 288 289 C7H14O7 D-saccharide 1.00 1.00 289 28A C12H11N1O3 non-polymer 0.00 0.00 28A 28B C12H8N2O2 non-polymer 0.00 0.00 28B 28C C14H15N5O1 non-polymer 0.00 0.00 28C 28D C21H18N6O3 non-polymer 0.15 0.17 28D 28E C15H14O6 non-polymer 0.00 0.00 28E 28F C18H20N6O3S1 non-polymer 0.00 0.00 28F 28G C21H24N6O3S1 non-polymer 0.36 0.13 28G 28H C7H14O3 non-polymer 0.70 0.80 28H 28I C16H21N7O2 non-polymer 1.00 0.56 28I 28J C6H13N1O2 D-peptide linking 0.58 1.00 28J 28K C7H10O4 non-polymer 0.50 0.82 28K 28L C27H29N3O5S1 non-polymer 0.38 0.06 28L 28M C25H32N4O4S1 non-polymer 0.38 0.06 28M 28N Br1C9H5N2O3 non-polymer 0.00 0.00 28N 28O C16H19N1O2 non-polymer 0.38 0.11 28O 28P C20H25N1O3 non-polymer 0.67 0.46 28P 28Q C25H30N2O4S1 non-polymer 0.38 0.06 28Q 28R C24H25N3O5S1 non-polymer 0.38 0.06 28R 28S Br1C11H10N3 non-polymer 0.36 0.27 28S 28T C13H20N2O4 non-polymer 0.00 0.00 28T 28U C15H26O1 non-polymer 0.55 0.94 28U 28V C24H27N3O4S1 non-polymer 0.38 0.06 28V 28W C24Cl1H28N5O5 non-polymer 0.00 0.00 28W 28X C8H18N1O8P1 L-peptide linking 0.81 0.89 28X 28Y C7H5N5O1 non-polymer 0.00 0.00 28Y 28Z C24H26N8O9 non-polymer 0.68 0.51 28Z 290 C6H6N4O1 non-polymer 0.00 0.00 290 291 C11H19N1O8 D-saccharide 1.00 0.85 291 292 C18H17N3O1 non-polymer 0.00 0.00 292 293 C7H14O6 D-saccharide 1.00 1.00 293 294 C19F3H18N1O6S1 non-polymer 0.00 0.00 294 295 C9F1H9O4 non-polymer 0.88 0.71 295 296 C10F2H11N1O3 non-polymer 0.93 0.25 296 297 C12H28N2 non-polymer 0.00 0.00 297 298 C12H20N2 non-polymer 0.50 0.50 298 299 C9H9O6P1 non-polymer 0.00 0.00 299 29A C21Cl1F2H18N3O4 non-polymer 0.64 0.19 29A 29B C14F1H10N3 non-polymer 0.00 0.00 29B 29C C29H33N9O12 non-polymer 0.68 0.60 29C 29D C34H40N10O15 non-polymer 0.68 0.66 29D 29E C18H19N1O1S1 non-polymer 0.00 0.00 29E 29F C18H18N2O1 non-polymer 0.38 0.10 29F 29G C6H6N6 non-polymer 0.00 0.00 29G 29H C6H5N5O1 non-polymer 0.00 0.00 29H 29J C16H25N1O2 non-polymer 0.20 0.16 29J 29K C28H30N4O1 non-polymer 0.00 0.00 29K 29L C19H18N4O2 non-polymer 0.00 0.00 29L 29M C28F1H32N3O3S1 non-polymer 0.00 0.00 29M 29N C12H21N3O3 non-polymer 0.00 0.00 29N 29O Br3C12H12N3O3 non-polymer 0.00 0.00 29O 29P C20H24N2O9 non-polymer 0.00 0.00 29P 29Q C16Cl1H13N2O1 non-polymer 0.00 0.00 29Q 29R C16H24N5O5 non-polymer 0.00 0.00 29R 29S C30H34N2O3 non-polymer 0.00 0.00 29S 29T C21H16N4O4 non-polymer 0.00 0.00 29T 29U C17H25N5O2 non-polymer 0.00 0.00 29U 29V C21H26O2 non-polymer 0.58 0.43 29V 29W C19H18N2O6S1 non-polymer 0.00 0.00 29W 29X C20F1H19N2O2 non-polymer 0.00 0.00 29X 29Y C23H23N5O1S1 non-polymer 0.20 0.10 29Y 29Z C25H24N4O1S1 non-polymer 0.20 0.10 29Z 2A0 C12H26N2O2 peptide-like 0.00 0.00 2A0 2A1 C3H9N1O1 non-polymer 0.50 1.00 2A1 2A2 C14Cl1H19N2O1S1 non-polymer 0.00 0.00 2A2 2A3 C3H9N1O1 non-polymer 0.50 1.00 2A3 2A4 C48H58N6O8 non-polymer 0.65 0.13 2A4 2A5 C12H19N5O10P2 non-polymer 1.00 0.38 2A5 2A6 C18H21N5O1 non-polymer 0.00 0.00 2A6 2A7 C7H8O3 non-polymer 0.00 0.00 2A7 2A8 C21H18N2O1 non-polymer 0.00 0.00 2A8 2A9 C8H10O3 non-polymer 0.00 0.00 2A9 2AA C23H31N5O13P2S1 non-polymer 1.00 0.39 2AA 2AB C8H11N1O2S1 non-polymer 0.00 0.00 2AB 2AC C7H9N1O1 non-polymer 0.00 0.00 2AC 2AD C10H14N6O3 L-peptide linking 1.00 0.53 2AD 2AE C7H8N2O1 non-polymer 0.00 0.00 2AE 2AF C6H7N1O1 non-polymer 0.00 0.00 2AF 2AG C5H9N1O2 L-peptide linking 0.50 1.00 2AG 2AH C39H45N5O6 non-polymer 0.38 0.04 2AH 2AI C3H5N3 non-polymer 0.00 0.00 2AI 2AJ C46H54N4O5Si2 non-polymer 0.25 0.05 2AJ 2AK Br1C9H6N1O2 non-polymer 0.00 0.00 2AK 2AL C4H4N4O3 non-polymer 1.00 0.64 2AL 2AM C10H14N5O7P1 non-polymer 1.00 0.43 2AM 2AN C16H13N1O3S1 non-polymer 0.00 0.00 2AN 2AO C6H15N1O1 L-peptide linking 0.00 0.00 2AO 2AP C5H7N2 non-polymer 0.00 0.00 2AP 2AQ C9H8N2 non-polymer 0.00 0.00 2AQ 2AR C11H16N5O5P1 DNA linking 1.00 0.41 2AR 2AS C5H9N1O4 L-peptide linking 0.68 1.00 2AS 2AT C13H19N2O9P1 RNA linking 1.00 0.84 2AT 2AU C9H14N3O8P1 RNA linking 1.00 0.48 2AU 2AV C46H54N4O3S2Si2 non-polymer 0.25 0.05 2AV 2AW C14H23N1O9S1 non-polymer 0.59 0.68 2AW 2AX C15H15N1O4S1 non-polymer 0.00 0.00 2AX 2AY C26H26N2O6S1 non-polymer 0.38 0.06 2AY 2AZ C28Cl1H30N5O2 non-polymer 0.00 0.00 2AZ 2B0 C9H12N1O5P1 non-polymer 0.00 0.00 2B0 2B1 C15H15N4O5P1S1 non-polymer 0.00 0.00 2B1 2B2 C14F3H13N2O1S1 non-polymer 0.00 0.00 2B2 2B3 C17F3H20N3O3S2 non-polymer 0.00 0.00 2B3 2B4 Br1C9H7O5 non-polymer 0.81 0.53 2B4 2B5 C21H18N2O5 non-polymer 0.00 0.00 2B5 2B6 C16H15N4O6P1S1 non-polymer 0.00 0.00 2B6 2B7 C20H23N5O2S1 non-polymer 0.36 0.14 2B7 2B8 C14H23N3O2 non-polymer 0.00 0.00 2B8 2B9 C14H15N4O6P1 non-polymer 0.25 0.20 2B9 2BA C20H24N10O12P2 non-polymer 1.00 0.45 2BA 2BB C16H31N3O5 non-polymer 0.47 0.83 2BB 2BC Br2C18H12N2O3 non-polymer 0.25 0.20 2BC 2BD C14H19N4O8P1 DNA linking 1.00 0.56 2BD 2BE Br2C14Cl1H9N2O3 non-polymer 0.25 0.23 2BE 2BF C14H16N1O3P1 non-polymer 0.00 0.00 2BF 2BG C8H8N2S1 non-polymer 0.00 0.00 2BG 2BH B1C6H13N1O5 non-polymer 0.38 0.31 2BH 2BI C10Cl3H7N2O3S1 non-polymer 0.00 0.00 2BI 2BJ C22H18N2O6 non-polymer 0.00 0.00 2BJ 2BK C12H19N2O8P1 non-polymer 0.72 0.35 2BK 2BL C13H17N1O6S1 non-polymer 0.65 0.52 2BL 2BM Br2C1H2 non-polymer 0.00 0.00 2BM 2BN C9H17N1 non-polymer 0.00 0.00 2BN 2BO C12H19N2O8P1 non-polymer 0.72 0.35 2BO 2BP C5H5N5 non-polymer 0.00 0.00 2BP 2BQ C9Cl1H12N1O4S1 non-polymer 0.00 0.00 2BQ 2BR Br1C6H5O1 non-polymer 0.00 0.00 2BR 2BS C10H10N2O2S1 non-polymer 0.75 0.33 2BS 2BT C14H23N2O9P1 RNA linking 1.00 0.69 2BT 2BU C14H22N5O9P1 DNA linking 1.00 0.59 2BU 2BV C18Cl2H28N1O3P1 non-polymer 0.00 0.00 2BV 2BW C8H20N1O4P1 non-polymer 0.65 0.50 2BW 2BX C8H15N1O3 non-polymer 0.00 0.00 2BX 2BY C9Cl1H13N1O3P1 non-polymer 0.00 0.00 2BY 2BZ C17Cl1H10N5O2 non-polymer 0.00 0.00 2BZ 2C0 C10Cl1H12N1O2 non-polymer 0.00 0.00 2C0 2C1 Br1C16H20N5O5S2 non-polymer 0.56 0.17 2C1 2C2 C10H8O4 non-polymer 0.00 0.00 2C2 2C3 C25Cl2H22N6O4 non-polymer 0.00 0.00 2C3 2C4 C17Cl1H13N4O5 non-polymer 0.97 0.15 2C4 2C5 C25Cl2H17N5O1 non-polymer 0.00 0.00 2C5 2C6 C25H25N5O3S1 non-polymer 0.00 0.00 2C6 2C7 C16H21N1O5S2 non-polymer 0.00 0.00 2C7 2C8 C25H19N5O3 non-polymer 0.00 0.00 2C8 2C9 C7H10N2 non-polymer 0.00 0.00 2C9 2CA C26H30N4O6S1 non-polymer 0.00 0.00 2CA 2CB C18H29N7O2S1 non-polymer 0.00 0.00 2CB 2CC C22Cl2H13N3O4 non-polymer 0.00 0.00 2CC 2CD C23Cl2H28N4O2S1 non-polymer 0.00 0.00 2CD 2CE C24Cl1H31N6O5S1 non-polymer 0.67 0.30 2CE 2CF C15F1H27O7P2 non-polymer 0.50 0.64 2CF 2CG C7H9N1O6 non-polymer 0.00 0.00 2CG 2CH C6Cl1H5O1 non-polymer 0.00 0.00 2CH 2CJ C26H32N2O3 non-polymer 0.00 0.00 2CJ 2CK C9H11N1 non-polymer 0.00 0.00 2CK 2CL C8Cl2H6O2 non-polymer 0.00 0.00 2CL 2CM C7Cl1H8N1 non-polymer 0.00 0.00 2CM 2CN Br1C22H27O3S1 non-polymer 0.00 0.00 2CN 2CO C3H7N1O4S1 L-peptide linking 0.00 0.00 2CO 2CP C25H42N7O18P3S1 non-polymer 1.00 0.54 2CP 2CQ C7Cl1H9N2 non-polymer 0.00 0.00 2CQ 2CR C28H43N1O6 non-polymer 0.00 0.00 2CR 2CS C34Cl1H35N2O3S1 non-polymer 0.93 0.29 2CS 2CT C16H18N1O7P1 non-polymer 0.00 0.00 2CT 2CU C19Cl1H24N5O3S1 non-polymer 0.00 0.00 2CU 2CV C18H37N1O7 non-polymer 0.97 0.58 2CV 2CW C22H19N3O4 non-polymer 0.58 0.38 2CW 2CX C21H22N2O4S1 non-polymer 0.00 0.00 2CX 2CY C17F1H17N4O2 non-polymer 0.83 0.21 2CY 2CZ C8H16N2O4 non-polymer 0.00 0.00 2CZ 2D0 C7Cl1H5N2S1 non-polymer 0.00 0.00 2D0 2D1 C15H20N2O2S2 non-polymer 0.00 0.00 2D1 2D2 C12H10O3 non-polymer 0.00 0.00 2D2 2D3 C9H9N3O3 non-polymer 0.97 0.27 2D3 2D4 C20H15N1O4S2 non-polymer 0.00 0.00 2D4 2D5 C23H29N7O4S1 non-polymer 1.00 0.26 2D5 2D6 C24H24N4O3S1 non-polymer 0.00 0.00 2D6 2D7 C18Cl1H14N3O4 non-polymer 0.62 0.12 2D7 2D8 C6H14N1O4P1 non-polymer 0.69 0.50 2D8 2D9 C21Cl1H23N4O4S1 non-polymer 0.00 0.00 2D9 2DA C10H14N5O5P1 DNA linking 0.00 0.00 2DA 2DB B1C3H10O6 non-polymer 0.98 0.60 2DB 2DC C27H46O3 non-polymer 0.45 0.20 2DC 2DD C17Cl1H15N4O5S1 non-polymer 0.00 0.00 2DD 2DE C14H26O7P2 non-polymer 0.62 0.65 2DE 2DF C6H12N1O7P1 DNA linking 1.00 0.60 2DF 2DG C6H12O5 saccharide 1.00 1.00 2DG 2DH C19F3H15N2O6S1 non-polymer 0.00 0.00 2DH 2DI C10H12N4O3 non-polymer 0.00 0.00 2DI 2DJ C22H24N2O6S1 non-polymer 0.38 0.06 2DJ 2DK C16H19N3O7S1 non-polymer 0.00 0.00 2DK 2DL C12H17N1O3 non-polymer 0.50 0.44 2DL 2DM C20H19O6P1 DNA linking 1.00 0.22 2DM 2DN C16H15N5O7S2 non-polymer 0.00 0.00 2DN 2DO C6H15N1O2 L-peptide linking 0.00 0.00 2DO 2DP C47H98O11P2 non-polymer 1.00 0.37 2DP 2DQ C19H18N2O7S1 non-polymer 0.00 0.00 2DQ 2DR C5H10O4 non-polymer 1.00 1.00 2DR 2DS C20H20N2O11 non-polymer 0.84 0.52 2DS 2DT C10H15N2O7P1 DNA linking 1.00 0.45 2DT 2DU C19H18N2O6S1 non-polymer 0.00 0.00 2DU 2DV C20F3H17N2O6S1 non-polymer 0.00 0.00 2DV 2DW C22H18N2O6S1 non-polymer 0.00 0.00 2DW 2DX C30H45N5O4 non-polymer 0.00 0.00 2DX 2DY C34H45N5O4 non-polymer 0.00 0.00 2DY 2DZ C19F3H14N3O8S1 non-polymer 0.00 0.00 2DZ 2E1 C16Cl1H20N5O3 non-polymer 0.50 0.20 2E1 2E2 C18H19N2O10P1 non-polymer 1.00 0.29 2E2 2E3 C24H28O3 non-polymer 0.58 0.19 2E3 2E4 C6H9N1O7P2 non-polymer 0.00 0.00 2E4 2E5 C6H9N1O7P2 non-polymer 0.00 0.00 2E5 2E6 C6H9N1O7P2 non-polymer 0.00 0.00 2E6 2E7 C6Cl1H8N1O7P2 non-polymer 0.00 0.00 2E7 2E8 C24H28N6O1 non-polymer 0.00 0.00 2E8 2E9 C18Cl1H22N3O2S1 non-polymer 0.31 0.16 2E9 2EA C25H22N4O1 non-polymer 0.00 0.00 2EA 2EB C15Cl1H17I1N3O2S1 non-polymer 0.00 0.00 2EB 2EC C7H9N5 non-polymer 0.00 0.00 2EC 2ED C20H39N1O3 non-polymer 0.62 0.54 2ED 2EE C25Cl1H28N3O2S1 non-polymer 0.31 0.12 2EE 2EF C17Cl1H21I1N3O2S1 non-polymer 0.00 0.00 2EF 2EG C12H18N5O7P1 DNA linking 1.00 0.36 2EG 2EH C8H18O1 non-polymer 0.00 0.00 2EH 2EJ C17H19N3O1S1 non-polymer 0.00 0.00 2EJ 2EK C13Cl2H15N3O1S2 non-polymer 0.00 0.00 2EK 2EL C16H25N5O3S1 non-polymer 0.69 0.24 2EL 2EM C18H21N3O1S2 non-polymer 0.00 0.00 2EM 2EN C21Cl1H26N3O2S1 non-polymer 0.62 0.29 2EN 2EO C23H21N3O3 non-polymer 0.00 0.00 2EO 2EP C7H15N1 non-polymer 0.00 0.00 2EP 2EQ C23Cl1H24N3O5 non-polymer 0.50 0.16 2EQ 2ER C15H25N5O15P2 non-polymer 1.00 0.54 2ER 2ET C17H21N1O5 non-polymer 0.00 0.00 2ET 2EU C17F6H16N2O3S2 non-polymer 0.21 0.23 2EU 2EV C18Cl1H23N4O5S1 non-polymer 0.00 0.00 2EV 2EW C18H24N4O5S1 non-polymer 0.00 0.00 2EW 2EX C20F1H19N4O3 non-polymer 0.00 0.00 2EX 2EY C19Cl1H15N4O2 non-polymer 0.00 0.00 2EY 2EZ C5H8N2 non-polymer 0.00 0.00 2EZ 2F0 C19Cl1H21N4O3 non-polymer 0.38 0.15 2F0 2F1 Br1C19H21N2O1 non-polymer 0.38 0.17 2F1 2F2 C2H6O1 non-polymer 0.00 0.00 2F2 2F3 C25Cl1F1H17N3O3 non-polymer 0.00 0.00 2F3 2F4 C24F2H18N6O1 non-polymer 0.00 0.00 2F4 2F5 C22H19N5O3 non-polymer 0.00 0.00 2F5 2F6 C8H10N4 non-polymer 0.00 0.00 2F6 2F7 C21F1H29N3O11P1 non-polymer 0.83 0.76 2F7 2F8 C9H17N1O6 D-saccharide 1.00 0.94 2F8 2F9 C20F1H27N3O11P1 non-polymer 0.83 0.75 2F9 2FA C10F1H12N5O4 non-polymer 1.00 0.50 2FA 2FB C23H19N5O1S1 non-polymer 0.00 0.00 2FB 2FC C23H28N4O2 non-polymer 0.00 0.00 2FC 2FD C10F1H12N5O3 non-polymer 1.00 0.47 2FD 2FE C12F1H13N5O6P1 DNA linking 1.00 0.36 2FE 2FF C26H24N2O3 non-polymer 0.17 0.23 2FF 2FG C6F1H11O5 saccharide 1.00 0.92 2FG 2FH C40Fe1H36N4O4 non-polymer 0.38 0.08 2FH 2FI C10F1H12N4O7P1 DNA linking 1.00 0.39 2FI 2FJ C64H44N14Ru2 non-polymer 0.00 0.00 2FJ 2FK O2 non-polymer 0.00 0.00 2FK 2FL C12F1H21O10 saccharide 1.00 0.96 2FL 2FM C5F2H9N1O2S1 L-peptide linking 0.00 0.00 2FM 2FN C32Cl1H42N3O10S1 non-polymer 1.00 0.43 2FN 2FP C6H14O12P2 saccharide 1.00 0.60 2FP 2FQ C9H10N4O1 non-polymer 0.00 0.00 2FQ 2FR C24H25N5O1 non-polymer 0.00 0.00 2FR 2FS C26H28N2O4 non-polymer 0.00 0.00 2FS 2FT C5F2H6O4 non-polymer 0.93 0.36 2FT 2FU C4H4O2 non-polymer 0.50 1.00 2FU 2FX C10H8O2S1 non-polymer 0.00 0.00 2FX 2FY C9H10O3 non-polymer 0.58 0.33 2FY 2FZ C25F1H29N4O5 non-polymer 0.00 0.00 2FZ 2G0 C25H45N5O8 non-polymer 1.00 0.32 2G0 2G1 C13F3H13N2O2S2 non-polymer 0.00 0.00 2G1 2G2 C13H22N3O12P1 non-polymer 0.83 0.93 2G2 2G3 C6H15N1 non-polymer 0.38 0.29 2G3 2G4 C15H22N1O7P1 non-polymer 0.68 0.62 2G4 2G5 C15H19N2O10P1 non-polymer 0.84 0.71 2G5 2G6 C21H36N3O5P1 peptide-like 0.38 0.07 2G6 2G7 C19H32N3O5P1 non-polymer 0.00 0.00 2G7 2G8 C18H30N3O5P1 peptide-like 0.00 0.00 2G8 2G9 C20H34N3O5P1 peptide-like 0.00 0.00 2G9 2GA C8H10N4S3 non-polymer 0.00 0.00 2GA 2GB C18H20N1O7P1 non-polymer 0.68 0.59 2GB 2GC C23H32N3O5P1 peptide-like 0.00 0.00 2GC 2GD C11Cl2H10N4 non-polymer 0.00 0.00 2GD 2GE C13Cl2H12N4 non-polymer 0.00 0.00 2GE 2GF C9Cl1H11N3O7P1 DNA linking 1.00 0.43 2GF 2GG C19Cl1H17N2O5 non-polymer 0.50 0.19 2GG 2GH C14H29N2O7P1 non-polymer 0.62 0.42 2GH 2GJ C26H31N3O5 non-polymer 0.50 0.15 2GJ 2GK B1C11H9O4S1 non-polymer 0.44 0.35 2GK 2GL C8H14O5 D-saccharide 1.00 0.77 2GL 2GM C33H37N5O5 non-polymer 1.00 0.28 2GM 2GN C27Cl2H24N8O4S2 non-polymer 0.00 0.00 2GN 2GO C55H70N4O6Zn1 non-polymer 0.97 0.24 2GO 2GP C10H14N5O8P1 non-polymer 1.00 0.42 2GP 2GQ C13H14N2O1 non-polymer 0.00 0.00 2GQ 2GR C14H19N2O8P1 non-polymer 0.68 0.68 2GR 2GS C7H14O6 non-polymer 1.00 0.92 2GS 2GT C13H17N2O9P1 RNA linking 1.00 0.72 2GT 2GU C26F1H22N5O2 non-polymer 0.00 0.00 2GU 2GV C26H23N5O2 non-polymer 0.00 0.00 2GV 2GW C21H28N2O17P2 non-polymer 1.00 0.52 2GW 2GX C15H15N1O2 L-peptide linking 0.00 0.00 2GX 2GY C26H29N5O2 non-polymer 0.00 0.00 2GY 2GZ C20H34N3O5P1 peptide-like 0.38 0.07 2GZ 2H0 C20H34N3O5P1 peptide-like 0.00 0.00 2H0 2H1 C25H24N6O1 non-polymer 0.36 0.12 2H1 2H2 C19F3H17N2O3S1 non-polymer 0.00 0.07 2H2 2H3 C6H12O6 non-polymer 1.00 1.00 2H3 2H4 C16H17N1O4 non-polymer 0.00 0.00 2H4 2H5 C6F1H11O5 non-polymer 1.00 0.92 2H5 2H7 C24F1H22N5O3 non-polymer 0.00 0.00 2H7 2H8 C14H24N2O4 non-polymer 0.00 0.00 2H8 2H9 C15H19N2O10P1 non-polymer 0.84 0.71 2H9 2HA C3H6O3 non-polymer 1.00 1.00 2HA 2HB C21H23N5O3S1 non-polymer 0.00 0.00 2HB 2HC C9H8O3 non-polymer 0.44 0.50 2HC 2HD C19H41O4P1 non-polymer 0.98 0.50 2HD 2HE C2H7O4P1 non-polymer 0.00 0.00 2HE 2HF C6F1H9N3O2 L-peptide linking 0.00 0.00 2HF 2HG C5H8O5 non-polymer 0.98 1.00 2HG 2HH C10H10N4O1 non-polymer 0.00 0.00 2HH 2HI C15H12O5 non-polymer 0.00 0.00 2HI 2HJ C23H25N3O3S1 non-polymer 0.38 0.07 2HJ 2HK C30H31N3O3 non-polymer 0.00 0.00 2HK 2HL C26H25N5O2 non-polymer 0.00 0.00 2HL 2HM C8H15N1O4 peptide-like 0.50 0.77 2HM 2HN C14F5H11O6 non-polymer 0.00 0.00 2HN 2HO C7F2H5N1O1 non-polymer 0.00 0.00 2HO 2HP H2O4P1 non-polymer 0.00 0.00 2HP 2HQ C8Cl1H4N1O2 non-polymer 0.00 0.00 2HQ 2HR C16H27O3P1 non-polymer 0.50 0.30 2HR 2HS C16H27O3P1 non-polymer 0.50 0.30 2HS 2HT C8H7N1 non-polymer 0.00 0.00 2HT 2HU C8H6N2O2 non-polymer 0.00 0.00 2HU 2HV C17H20N4O2S1 non-polymer 0.00 0.00 2HV 2HW C15H19N7O1 non-polymer 0.00 0.00 2HW 2HX C23F3H22N5O2 non-polymer 0.00 0.00 2HX 2HY C22F3H18N3O4 non-polymer 0.98 0.19 2HY 2HZ C15H11N1O4 non-polymer 0.58 0.25 2HZ 2IA C10H13I1N5O6P1 DNA linking 1.00 0.39 2IA 2IB C7H7I1 non-polymer 0.00 0.00 2IB 2IC C26Cl2H20N4O4S1 non-polymer 0.00 0.00 2IC 2ID C13H18I1N5O8P2 non-polymer 1.00 0.34 2ID 2IG C22H25N5O1 non-polymer 0.56 0.18 2IG 2IH C12H18N4 non-polymer 0.00 0.00 2IH 2IK C22H27N5 non-polymer 0.00 0.00 2IK 2IL C26H50O4 non-polymer 0.62 0.40 2IL 2IM C5H10N2 non-polymer 0.00 0.00 2IM 2IN C20H25N5O5S1 non-polymer 0.00 0.00 2IN 2IP C6H14O12P2 non-polymer 1.00 0.60 2IP 2IT C5H7N1O4 non-polymer 0.93 1.00 2IT 2IW C26H21N3O3 non-polymer 0.00 0.00 2IW 2J0 C39H24N12Ru1 non-polymer 0.00 0.00 2J0 2J1 C13Cl1H12N1O2 non-polymer 0.00 0.00 2J1 2J2 C13Cl1H12N1O2 non-polymer 0.00 0.00 2J2 2J3 C9H20O4 non-polymer 0.83 1.00 2J3 2J4 C7H12N2O4S1 non-polymer 1.00 1.00 2J4 2J5 C13H14N2O1 non-polymer 0.00 0.00 2J5 2J6 C16F1H13N4O1 non-polymer 0.00 0.00 2J6 2J7 C18H18N4O2 non-polymer 0.00 0.00 2J7 2J8 C24H30N6O3Se3 non-polymer 0.00 0.00 2J8 2J9 C10F1H11N2O2S1 non-polymer 0.00 0.00 2J9 2JA C6H14O7P2 non-polymer 0.62 0.47 2JA 2JC C4H9N1O2 L-peptide linking 0.67 1.00 2JC 2JD C6H13O7P1 non-polymer 0.95 0.71 2JD 2JE C6H9N3O1S1 non-polymer 0.00 0.00 2JE 2JF C13H24N2O5 L-peptide linking 0.57 0.50 2JF 2JG C9H17N1O3 L-peptide linking 0.57 0.77 2JG 2JH C7H13N1O2 L-peptide linking 0.00 0.00 2JH 2JJ C5H12N1O5P1 D-peptide linking 0.00 0.00 2JJ 2JK C12H11N1O3 non-polymer 0.00 0.00 2JK 2JL C21H18N2O5 non-polymer 0.00 0.00 2JL 2JM Br4C10H5N1O1 non-polymer 0.00 0.00 2JM 2JN C7H15N1O2 D-peptide linking 0.93 0.80 2JN 2JQ C15F3H11N2O3 non-polymer 0.00 0.00 2JQ 2JR C21H25N3S1 non-polymer 0.00 0.00 2JR 2JT C21H42O4 non-polymer 0.98 0.40 2JT 2JU C21H22N3O9P1 DNA linking 1.00 0.56 2JU 2JV C26H25N6O7P1 DNA linking 1.00 0.22 2JV 2JW C17H18N3O10P1 non-polymer 1.00 0.29 2JW 2JX C10H9N3O2S1 non-polymer 0.00 0.00 2JX 2JY C12Cl2H8O4 non-polymer 0.00 0.00 2JY 2JZ C28F1H26N7O2 non-polymer 1.00 0.24 2JZ 2K0 C23Cl1H22N5O2 non-polymer 0.00 0.00 2K0 2K1 C6H6O3 non-polymer 0.00 0.00 2K1 2K2 C35H30N4O4 non-polymer 0.50 0.09 2K2 2K3 C7H12O3 non-polymer 0.00 0.00 2K3 2K4 C7H6N2O1 non-polymer 0.00 0.00 2K4 2K5 C22H25N7O3 non-polymer 0.00 0.00 2K5 2K6 C13H15N1O2 non-polymer 0.00 0.00 2K6 2K7 C22H25N7O3 non-polymer 0.00 0.00 2K7 2K8 C7H9N5O3 non-polymer 0.00 0.00 2K8 2K9 C19H11N3O1 non-polymer 0.00 0.00 2K9 2KA C7H6N4O3 non-polymer 0.00 0.00 2KA 2KB C31H49N1O4 non-polymer 0.55 0.31 2KB 2KC Br1C19H23N6O1 non-polymer 0.00 0.00 2KC 2KD C27Cl1H21N2O6 non-polymer 0.56 0.19 2KD 2KE C29H33N5O5S1 non-polymer 0.58 0.10 2KE 2KF C32H38N4O5S1 non-polymer 0.58 0.10 2KF 2KG C19H21N1O4S1 non-polymer 0.00 0.00 2KG 2KH C9H16N3O14P3 non-polymer 1.00 0.34 2KH 2KJ C8H18N4O3 non-polymer 0.50 1.00 2KJ 2KK C13F1H17N2O3 L-peptide linking 0.00 0.00 2KK 2KL C21Cl2H23N5O2S1 non-polymer 0.50 0.16 2KL 2KN C15H21N3O3 non-polymer 0.50 0.71 2KN 2KO C45H61N5O12 non-polymer 1.00 0.44 2KO 2KP Br1C13H17N2O3 L-peptide linking 0.00 0.00 2KP 2KQ C25H42N7O19P3S1 non-polymer 1.00 0.55 2KQ 2KR C19H17N5O1 non-polymer 0.00 0.00 2KR 2KS C22H27N1O1 non-polymer 0.62 0.12 2KS 2KT C4H6O3 non-polymer 0.75 1.00 2KT 2KU C9H13N5O1 non-polymer 0.56 0.33 2KU 2KV C18Cl1H25N2O1 non-polymer 0.00 0.00 2KV 2KW C17Cl1F3H11N5O3 non-polymer 0.00 0.00 2KW 2KX C20H25N1O4 non-polymer 0.00 0.00 2KX 2KY C7H13N1O2 L-peptide linking 0.00 0.00 2KY 2KZ C4H5N1O4 D-peptide linking 0.93 1.00 2KZ 2L0 C29H49N3O6 peptide-like 0.70 0.18 2L0 2L1 C14H17N3 non-polymer 0.00 0.00 2L1 2L2 C14H18N4 non-polymer 0.00 0.00 2L2 2L3 C11H10O5S1 non-polymer 0.00 0.00 2L3 2L4 C11H16N4O7 non-polymer 1.00 0.86 2L4 2L5 C9Cl1H10N1O2 L-peptide linking 0.00 0.00 2L5 2L6 C12H16N2O3 L-peptide linking 0.00 0.00 2L6 2L7 Br1C13H17N2O3 non-polymer 0.38 0.11 2L7 2L8 C23H30N7O12P1 DNA linking 1.00 0.60 2L8 2L9 C12H14N2O3 L-peptide linking 0.00 0.00 2L9 2LA C12H18N5O7P1 DNA linking 1.00 0.36 2LA 2LB C11H10O5S1 non-polymer 0.00 0.00 2LB 2LC C22F1H26N3O3 non-polymer 0.00 0.00 2LC 2LD C13H13N1O2 non-polymer 0.00 0.00 2LD 2LE C9H18O2 non-polymer 0.00 0.00 2LE 2LF C10H12N5O7P1 DNA linking 0.00 0.00 2LF 2LG C19Cl1H20N3O3S2 non-polymer 0.00 0.00 2LG 2LI C29F2H36N4O2 non-polymer 0.38 0.05 2LI 2LJ C12H20N4O6 non-polymer 1.00 0.86 2LJ 2LK C19Cl1H16N3O1 non-polymer 0.00 0.00 2LK 2LL C26H30N4O2 non-polymer 0.00 0.00 2LL 2LM C13H19N2O7P1S1 non-polymer 0.93 0.17 2LM 2LN C27H36N2O5 non-polymer 0.00 0.00 2LN 2LO C28Cl1H33N4O3 non-polymer 0.00 0.00 2LO 2LP C9H10O1 non-polymer 0.31 0.40 2LP 2LQ C18H24N2O3 non-polymer 0.00 0.00 2LQ 2LR C29H47N3O6 peptide-like 0.00 0.00 2LR 2LS C9H19N1O2 non-polymer 0.00 0.00 2LS 2LT C9Cl2H9N1O3 L-peptide linking 0.00 0.00 2LT 2LU C6H15N1 L-peptide linking 0.00 0.00 2LU 2LV C33H48N4O6 peptide-like 0.38 0.65 2LV 2LW C13Cl1H13N2O1 non-polymer 0.00 0.00 2LW 2LX C13H17N1O3 non-polymer 0.50 0.24 2LX 2LY C8H9N1O3S1 non-polymer 1.00 0.77 2LY 2M0 C8H19N1O2S1 non-polymer 0.00 0.00 2M0 2M1 C28H47N3O6S1 peptide-like 0.00 0.00 2M1 2M2 C20H21N7O1 non-polymer 0.00 0.00 2M2 2M3 C21H22N4O1 non-polymer 0.00 0.00 2M3 2M4 C12H22O11 saccharide 1.00 1.00 2M4 2M5 C8H16O6 D-saccharide 1.00 0.93 2M5 2M6 C25H44O21 non-polymer 1.00 1.00 2M6 2M7 C13H15N1O2 non-polymer 0.00 0.12 2M7 2M8 C9H16O9 non-polymer 1.00 1.00 2M8 2M9 C17H12O10S3 non-polymer 0.00 0.00 2M9 2MA C11H16N5O7P1 RNA linking 1.00 0.42 2MA 2MC C25H40N7O17P3S1 non-polymer 1.00 0.53 2MC 2MD C20H28N10O13P2S2 non-polymer 1.00 0.49 2MD 2ME C3H8O1 non-polymer 0.50 1.00 2ME 2MG C11H16N5O8P1 RNA linking 1.00 0.40 2MG 2MH C7H15N1 non-polymer 0.00 0.00 2MH 2MI C9H9N1 non-polymer 0.00 0.00 2MI 2MJ C7H17N1O2 non-polymer 0.00 0.00 2MJ 2MK C27H45N3O6 peptide-like 0.42 0.75 2MK 2ML C7H15N1O2 L-peptide linking 0.93 0.80 2ML 2MM C7H15N1O2S1 non-polymer 0.59 0.73 2MM 2MN C6H9N3O3 non-polymer 0.00 0.00 2MN 2MO H1O2 non-polymer 0.00 0.00 2MO 2MP C8H10O1 non-polymer 0.00 0.00 2MP 2MQ C12H15N7O1 non-polymer 0.00 0.00 2MQ 2MR C8H18N4O2 L-peptide linking 0.43 0.71 2MR 2MT C6H11N1O2S1 L-peptide linking 0.00 0.00 2MT 2MU C11H17N2O9P1 RNA linking 1.00 0.78 2MU 2MV C29H46O4 non-polymer 0.60 0.18 2MV 2MX C49H62N18O8 non-polymer 0.55 0.24 2MX 2MY C8H10O1 non-polymer 0.00 0.00 2MY 2MZ C4H6N2 non-polymer 0.00 0.00 2MZ 2N0 C17H19N1O1 non-polymer 0.00 0.00 2N0 2N2 C27H26N2O6S1 non-polymer 0.00 0.00 2N2 2N5 C20F1H21N2O5S1 non-polymer 0.58 0.28 2N5 2N6 C16H14N4S1 non-polymer 0.00 0.00 2N6 2N7 C36H45N5O5S1 non-polymer 0.42 0.13 2N7 2N8 C19Cl1H20N3O4S1 non-polymer 0.00 0.00 2N8 2N9 C12H12N2O2 non-polymer 0.75 0.31 2N9 2NA C11H10O1 non-polymer 0.00 0.00 2NA 2NB C9H7N3O2 non-polymer 0.00 0.00 2NB 2NC C35H68N11O8 peptide-like 0.00 0.00 2NC 2ND C10H12N4O4 non-polymer 1.00 0.50 2ND 2NE C28H40N7O18P3S1 non-polymer 1.00 0.40 2NE 2NF C21F1H26N7O13P2 non-polymer 1.00 0.50 2NF 2NG C25H19N3O10S2 non-polymer 0.00 0.00 2NG 2NH C36H62N4O6S2 non-polymer 0.50 0.58 2NH 2NI C17H17N3O3 non-polymer 0.50 0.22 2NI 2NJ C16H16N2O1 non-polymer 0.00 0.00 2NJ 2NK C22F2H21N3O1 non-polymer 0.00 0.00 2NK 2NL C14Cl1H14N3O2 non-polymer 0.64 0.30 2NL 2NM C11F3H9N2O1 non-polymer 0.00 0.00 2NM 2NO N1O2 non-polymer 0.00 0.00 2NO 2NP C8H13N1O4 non-polymer 0.93 0.54 2NP 2NQ C24Cl1F1H20N4O3S1 non-polymer 0.00 0.00 2NQ 2NR C23F1H21N2O5 non-polymer 0.00 0.00 2NR 2NS C23H20N4O4 non-polymer 0.00 0.00 2NS 2NT C13H22N3O11P1 RNA linking 1.00 0.64 2NT 2NV C13H29N1O5 non-polymer 0.88 1.00 2NV 2NW Br1C9H7N2 non-polymer 0.00 0.00 2NW 2NX C9H12N1O4P1 non-polymer 0.78 0.53 2NX 2NY C12H16N4 non-polymer 0.00 0.00 2NY 2NZ C10H10N2O1 non-polymer 0.00 0.00 2NZ 2O0 C10H11N3O1 non-polymer 0.00 0.00 2O0 2O1 C12H10N2O1 non-polymer 0.00 0.00 2O1 2O2 C18H20N2O11P2 non-polymer 0.25 0.06 2O2 2O3 C22H26N4O2 non-polymer 0.00 0.00 2O3 2O4 C23H28N4O3 non-polymer 0.00 0.00 2O4 2O5 C20Cl1H17N4O2 non-polymer 0.00 0.00 2O5 2O6 C8F3H5N2O1 non-polymer 0.00 0.00 2O6 2O7 C22Cl2H15N3O1 non-polymer 0.00 0.00 2O7 2O8 C8F3H6N1O1S1 non-polymer 0.00 0.00 2O8 2OA C10H16N5O12P3 non-polymer 1.00 0.30 2OA 2OB C45H78O2 non-polymer 0.42 0.13 2OB 2OD C19H27N3O2 non-polymer 0.00 0.00 2OD 2OE C18H15N1O2 non-polymer 0.00 0.00 2OE 2OF Fe1H4O2 non-polymer 0.00 0.00 2OF 2OG C5H6O5 non-polymer 0.96 1.00 2OG 2OH C15H16O2 non-polymer 0.38 0.12 2OH 2OJ C40Cl1H50N3O14S1 non-polymer 1.00 0.39 2OJ 2OK C21H21N1O3 non-polymer 0.00 0.00 2OK 2OL C22H26N6O2 non-polymer 0.50 0.17 2OL 2OM C10H15N2O11P1 RNA linking 1.00 0.83 2OM 2ON C5H4N4O1S1 non-polymer 0.00 0.00 2ON 2OO C17H19N7O1 non-polymer 0.56 0.20 2OO 2OP C3H6O3 non-polymer 1.00 1.00 2OP 2OQ C19H20N6O1 non-polymer 0.00 0.08 2OQ 2OR C6H15N4O4 L-peptide linking 0.83 0.86 2OR 2OS C20H36O12 non-polymer 1.00 0.72 2OS 2OT C14H24N3O10P1 RNA linking 1.00 0.86 2OT 2OU C15H25O22P5 non-polymer 1.00 0.29 2OU 2OV C20H28O18P4 non-polymer 1.00 0.29 2OV 2OW C20F1H24N5O3 non-polymer 0.00 0.00 2OW 2OX C13H16N4O2 non-polymer 0.00 0.00 2OX 2OY C14Cl1H23N2O3S1 peptide-like 0.00 0.00 2OY 2OZ C13F1H17N2O4S1 non-polymer 1.00 0.52 2OZ 2P0 C7H13N1O10P2 L-peptide linking 0.00 0.00 2P0 2P1 C21F3H15N4O3S1 non-polymer 0.00 0.00 2P1 2P2 C25H38N2O4 non-polymer 0.38 0.06 2P2 2P3 C10H9N3O2S1 non-polymer 0.00 0.00 2P3 2P4 C20H26N2O4 non-polymer 0.00 0.00 2P4 2P5 C34H35N7O3 non-polymer 0.38 0.05 2P5 2P6 C20H25N3O2 non-polymer 0.00 0.00 2P6 2P7 C16F3H12I1N2O2 non-polymer 0.00 0.00 2P7 2P8 C19H27N3O4 non-polymer 0.00 0.00 2P8 2P9 C29Cl3H18N3O5S1 non-polymer 0.00 0.00 2P9 2PA H5N2O2P1 non-polymer 0.00 0.00 2PA 2PB C7H5O5P1 non-polymer 0.00 0.00 2PB 2PC C5H7N1O2 non-polymer 0.00 0.00 2PC 2PD C23H24N4O5S1 non-polymer 0.00 0.00 2PD 2PE C18H38O10 non-polymer 0.88 1.00 2PE 2PF C36F5H38N9O16P2 non-polymer 1.00 0.32 2PF 2PG C3H7O7P1 non-polymer 0.91 0.64 2PG 2PH C7H11N5O8P2 non-polymer 0.00 0.00 2PH 2PI C5H11N1O2 L-peptide linking 0.00 0.00 2PI 2PJ C23F2H24N2O2 non-polymer 0.56 0.17 2PJ 2PK C10H10N2O2S1 non-polymer 0.00 0.00 2PK 2PL C2H5O6P1 non-polymer 0.00 0.00 2PL 2PM C17H21N1O1 non-polymer 0.50 0.26 2PM 2PN H5N1O6P2 non-polymer 0.00 0.00 2PN 2PO H1O3P1 non-polymer 0.00 0.00 2PO 2PP C8H16O2 non-polymer 0.00 0.00 2PP 2PQ C38H41N1O5 non-polymer 0.81 0.16 2PQ 2PR C10H14N5O6P1 DNA linking 1.00 0.41 2PR 2PS C17H21N1O3S1 peptide-like 0.00 0.00 2PS 2PT C20H29N6Pt1S1 non-polymer 0.38 0.18 2PT 2PU C19H22N6O2 non-polymer 0.00 0.00 2PU 2PV C10H11N3O1S1 non-polymer 0.00 0.00 2PV 2PW C14H17N1O2S2 non-polymer 0.00 0.00 2PW 2PX C26H31N5O1 non-polymer 0.00 0.00 2PX 2PY C23H21N5O1 non-polymer 0.00 0.00 2PY 2PZ C16H22N4O1 non-polymer 0.00 0.00 2PZ 2Q0 C14H17N1O2S2 non-polymer 0.00 0.00 2Q0 2Q2 C6H12O7 non-polymer 0.99 1.00 2Q2 2Q4 C23Cl1H35N2O4 non-polymer 0.55 0.20 2Q4 2Q5 C12H26O5 non-polymer 0.83 1.00 2Q5 2Q6 C44H55N5O5 non-polymer 0.00 0.00 2Q6 2Q8 C21H25N3O2 non-polymer 0.00 0.00 2Q8 2Q9 C26H34N4O2 non-polymer 0.36 0.12 2Q9 2QA C25H30N2O2 non-polymer 0.00 0.00 2QA 2QB C6H8N6 non-polymer 0.00 0.00 2QB 2QC C9H9N3S1 non-polymer 0.00 0.00 2QC 2QD C9H16N2O5 L-peptide linking 0.60 0.75 2QD 2QE C9H15N1O6 non-polymer 0.69 1.00 2QE 2QF C22F2H16N2O3S1 non-polymer 0.00 0.00 2QF 2QG C19Cl1H22N5O1 non-polymer 0.00 0.00 2QG 2QH C25F3H22N5O1 non-polymer 0.00 0.00 2QH 2QJ Br1C16Cl1F3H12N1O4S1 non-polymer 0.44 0.26 2QJ 2QK C29Cl1H31N4O2 non-polymer 0.00 0.00 2QK 2QL C24H18O3 non-polymer 0.00 0.00 2QL 2QM C22H24I1N3O7 non-polymer 0.45 0.52 2QM 2QN C22H25I1N4O6 non-polymer 0.50 0.48 2QN 2QO C18H16O3 non-polymer 0.58 0.43 2QO 2QP C21H24I1N3O7 non-polymer 0.50 0.50 2QP 2QQ C19H22I1N3O6 non-polymer 0.50 0.55 2QQ 2QR C22H33N4O20P3 non-polymer 1.00 0.41 2QR 2QS C19H24I1N3O7 non-polymer 0.53 0.53 2QS 2QT C20F1H20N5O1 non-polymer 0.00 0.00 2QT 2QU C12F1H8N5 non-polymer 0.00 0.00 2QU 2QV C14Cl1H10N3 non-polymer 0.00 0.00 2QV 2QW C20H31N3O2Se1 non-polymer 0.00 0.00 2QW 2QX C44F1H54N5O4 non-polymer 0.00 0.00 2QX 2QY C10H11N1O3 peptide linking 0.93 0.29 2QY 2QZ C6H13N1O3 L-peptide linking 0.73 0.90 2QZ 2R1 C6H9N1O4 peptide linking 0.93 1.00 2R1 2R2 C17F3H19N4O4S1 non-polymer 0.50 0.17 2R2 2R3 C10H13N1O4 L-peptide linking 0.00 0.00 2R3 2R4 C25H19N1O3S1 non-polymer 0.00 0.00 2R4 2R5 C27H32N6O3S1 non-polymer 0.39 0.14 2R5 2R6 C24H30N2O2 non-polymer 0.00 0.00 2R6 2R7 C18H22I1N3O6 non-polymer 0.00 0.00 2R7 2R8 C35H47N5O9S1 non-polymer 0.56 0.18 2R8 2R9 C35Cl1H46N5O9S1 non-polymer 0.56 0.18 2R9 2RA C3H8N2O2 D-peptide linking 0.00 0.00 2RA 2RB Br2C15H12N2O4 non-polymer 0.25 0.22 2RB 2RC C23F1H26N6O9P1 non-polymer 1.00 0.20 2RC 2RD C15H27N3O2S1 non-polymer 0.00 0.00 2RD 2RE C20F1H14N3O1 non-polymer 0.00 0.00 2RE 2RF C16Cl2H10N2O3 non-polymer 1.00 0.48 2RF 2RG C22H27N3O7S1 non-polymer 0.50 0.27 2RG 2RH C6H12O3 non-polymer 0.00 0.00 2RH 2RJ C26F1H26N5O1 non-polymer 0.00 0.00 2RJ 2RK C22H23N5O1 non-polymer 0.00 0.00 2RK 2RL C26Cl1H22N3O5 non-polymer 0.00 0.00 2RL 2RM C22F2H16N2O3S1 non-polymer 0.00 0.00 2RM 2RN C20H15N3O1 non-polymer 0.00 0.00 2RN 2RO C17H20N2O4 non-polymer 1.00 0.74 2RO 2RQ C25F1H24N5O2 non-polymer 0.00 0.00 2RQ 2RR C20H17N7O2 non-polymer 0.00 0.00 2RR 2RS C26H31N7O2 non-polymer 1.00 0.26 2RS 2RT C19H18N6 non-polymer 0.00 0.00 2RT 2RU C17F3H22N3O2 non-polymer 0.00 0.00 2RU 2RV C16F3H20N3O3 non-polymer 0.00 0.00 2RV 2RW C15H23N5O12P2 non-polymer 1.00 0.44 2RW 2RX C3H8N1O5P1S1 L-peptide linking 0.83 0.64 2RX 2RY C22F3H19N4O1S1 non-polymer 0.00 0.00 2RY 2RZ C29H34N4O6 non-polymer 0.00 0.00 2RZ 2S0 C30H37N1O4 non-polymer 0.20 0.09 2S0 2S1 Br1C44Cl2H40N3O8 non-polymer 0.00 0.00 2S1 2S2 C14H17N1O2 non-polymer 0.00 0.00 2S2 2S3 C13H15N1O2 non-polymer 0.00 0.00 2S3 2S4 C19H23N3O3 non-polymer 0.00 0.00 2S4 2S6 C27H34N2O2 non-polymer 0.00 0.00 2S6 2S7 C26H33N3O2 non-polymer 0.00 0.00 2S7 2S8 C21H30N2O4 non-polymer 0.56 0.19 2S8 2S9 C27F1H33N2O2 non-polymer 0.00 0.00 2S9 2SA C14H18N5O11P1 RNA linking 1.00 0.61 2SA 2SB Br1C15H14N3O2 non-polymer 0.00 0.00 2SB 2SC C19H17N5O1 non-polymer 0.00 0.00 2SC 2SD C12H23N1O12S1 non-polymer 1.00 0.85 2SD 2SE C25H35N3O4S1 non-polymer 0.00 0.00 2SE 2SF C27H35N3O1 non-polymer 0.00 0.00 2SF 2SG C10H16N5O6P1S2 RNA linking 1.00 0.42 2SG 2SH C21Cl1F1H25N5O3 non-polymer 0.00 0.00 2SH 2SI C6H10O10S1 L-peptide linking 1.00 0.76 2SI 2SJ C21H23N1O6 non-polymer 0.00 0.00 2SJ 2SK C13H19N1O3S1 non-polymer 1.00 0.50 2SK 2SM C14H14N4O5S1 non-polymer 0.97 0.17 2SM 2SN C19H22N4 non-polymer 0.20 0.13 2SN 2SO C24H38N3O4 L-peptide linking 0.00 0.00 2SO 2SP C39H77O8P1 non-polymer 0.98 0.29 2SP 2SQ C26F1H28N1O5 non-polymer 0.56 0.36 2SQ 2SR C23H26O5 non-polymer 0.00 0.00 2SR 2SS C29H34N2O7 non-polymer 0.36 0.11 2SS 2ST C11H17N2O8P1Se1 DNA linking 1.00 0.74 2ST 2SU C12F1H13N2O2 non-polymer 0.93 0.24 2SU 2SW C28Cl2H35N1O5S1 non-polymer 0.38 0.05 2SW 2SX Br1C10H8N1O2 non-polymer 0.00 0.00 2SX 2SY C17Cl1H14N1O2 non-polymer 0.00 0.00 2SY 2SZ C32H29N7O2 non-polymer 0.00 0.05 2SZ 2T0 C11H11N2O4P1S1 non-polymer 0.00 0.00 2T0 2T1 C20F3H19N2O3 non-polymer 0.00 0.00 2T1 2T2 C19H15N1O2 non-polymer 0.00 0.00 2T2 2T3 C10H11N1O5 non-polymer 0.88 0.62 2T3 2T4 C11H11N2O4P1S1 non-polymer 0.00 0.00 2T4 2T5 C11H10N1O4P1S1 non-polymer 0.00 0.00 2T5 2T6 C12H11N2O5P1S1 non-polymer 0.00 0.00 2T6 2T7 C18H16N2O5 non-polymer 0.00 0.00 2T7 2T8 C1Cl4Ir1O2 non-polymer 0.00 0.00 2T8 2T9 C24H22N4O5 non-polymer 0.00 0.00 2T9 2TA C27H36N6O3S1 non-polymer 0.39 0.14 2TA 2TB C6H16N2O3 non-polymer 1.00 1.00 2TB 2TC C22Cl1H21N2O7 non-polymer 0.20 0.09 2TC 2TD C13H24O1 non-polymer 0.44 0.29 2TD 2TE C24F3H25N4O3S1 non-polymer 0.38 0.11 2TE 2TF C21F3H23N4O4S1 non-polymer 0.42 0.30 2TF 2TG C19F3H20N5O3S2 non-polymer 0.38 0.06 2TG 2TH C16Cl1H13N2O2S1 non-polymer 0.00 0.00 2TH 2TJ C19H23N5O4S2 non-polymer 0.38 0.07 2TJ 2TK Br1C18H21O2 non-polymer 0.00 0.00 2TK 2TL C4H9N1O3 D-peptide linking 0.72 1.00 2TL 2TM C10H18N3O13P3 non-polymer 1.00 0.34 2TM 2TN C14H22N2O3 non-polymer 0.58 0.47 2TN 2TO C22F6H20N6O3S1 non-polymer 0.21 0.18 2TO 2TP C12H19N4O8P2S1 non-polymer 0.00 0.00 2TP 2TQ C7H9N1O3 non-polymer 0.00 0.00 2TQ 2TS C26Cl1H36N7O4S1 peptide-like 0.00 0.00 2TS 2TT C16Cl1H14N3O2 non-polymer 0.00 0.00 2TT 2TU C9H12N2O5S1 non-polymer 1.00 0.59 2TU 2TV C11H12N2O6S1 non-polymer 0.67 0.65 2TV 2TW C27Cl2H31N1O6S1 non-polymer 0.38 0.05 2TW 2TX C30H50O1 non-polymer 0.38 0.77 2TX 2TY C17H18N2O4 L-peptide linking 0.00 0.00 2TY 2TZ C26Cl2H31N1O6S1 non-polymer 0.38 0.06 2TZ 2U0 C33Cl2F1H37N2O5S2 non-polymer 0.38 0.04 2U0 2U1 C33Cl2H36N2O6S1 non-polymer 0.38 0.05 2U1 2U2 C19H20N6O11S1 non-polymer 1.00 0.89 2U2 2U3 C16H22N6O10S2 non-polymer 1.00 0.74 2U3 2U4 C25H24N6O14S1 non-polymer 0.93 0.67 2U4 2U5 C34Cl2H38N2O5S1 non-polymer 0.38 0.05 2U5 2U6 C33Cl2H36N2O6S1 non-polymer 0.38 0.05 2U6 2U7 C26Cl2H31N1O6S1 non-polymer 0.38 0.06 2U7 2U8 C19H23N1O3 non-polymer 0.00 0.09 2U8 2U9 C16H18N2O4S2 non-polymer 0.00 0.00 2U9 2UA C12H20N2O2 peptide-like 0.00 0.00 2UA 2UB C9Cl1H7O2S1 non-polymer 0.93 0.31 2UB 2UC C10H13N3O1 non-polymer 0.00 0.00 2UC 2UD Br1C11H8N1O2S1 non-polymer 0.93 0.25 2UD 2UE C10H13N3O1 non-polymer 0.00 0.00 2UE 2UF C6H12O7 non-polymer 0.99 1.00 2UF 2UG C17H17N7 non-polymer 0.00 0.00 2UG 2UH C16H26N6O12P2 non-polymer 1.00 0.28 2UH 2UJ C16H27N6O15P3 non-polymer 1.00 0.25 2UJ 2UK C16H28N7O14P3 non-polymer 1.00 0.25 2UK 2UL B1C17H19N2O5 non-polymer 0.00 0.00 2UL 2UN C19H21N1O7S1 non-polymer 0.90 0.46 2UN 2UO C23H34O5 non-polymer 0.65 0.25 2UO 2UP C11H10N2 non-polymer 0.00 0.00 2UP 2UQ C13H12N4O1 non-polymer 0.00 0.00 2UQ 2UR C10F1H10N1O2 non-polymer 0.00 0.00 2UR 2US C16H11N1O5 non-polymer 0.21 0.41 2US 2UT C22H22N2O5 non-polymer 0.25 0.31 2UT 2UU C30H23N1O5S1 non-polymer 0.00 0.00 2UU 2UV C16H16O3 non-polymer 0.00 0.00 2UV 2UW C17Cl1F3H13N3O3S2 non-polymer 0.33 0.24 2UW 2UX C20F3H17N2O3S1 non-polymer 0.33 0.24 2UX 2UY C24F3H20N5O3S1 non-polymer 0.33 0.19 2UY 2UZ C7H10N2O4S1 non-polymer 0.00 0.00 2UZ 2V0 C8H12N2O4S1 non-polymer 0.00 0.00 2V0 2V1 C31H28N6O5S1 non-polymer 0.00 0.00 2V1 2V2 C27H29N5O3 non-polymer 0.38 0.06 2V2 2V3 C36F1H37N6O3 non-polymer 0.00 0.00 2V3 2V4 C19H14O6 non-polymer 0.00 0.00 2V4 2V5 C29H41N7O5S1 non-polymer 0.44 0.14 2V5 2V6 C14F8H7N5 non-polymer 0.00 0.00 2V6 2V7 C14H16O3 non-polymer 0.62 0.47 2V7 2V8 C24Cl2H18N2O2 non-polymer 0.00 0.00 2V8 2V9 C26H19N3O4 non-polymer 0.00 0.00 2V9 2VA C15H23N7O4 L-peptide linking 1.00 0.38 2VA 2VC C27H39N9O5S1 non-polymer 0.44 0.14 2VC 2VD Br1C24H23N2O5 non-polymer 0.00 0.00 2VD 2VE Br1C17H17N2O5 non-polymer 0.00 0.00 2VE 2VF C15Cl1H15N2O3 non-polymer 0.00 0.00 2VF 2VG C13Cl1H12N1O2 non-polymer 0.00 0.00 2VG 2VH C17F3H19N4O3S1 non-polymer 0.00 0.00 2VH 2VJ C24Cl2H25N5O3S1 non-polymer 0.00 0.00 2VJ 2VK C27H34N2O2 non-polymer 0.00 0.00 2VK 2VL C33H36N6O3S1 non-polymer 0.00 0.00 2VL 2VM Br1C24H23N2O5 non-polymer 0.00 0.00 2VM 2VN C29H46N2O3S1 non-polymer 0.93 0.11 2VN 2VO C33H40N4O6 non-polymer 0.38 0.05 2VO 2VP C21H24O2 non-polymer 0.50 0.39 2VP 2VQ C6H11N5O4S1 non-polymer 0.00 0.00 2VQ 2VR C21H24O2 non-polymer 0.50 0.39 2VR 2VS C6H6O4 non-polymer 0.62 1.00 2VS 2VT C19H14N6O1 non-polymer 0.00 0.00 2VT 2VU C22H16N8O1 non-polymer 0.00 0.00 2VU 2VV C25H26N8O1 non-polymer 0.20 0.09 2VV 2VW C25H26N8O1 non-polymer 0.20 0.09 2VW 2VX C19F2H20N4O3S1 non-polymer 0.00 0.00 2VX 2VY C12H13N3O1S1 non-polymer 0.00 0.00 2VY 2VZ C21H24O2 non-polymer 0.50 0.39 2VZ 2W0 C21H24O2 non-polymer 0.50 0.39 2W0 2W1 C24H21N3O3 non-polymer 0.00 0.00 2W1 2W2 C11H20N4O6 non-polymer 0.68 0.90 2W2 2W3 C25Cl2H26N6O4 non-polymer 1.00 0.38 2W3 2W4 C25H24N4O3 non-polymer 0.00 0.00 2W4 2W5 C20Cl2H23N3O3 non-polymer 0.00 0.00 2W5 2W6 C24H32N6O1 non-polymer 0.20 0.10 2W6 2W7 C19H24N2O2S1 non-polymer 0.00 0.00 2W7 2W8 C15H13N1O4 non-polymer 0.00 0.00 2W8 2W9 C13H11N1O5 non-polymer 0.00 0.00 2W9 2WA C35H70O5 non-polymer 1.00 0.50 2WA 2WB C18H13N1O5 non-polymer 0.00 0.00 2WB 2WC C20H23N5O3 non-polymer 0.00 0.00 2WC 2WD C14H30O5 non-polymer 1.00 0.74 2WD 2WE C13H12N4O3S1 non-polymer 0.00 0.00 2WE 2WF C18H15N3O1 non-polymer 0.00 0.00 2WF 2WG C15H15N5O3 non-polymer 0.00 0.00 2WG 2WH C22H24N6O2S1 non-polymer 0.00 0.00 2WH 2WJ C14H11N3O1S1 non-polymer 0.00 0.00 2WJ 2WK C16H15N3O3S1 non-polymer 0.00 0.00 2WK 2WL C21Cl1H21N4O1 non-polymer 0.00 0.00 2WL 2WM C39H78O5 non-polymer 1.00 0.45 2WM 2WN C14Cl2F1H7N2O5S1 non-polymer 0.00 0.00 2WN 2WP C9H17N1O6S1 non-polymer 1.00 0.53 2WP 2WQ C12F1H10N1O4 non-polymer 0.29 0.28 2WQ 2WR C9F1H8N1O4 non-polymer 0.00 0.00 2WR 2WS C15H26O13 non-polymer 1.00 1.00 2WS 2WT C28H24I1N3O7 non-polymer 0.00 0.00 2WT 2WU C10H10N6O1 non-polymer 0.00 0.00 2WU 2WW C5H14N1O3P1 non-polymer 0.00 0.00 2WW 2WX C24Cl1H20N1O4S2 non-polymer 0.00 0.00 2WX 2WY C24H21N1O5S1 non-polymer 0.00 0.00 2WY 2WZ C25Cl1F1H24N4O3S2 non-polymer 0.46 0.19 2WZ 2X0 C9H14N1O3P1 non-polymer 0.00 0.00 2X0 2X1 C15H17N5O1 non-polymer 0.00 0.00 2X1 2X3 C10H16N5O14P3 non-polymer 1.00 0.38 2X3 2X4 C19Cl1H18N3O3 non-polymer 0.00 0.00 2X4 2X5 C19Cl1H18N3O3 non-polymer 0.00 0.00 2X5 2X6 C21H23N7O1 non-polymer 0.00 0.00 2X6 2X7 C6H5N1O2 non-polymer 0.00 0.00 2X7 2X9 C17F3H13N2O2S1 non-polymer 0.00 0.00 2X9 2XA C22Cl1H20N1O2S1 L-peptide linking 0.00 0.00 2XA 2XB C19H19N5O6 non-polymer 0.68 0.40 2XB 2XC C20H21N1O2 non-polymer 0.38 0.13 2XC 2XD C15H15N3O2 non-polymer 0.38 0.15 2XD 2XE Br1C6H5S1 non-polymer 0.00 0.00 2XE 2XF C21Cl2H29N3O3 non-polymer 0.56 0.17 2XF 2XG C6F2H4S1 non-polymer 0.00 0.00 2XG 2XH C10H8S1 non-polymer 0.00 0.00 2XH 2XJ C22H29N5O3S2 non-polymer 1.00 0.44 2XJ 2XK C17H14N2O5 non-polymer 0.00 0.00 2XK 2XL C18H21N5O2S2 non-polymer 1.00 0.30 2XL 2XM C21H27N5O4S2 non-polymer 1.00 0.25 2XM 2XN C20H26N6O4S3 non-polymer 1.00 0.42 2XN 2XO C8H8N2S1 non-polymer 0.00 0.00 2XO 2XP C6H7N1O3 non-polymer 0.93 0.90 2XP 2XQ C25F3H23N2O3 non-polymer 0.00 0.00 2XQ 2XR C10Cl1H8N1O1 non-polymer 0.00 0.00 2XR 2XS C25H19N3O3 non-polymer 0.00 0.00 2XS 2XT C27H40N4O11 non-polymer 1.00 0.69 2XT 2XU C28H40N4O13 non-polymer 1.00 0.64 2XU 2XV C20H31N1O11 non-polymer 1.00 0.91 2XV 2XW C22H34N8O11 non-polymer 1.00 0.71 2XW 2XX C7H10O3 non-polymer 0.00 0.00 2XX 2XY C11F3H12N3O3 non-polymer 0.00 0.00 2XY 2XZ C20H25N5O3S2 non-polymer 1.00 0.27 2XZ 2Y0 C20H26N6O3S3 non-polymer 1.00 0.44 2Y0 2Y1 C21F1H26N5O2S2 non-polymer 1.00 0.26 2Y1 2Y2 C33H48N6O5S1 peptide-like 0.00 0.00 2Y2 2Y3 C37H58N6O6 peptide-like 0.56 0.10 2Y3 2Y4 C32F2H49N5O6 peptide-like 0.36 0.11 2Y4 2Y5 C47H84O16P2 non-polymer 1.00 0.62 2Y5 2Y6 C26Cl1H25N2O3S2 non-polymer 0.46 0.21 2Y6 2Y7 C19F1H22N5O2S2 non-polymer 1.00 0.28 2Y7 2Y8 C19F1H22N5O2S2 non-polymer 1.00 0.28 2Y8 2Y9 C26H42N4O4 non-polymer 1.00 0.56 2Y9 2YA C19Cl1H15N4O2 non-polymer 0.00 0.00 2YA 2YB C29H32O7S1 non-polymer 0.00 0.00 2YB 2YC C12H21N3O3 L-peptide linking 0.00 0.00 2YC 2YD C29H44O6 non-polymer 0.00 0.00 2YD 2YF C12H21N3O3 L-peptide linking 0.00 0.00 2YF 2YG C12H26N4O3 L-peptide linking 0.00 0.00 2YG 2YH C10H22N4O3 L-peptide linking 0.00 0.00 2YH 2YJ C11H24N4O3 L-peptide linking 0.00 0.00 2YJ 2YK C17H16N6O2S1 non-polymer 0.00 0.00 2YK 2YL C9H8N4O1 non-polymer 0.00 0.00 2YL 2YM C16H21N7O1 non-polymer 0.00 0.00 2YM 2YN C6H20O30P8 non-polymer 1.00 0.27 2YN 2YO C16H20N6O1 non-polymer 0.00 0.00 2YO 2YP C19H30N2O12 non-polymer 1.00 1.00 2YP 2YQ C19F2H14N6O1 non-polymer 0.00 0.00 2YQ 2YR C11H18N3O7P1S1 non-polymer 1.00 0.39 2YR 2YS C18Cl1H37N4O3 peptide-like 0.00 0.00 2YS 2YT C25Cl1H35N6O3 peptide-like 0.00 0.00 2YT 2YU C6H7N1O1S1 non-polymer 0.00 0.00 2YU 2YV C17H16N6O1 non-polymer 0.00 0.00 2YV 2YW C19H18N6O3 non-polymer 0.97 0.14 2YW 2YX C18H15N7O1 non-polymer 0.00 0.00 2YX 2YY C18H16N6O3 non-polymer 0.00 0.00 2YY 2YZ C16F1H14N1O4 non-polymer 0.00 0.00 2YZ 2Z0 C26Cl1H37N7O7S1 peptide-like 0.20 0.07 2Z0 2Z3 C32F2H49N5O7 peptide-like 0.36 0.11 2Z3 2Z4 C46H59N5O9 peptide-like 0.38 0.03 2Z4 2Z5 C18F6H23N4O3 peptide-like 0.00 0.00 2Z5 2ZC C11H16N2O5S1 L-peptide linking 0.83 0.37 2ZC 2ZE C20H34O4 non-polymer 0.00 0.00 2ZE 2ZF C21F2H33N3O9 peptide-like 0.56 0.83 2ZF 2ZI C16F3H11N2O1 non-polymer 0.00 0.00 2ZI 2ZL C17F1H19N2O4S1 non-polymer 0.38 0.24 2ZL 2ZM C7H5N3O2 non-polymer 0.00 0.00 2ZM 2ZO C7H16N1O1 non-polymer 0.20 0.33 2ZO 2ZQ C9H6N2O2 non-polymer 0.00 0.00 2ZQ 2ZS C31H48N4O7S1 peptide-like 0.67 0.21 2ZS 2ZT C19H14N2O1 non-polymer 0.00 0.00 2ZT 2ZU C18H14N2O1S1 non-polymer 0.00 0.00 2ZU 2ZV C6H7N3O2 non-polymer 0.00 0.00 2ZV 2ZW C20Cl1H19N2O2 non-polymer 0.00 0.00 2ZW 2ZX C4Cl1H5N4 non-polymer 0.00 0.00 2ZX 2ZY C13F5H9N2O2 non-polymer 0.00 0.00 2ZY 2ZZ Br1C12H11N2O1 non-polymer 0.00 0.00 2ZZ 300 C8H9O6P1 non-polymer 0.00 0.00 300 301 C10H11N5 non-polymer 0.50 0.33 301 302 C15H14N4O6 non-polymer 0.64 0.24 302 303 C24H26N4O1 non-polymer 0.00 0.00 303 304 C17H22N4O2S1 non-polymer 0.50 0.17 304 306 C26H25N5O1 non-polymer 0.00 0.00 306 307 C32F3H32N3O2 non-polymer 0.30 0.15 307 308 C10H17N1 non-polymer 0.00 0.00 308 30A C14Cl1H10N3O3 non-polymer 0.00 0.00 30A 30B C38H47N5O7S2 non-polymer 0.00 0.00 30B 30E C21H28N4O5 non-polymer 0.00 0.00 30E 30F C3H5N1O2Se1 peptide linking 0.93 0.57 30F 30G C10H9N3O2 non-polymer 0.00 0.00 30G 30H C16F1H18N3O4S1 non-polymer 0.38 0.24 30H 30I C17H23N9O2 non-polymer 1.00 0.50 30I 30J C26Cl1H23N6 non-polymer 0.00 0.00 30J 30K C30H31N5O2 non-polymer 0.00 0.00 30K 30L C16F1H13N2O6 non-polymer 0.00 0.00 30L 30M C17H21N3O2 non-polymer 0.00 0.00 30M 30N C21H36N7O18P3S1 non-polymer 1.00 0.46 30N 30O C17F1H18N3O6S1 non-polymer 0.38 0.21 30O 30P C17F1H20N3O4S1 non-polymer 0.38 0.23 30P 30Q C27H39N1O3S1 non-polymer 0.00 0.00 30Q 30R C18F1H22N3O4S1 non-polymer 0.38 0.22 30R 30S C15H14N4O4S1 non-polymer 0.00 0.00 30S 30T C26H27N5O3S1 non-polymer 1.00 0.23 30T 30U C15H14N4O4S1 non-polymer 0.00 0.00 30U 30V C10H12N2O3S1Se1 L-peptide linking 0.00 0.00 30V 30W C9H7N5O3 non-polymer 0.00 0.00 30W 30X C15F6H15N3O1 non-polymer 0.45 0.40 30X 30Z C18H22O4 non-polymer 0.00 0.00 30Z 310 C27Cl1H23N4O3 non-polymer 0.62 0.09 310 311 C20F1H23N2O1 non-polymer 0.00 0.00 311 312 C25H20N4O6 non-polymer 0.46 0.31 312 313 C4H10O2S1 non-polymer 0.00 0.00 313 314 C36F2H45N3O3 non-polymer 0.00 0.00 314 315 C20F2H28N4O4S1 non-polymer 0.00 0.00 315 316 C35F2H42N4O4 non-polymer 0.00 0.00 316 317 C21Cl1F1H25N3O3S1 non-polymer 0.00 0.00 317 318 C34F2H40N4O4 non-polymer 0.00 0.00 318 319 C20F2H16N4O3 non-polymer 0.00 0.00 319 31A C21H25N3O3 non-polymer 0.20 0.15 31A 31B C28H39N7O15P2 non-polymer 1.00 0.67 31B 31D C25H24N2O4 non-polymer 0.38 0.06 31D 31E C6H7N1O1S1 non-polymer 0.00 0.00 31E 31F C14H11N3O3S1 non-polymer 0.00 0.00 31F 31G C15H14N4O4S1 non-polymer 0.00 0.00 31G 31H C16H24N7O8P1S1 RNA linking 1.00 0.30 31H 31I C27H30N6O3 non-polymer 0.29 0.14 31I 31J C17H22O6 non-polymer 0.75 0.35 31J 31K C17H19N1O3 non-polymer 0.00 0.00 31K 31L C18H21N1O3 non-polymer 0.00 0.00 31L 31M C24H33N8O8P1S1 RNA linking 1.00 0.24 31M 31N C26F1H28N5O5 non-polymer 0.00 0.00 31N 31O C22Cl1H21N4O3 non-polymer 0.60 0.23 31O 31P C23Cl1H23N4O3 non-polymer 0.55 0.23 31P 31Q C10H11Hg1N1O4S1 L-peptide linking 0.00 0.00 31Q 31R C18H14O5 non-polymer 0.00 0.00 31R 31S C23Cl1H19O2 non-polymer 0.50 0.19 31S 31T C21H16N2O5 non-polymer 0.00 0.00 31T 31U C19H29N5O2 non-polymer 0.00 0.00 31U 31V C27H26N8O2 non-polymer 0.00 0.00 31V 31W C21F3H18N3O2S1 non-polymer 0.00 0.00 31W 31X C27H18N4O3 non-polymer 0.00 0.00 31X 31Y C23H23N7O1 non-polymer 0.00 0.00 31Y 31Z C24Cl1F1H23N3O5 non-polymer 1.00 0.26 31Z 320 C22F2H16N4O3 non-polymer 0.00 0.00 320 321 C22H24N4O6S3 non-polymer 0.00 0.00 321 322 Br2C14H13N1O5S2 non-polymer 0.00 0.00 322 323 C25H22N2O4 non-polymer 0.20 0.10 323 324 C17Cl1F2H14N3O3S1 non-polymer 0.00 0.00 324 325 C21F2H16N4O3S1 non-polymer 0.00 0.00 325 326 C18H16N4O9S2 non-polymer 0.00 0.00 326 327 C10H14N2O1S1 non-polymer 0.00 0.00 327 328 C19H20N4O2 non-polymer 0.00 0.00 328 329 C8H10N2O1S1 non-polymer 0.00 0.00 329 32A C13H17N3O2S1 non-polymer 0.28 0.37 32A 32B C27Cl1H30N3O6 non-polymer 1.00 0.24 32B 32C C28Cl1F1H31N3O5 non-polymer 1.00 0.24 32C 32D C24F3H16N5 non-polymer 0.00 0.00 32D 32E C28Cl1F1H31N3O5 non-polymer 1.00 0.24 32E 32F C16H12N2O4 non-polymer 0.00 0.00 32F 32G C21H30N10O1S1 non-polymer 0.00 0.00 32G 32H Br2C14H6N2O2S1 non-polymer 0.00 0.00 32H 32I C18H25N9O3 non-polymer 1.00 0.47 32I 32J C20Cl1H11N2O3S1 non-polymer 0.00 0.00 32J 32K C25Cl1H26N3O6 non-polymer 1.00 0.26 32K 32L C10H21N1O3 L-peptide linking 0.60 0.50 32L 32O C5H10O5 L-saccharide 1.00 1.00 32O 32P C29F1H34N3O6S1 non-polymer 0.31 0.20 32P 32Q C20H27N2O4P1 non-polymer 0.00 0.00 32Q 32R C20H27N2O4P1 non-polymer 0.00 0.00 32R 32S C9H10N2O2Se1 L-peptide linking 0.00 0.00 32S 32T C9H10N2O2S1 L-peptide linking 0.00 0.00 32T 32U C22H28N5O2 peptide-like 0.00 0.00 32U 32V C15H17N3O1S1 non-polymer 0.00 0.00 32V 32W C23H21N5O2 non-polymer 0.61 0.23 32W 32X C9H8N2O1 non-polymer 0.00 0.00 32X 32Y C9H6I1N1O2 non-polymer 0.00 0.00 32Y 32Z C18H26N2O2 non-polymer 0.00 0.00 32Z 330 C24H20N2O5 non-polymer 0.00 0.00 330 331 C27F2H36N2O4 non-polymer 0.75 0.23 331 332 C17H19N3O2S1 non-polymer 0.00 0.00 332 333 C20H14N4O4 non-polymer 0.00 0.00 333 334 Br1C15H13N4O1 non-polymer 0.00 0.00 334 335 C29F4H25N3O6P2 non-polymer 0.00 0.00 335 336 Br2C27Cl1H31N4O2 non-polymer 0.00 0.00 336 337 C30H34N6O5S1 non-polymer 0.38 0.05 337 338 C17H11N1O3 non-polymer 0.00 0.00 338 339 Br1C29H45N10O5S1 non-polymer 0.42 0.28 339 33A C21Cl1H17N4O1 non-polymer 0.00 0.00 33A 33B C16Cl2H14N4O8S2 non-polymer 0.00 0.00 33B 33C C25H21N3O3 non-polymer 0.00 0.00 33C 33D C6H14O1 non-polymer 0.58 0.57 33D 33E C7H5I1N2O3 non-polymer 0.00 0.00 33E 33F C29F6H30N6O6S1 non-polymer 0.50 0.15 33F 33G C25F1H20N5O1 non-polymer 0.00 0.00 33G 33H C24H33N1O5S1 non-polymer 0.38 0.06 33H 33J C21H23N1O3S1 non-polymer 0.00 0.00 33J 33K C17H20N4O5 non-polymer 0.53 0.58 33K 33L C18H21N3O2 non-polymer 0.00 0.00 33L 33M C18H16N6 non-polymer 0.00 0.00 33M 33N C21H20N2O1 non-polymer 0.00 0.00 33N 33O C26H54O14 non-polymer 0.88 1.00 33O 33P C11H20N2O9P2 non-polymer 0.00 0.00 33P 33R C18Cl2H12N4O4S1 non-polymer 0.93 0.14 33R 33S C9H10I1N1O2 L-peptide linking 0.00 0.00 33S 33T C19Cl1F4H18N3O3S1 non-polymer 0.00 0.00 33T 33U C28H31N5O2 peptide-like 0.00 0.00 33U 33V C13H23N3O3S2 non-polymer 0.00 0.00 33V 33W Br1C7H8N1O2S1 L-peptide linking 0.00 0.00 33W 33X C4H9N1O2 D-peptide linking 0.67 1.00 33X 33Y C25F2H24N2O3 non-polymer 0.69 0.19 33Y 33Z C31H38N5O7P1 non-polymer 0.00 0.00 33Z 340 C18H17N1O4 non-polymer 0.00 0.00 340 341 C7F2H6O1 non-polymer 0.00 0.00 341 342 C22H23N3O3 non-polymer 0.00 0.00 342 343 C30H36N5O9P1 non-polymer 0.47 0.60 343 344 C9H7N5O1 non-polymer 0.00 0.00 344 345 C19Cl1H20N1O6S1 non-polymer 0.00 0.00 345 346 C21F1H24N3O5 non-polymer 0.00 0.00 346 347 C22H31N3O6S1 non-polymer 0.56 0.22 347 348 C27H34N4O2 non-polymer 0.00 0.00 348 349 C24F3H21N6O3S1 non-polymer 0.00 0.00 349 34A C8H11N1 non-polymer 0.00 0.00 34A 34B B10C8H20N4 non-polymer 0.00 0.00 34B 34C C11Cl1H13O3 non-polymer 0.58 0.27 34C 34D C7H6O4 non-polymer 0.00 0.00 34D 34E C13H27N3O3 L-peptide linking 0.58 0.74 34E 34F C10Cl2H12N1O5P1 non-polymer 0.00 0.00 34F 34G C29H40N2O4 non-polymer 0.00 0.00 34G 34H C9H10O4 non-polymer 0.00 0.00 34H 34I C18H14N6O2S1 non-polymer 0.00 0.00 34I 34J C18Cl2H15N5O4S1 non-polymer 0.00 0.00 34J 34K Br1C18H13N4O4S1 non-polymer 0.93 0.14 34K 34L C13H8N4O1S1 non-polymer 0.00 0.00 34L 34M C20H19N5O3S1 non-polymer 0.00 0.00 34M 34N C24F1H21N2O3S1 non-polymer 0.00 0.00 34N 34O C17F1H13N2O4S1 non-polymer 0.00 0.00 34O 34P C21H32N6O4S1 peptide-like 0.00 0.00 34P 34Q C18H21N5O2 non-polymer 0.00 0.00 34Q 34R C30H28N6O3 non-polymer 0.29 0.13 34R 34S C30H28N6O3 non-polymer 0.29 0.13 34S 34T C10H13N1O2S1 non-polymer 0.00 0.00 34T 34U C24H27N5O2 non-polymer 0.75 0.16 34U 34V C5H10O5 L-saccharide 1.00 1.00 34V 34W C23F3H25N6O2 non-polymer 0.00 0.00 34W 34X C16F1H14N5O1 non-polymer 0.00 0.00 34X 34Y C30H36N8O3 non-polymer 0.00 0.00 34Y 34Z C7Cl2H4O2 non-polymer 0.00 0.00 34Z 351 C33H27N5O2 non-polymer 0.00 0.00 351 352 C15F1H19N2O2S1 non-polymer 1.00 0.57 352 353 C25Cl1F2H19N4O4 non-polymer 1.00 0.31 353 354 C20H23N5O8S1 non-polymer 0.68 0.44 354 355 C33H33N5O4 non-polymer 0.00 0.00 355 356 C25H28N8O2 non-polymer 0.38 0.06 356 357 C20H28N2O2 non-polymer 0.50 0.21 357 358 C26Cl2F2H22N2O1 non-polymer 0.00 0.00 358 359 C34H39N7O8S1 non-polymer 0.00 0.00 359 35A C24H33N3O4S1 non-polymer 0.20 0.12 35A 35B Br1C21H23N2O6S1 non-polymer 0.00 0.00 35B 35C C6Cl2H4O2 non-polymer 0.00 0.00 35C 35D C27H27N5O2 non-polymer 0.00 0.00 35D 35E C22H25N5O2 non-polymer 0.00 0.00 35E 35F C20H14N6O2 non-polymer 0.00 0.00 35F 35G C10H12N5O7P1 non-polymer 1.00 0.43 35G 35H C23H24N2O5S1 non-polymer 0.50 0.13 35H 35I C27F3H27N6O3 non-polymer 0.29 0.13 35I 35J C7H8N2S1 non-polymer 0.00 0.00 35J 35K C12H13N3O4 non-polymer 0.00 0.00 35K 35M C19H14N2O5 non-polymer 0.00 0.00 35M 35N C16Cu1H16N4 non-polymer 0.00 0.00 35N 35O C20H24N6O3 non-polymer 0.00 0.00 35O 35P C16H20N2O5S1 non-polymer 0.46 0.42 35P 35Q C29F3H32N5O3 non-polymer 0.00 0.00 35Q 35R C19H23N7O2 non-polymer 0.00 0.00 35R 35S C31Cl2H32N2O3 non-polymer 0.00 0.00 35S 35T C29Cl2H34N2O5S1 non-polymer 0.00 0.00 35T 35V C19H25N1O5S1 non-polymer 0.00 0.00 35V 35W C21H16N6 non-polymer 0.00 0.00 35W 35X C17H16N6 non-polymer 0.00 0.00 35X 35Y C5H8N6O3 L-peptide linking 0.50 0.64 35Y 361 C16F3H13N4 non-polymer 0.00 0.00 361 362 C14H10N6 non-polymer 0.00 0.00 362 363 C9H7N5 non-polymer 0.00 0.00 363 364 C19H20N1O7P2 non-polymer 0.00 0.00 364 365 B1C21H27N6O10P1 non-polymer 1.00 0.38 365 367 C21H21N3O5S1 non-polymer 0.75 0.17 367 368 B1C18H21N4O5 non-polymer 0.30 0.36 368 369 C23H18O4 non-polymer 0.00 0.00 369 36A C21Cl1H25N6O5S1 non-polymer 1.00 0.26 36A 36C C17F4H11N3O2 non-polymer 0.00 0.00 36C 36D C13H20N2O4S1 non-polymer 0.55 0.45 36D 36E C8F3H5N2 non-polymer 0.00 0.00 36E 36F C24H32N6O3S1 non-polymer 0.00 0.00 36F 36G C17H18N2O2 non-polymer 0.00 0.00 36G 36I C16H15N3O1S1 non-polymer 0.00 0.00 36I 36J C18H24O5 non-polymer 0.00 0.00 36J 36K C17H18N4O2 non-polymer 0.00 0.00 36K 36L C35H47N1O8 non-polymer 0.46 0.27 36L 36M C10H12O3 non-polymer 0.69 0.46 36M 36N C6H5N3 non-polymer 0.00 0.00 36N 36O C11H15N5 non-polymer 0.00 0.00 36O 36P C16H12N2O1S2 non-polymer 0.00 0.00 36P 36Q C14H15N5O1 non-polymer 0.00 0.00 36Q 36R C7Cl1H5N2O1 non-polymer 0.00 0.00 36R 36S C23Cl1H28N3O1 non-polymer 0.00 0.00 36S 36U C18Cl3H13O2S1 non-polymer 0.00 0.00 36U 36V C18H15N1O4S1 non-polymer 0.00 0.00 36V 36X C12H16N2 non-polymer 0.00 0.00 36X 36Y Br1C9H7N2 non-polymer 0.00 0.00 36Y 36Z C13H14N2O3 non-polymer 0.97 0.22 36Z 370 C21H23N5O2S1 non-polymer 0.00 0.00 370 371 C19H17N1O7S1 non-polymer 0.00 0.00 371 372 C13H13N3O2 non-polymer 0.00 0.00 372 373 C24H26N4O1 non-polymer 0.00 0.00 373 376 C18H20N2O7 non-polymer 1.00 0.63 376 377 C12H21N1 non-polymer 0.00 0.00 377 378 C42H57N5O6S1 non-polymer 0.38 0.19 378 379 C18H23N2O4P1 non-polymer 0.00 0.00 379 37A C20H21N3O5 non-polymer 0.00 0.00 37A 37B C19H24N1O4P1 non-polymer 0.00 0.00 37B 37D C10H10N2O3 non-polymer 0.97 0.27 37D 37E C8H19N2O3P1 non-polymer 0.00 0.00 37E 37F C27F3H24N5O2 non-polymer 0.00 0.00 37F 37G C28Cl2H22N2O4 non-polymer 0.00 0.00 37G 37H C17H27N9O5 non-polymer 1.00 0.32 37H 37J C20F6H11N5O3S1 non-polymer 0.00 0.00 37J 37K C46H60N2O10 non-polymer 0.00 0.00 37K 37L C39H47N1O11 non-polymer 0.38 0.08 37L 37M C63H64N2O15 non-polymer 0.00 0.00 37M 37N C18H16N2O5S1 non-polymer 0.00 0.00 37N 37O C35H40N8O4 non-polymer 0.00 0.00 37O 37P C27H27N7O10S1 non-polymer 1.00 0.22 37P 37Q C20H16N6O1 non-polymer 0.38 0.19 37Q 37R C17H18N2O4 non-polymer 0.00 0.00 37R 37T C7H8N4O2 non-polymer 0.00 0.00 37T 37U C21F1H24N3O2 peptide-like 0.00 0.00 37U 37V C17F1H13N2O4S1 non-polymer 0.00 0.00 37V 37W C19H22N2O4S1 non-polymer 0.00 0.00 37W 37X C27H52O12 non-polymer 1.00 0.79 37X 37Y C31H48N4O7 peptide-like 0.60 0.17 37Y 37Z C8H21N3 non-polymer 0.00 0.00 37Z 380 C24H26N4O3 non-polymer 0.00 0.00 380 381 C10H22N1O2P1 non-polymer 0.00 0.00 381 382 C22F2H23N7O1 non-polymer 0.00 0.00 382 383 C17H23N3O9 non-polymer 0.00 0.00 383 384 C20Cl2H28N2O6S1 non-polymer 0.75 0.32 384 385 C33H41N3O10S2 non-polymer 0.00 0.00 385 386 C20F5H10N5O5S1 non-polymer 0.00 0.00 386 387 C17Cl2H19N3O2 non-polymer 0.00 0.00 387 388 Br1C16Cl1F1H12N1O4 non-polymer 0.00 0.00 388 389 C27H36N4O3 non-polymer 0.00 0.00 389 38A C12H18O3 non-polymer 0.00 0.00 38A 38B C13H11N3O3 non-polymer 0.00 0.00 38B 38C C18F3H14N3O3 non-polymer 0.00 0.00 38C 38D C14Cl2H10N2O3 non-polymer 0.25 0.24 38D 38E C12F2H10N2O2 non-polymer 0.00 0.00 38E 38F C20H25N1O2 non-polymer 0.00 0.00 38F 38G C24H27N5O3 non-polymer 0.41 0.31 38G 38H C35H28N8O4S2 non-polymer 0.00 0.00 38H 38I B1C20Cl2H30N2O5 non-polymer 0.93 0.13 38I 38J C18H32O16 non-polymer 1.00 1.00 38J 38K C22H19N5O6S1 non-polymer 0.00 0.00 38K 38L C6H5N1O4 non-polymer 0.00 0.00 38L 38M C29Cl1H35N4O2S1 non-polymer 0.00 0.00 38M 38N C31H48N4O7 peptide-like 0.60 0.17 38N 38O C21F1H21N6O1 non-polymer 0.00 0.00 38O 38P C22H26N6O2 non-polymer 0.00 0.00 38P 38Q C23H19N5O5 non-polymer 0.00 0.00 38Q 38R C20H21N7 non-polymer 0.00 0.00 38R 38S C10H14N2O4 non-polymer 1.00 0.56 38S 38T C10H14N2O6 non-polymer 1.00 1.00 38T 38U C11H10O2 non-polymer 0.00 0.00 38U 38V C21H30N10O19P4 non-polymer 1.00 0.37 38V 38W C21H22N6O1 non-polymer 0.39 0.18 38W 38X C37H46N4O5 peptide-like 0.60 0.50 38X 38Y B1Br1C20H25N6O9P1 non-polymer 1.00 0.26 38Y 38Z C33H33N9O2 non-polymer 0.00 0.00 38Z 390 C24Cl2F1H20N5O2 non-polymer 0.38 0.26 390 391 C21H16N4O4 non-polymer 0.00 0.00 391 392 C17Cl2H19N3O2 non-polymer 0.00 0.00 392 393 C16Cl1H13N2O6 non-polymer 0.00 0.00 393 394 C23F1H26N1O4 non-polymer 0.00 0.00 394 395 C23F1H26N1O4 non-polymer 0.00 0.00 395 396 C28Cl1H25N4O4 non-polymer 0.00 0.00 396 397 C14H10O3 non-polymer 0.00 0.00 397 398 C40Cl1H41I1N5O5S1 non-polymer 0.00 0.00 398 39A C7H10N5 non-polymer 0.00 0.00 39A 39C C12H17N1O2 non-polymer 0.60 0.47 39C 39D C26H31N5O2 non-polymer 0.00 0.00 39D 39F C26Cl1H30N7O1 non-polymer 0.00 0.00 39F 39G C22H26N4O3S1 non-polymer 0.00 0.00 39G 39H C23H21N3O3 non-polymer 0.00 0.00 39H 39J C4Cl1H7O2 non-polymer 0.00 0.00 39J 39K C23H27N1O4S3 non-polymer 0.00 0.00 39K 39L C9F1H11N2O6P2 non-polymer 0.00 0.00 39L 39N C18H32O16 non-polymer 1.00 1.00 39N 39O C10H13N3O1 non-polymer 0.00 0.00 39O 39P C22H23N7O3 non-polymer 0.00 0.00 39P 39Q C31H42N4O7 peptide-like 0.60 0.17 39Q 39R C14H12N4 non-polymer 0.00 0.00 39R 39S C29H37N9O12 peptide-like 0.68 0.60 39S 39U C9H13N3O1S1 non-polymer 0.00 0.00 39U 39V C37H40N4O5 peptide-like 0.60 0.50 39V 39W C37F1H45N6O7S2 non-polymer 0.00 0.00 39W 39X C21F1H16N3O3 non-polymer 0.45 0.32 39X 39Y C8H14O2 non-polymer 0.56 0.60 39Y 39Z C14H12N2O2 non-polymer 0.00 0.00 39Z 3A0 C7H13N1O2 non-polymer 0.00 0.00 3A0 3A1 C29H41N4O8P1 peptide-like 0.84 0.17 3A1 3A2 C29H44N5O8P1 peptide-like 0.00 0.00 3A2 3A3 C17H13N1O7 non-polymer 0.00 0.00 3A3 3A4 C29H34N4O2 non-polymer 0.00 0.00 3A4 3A5 C8H11N1O6 L-peptide linking 0.93 1.00 3A5 3A6 C23F1H19N4O3S1 non-polymer 0.50 0.16 3A6 3A7 Br1C23H29N4O2 non-polymer 0.00 0.00 3A7 3A8 C17H13N3O2 non-polymer 0.00 0.00 3A8 3A9 C9H8O3 non-polymer 0.00 0.00 3A9 3AA C20H29N7O16P3 non-polymer 1.00 0.50 3AA 3AB C7H8N2O1 non-polymer 0.00 0.00 3AB 3AC C17H15I1N2O2 non-polymer 0.17 0.14 3AC 3AD C10H13N5O3 non-polymer 1.00 0.50 3AD 3AE C8F3H5O2 non-polymer 0.00 0.00 3AE 3AF C28H40N4O1 non-polymer 0.00 0.00 3AF 3AG C9H18N1O7P2 non-polymer 0.50 0.58 3AG 3AH C8H11N7O2 L-peptide linking 0.00 0.00 3AH 3AI C23H38N4O4S1 peptide-like 0.58 0.44 3AI 3AJ C32H49N1O4 non-polymer 0.55 0.16 3AJ 3AK C15H11N1O2 non-polymer 0.00 0.00 3AK 3AL C4H6N4O3 non-polymer 1.00 0.73 3AL 3AM C10H14N5O7P1 non-polymer 1.00 0.43 3AM 3AN C10H16N6O9P2 non-polymer 1.00 0.37 3AN 3AO C8H9N1O1 non-polymer 0.62 0.30 3AO 3AP C5H7N2 non-polymer 0.00 0.00 3AP 3AQ C8H7N1O1 non-polymer 0.00 0.00 3AQ 3AR C9H21N4O2 L-peptide linking 0.43 0.67 3AR 3AS C20F2H20O4 non-polymer 0.40 0.23 3AS 3AT C10H16N5O12P3 non-polymer 1.00 0.30 3AT 3AU C13H20N3O11P1 RNA linking 1.00 0.36 3AU 3AV C10H8O2 non-polymer 0.00 0.00 3AV 3AW C4H7N5 non-polymer 0.00 0.00 3AW 3AX C3H5N3 non-polymer 0.00 0.00 3AX 3AY C4H7N5 non-polymer 1.00 1.00 3AY 3AZ C8H9N1O2 peptide-like 0.00 0.00 3AZ 3B0 C6F3H5N2 non-polymer 0.00 0.00 3B0 3B1 C12H14N2O1 non-polymer 0.00 0.00 3B1 3B2 C23H36N5O10P1S2 non-polymer 0.62 0.24 3B2 3B3 C12H14N4O3 non-polymer 0.00 0.00 3B3 3B4 C13H17N1O2 non-polymer 0.00 0.00 3B4 3B5 C30H38N9O4S1 non-polymer 0.46 0.18 3B5 3B6 C18H14I1N3O3 non-polymer 0.67 0.32 3B6 3B7 C36H62O31 non-polymer 1.00 1.00 3B7 3B8 C13F1H8N3O3 non-polymer 1.00 0.70 3B8 3B9 C24H24N6O2 non-polymer 0.38 0.19 3B9 3BA C17H22N8O1 non-polymer 0.38 0.08 3BA 3BB Br1C4H7O1 non-polymer 0.58 0.83 3BB 3BC C38H56N6O8 non-polymer 0.56 0.58 3BC 3BD C20H25N9O1 non-polymer 0.38 0.07 3BD 3BE Br3C14H9N2O3 non-polymer 0.25 0.23 3BE 3BF C25H36N9O4S1 non-polymer 0.46 0.21 3BF 3BG C27H31N7O4 non-polymer 1.00 0.24 3BG 3BH C10H14N6O4 non-polymer 1.00 0.50 3BH 3BI C25H31N8O9P1 non-polymer 0.55 0.21 3BI 3BJ C21Cl2H20N8O1 non-polymer 1.00 0.28 3BJ 3BK C17Cl2H18N6O4 non-polymer 1.00 0.34 3BK 3BL C29H34N4O2 non-polymer 0.00 0.00 3BL 3BM C16Cl1F2H14I1N2O4 non-polymer 0.98 0.35 3BM 3BN C29H33N3O5S1 non-polymer 0.20 0.11 3BN 3BO C10H8N2 non-polymer 0.00 0.00 3BO 3BP C30H36N6O5S1 non-polymer 0.00 0.00 3BP 3BQ C19H26N4O1 non-polymer 0.00 0.00 3BQ 3BR Br1C3H7 non-polymer 0.00 0.00 3BR 3BS C16Cl1H25N4O3S2 non-polymer 0.00 0.00 3BS 3BT C12H18N4S2 non-polymer 0.00 0.00 3BT 3BU C6H12O6 non-polymer 1.00 1.00 3BU 3BV C40H61N5O7 peptide-like 0.70 0.13 3BV 3BW C19Cl1H20N1O4S1 non-polymer 0.00 0.00 3BW 3BX C26H30N2O5 non-polymer 0.00 0.03 3BX 3BY C6H11N1O2 L-peptide linking 0.00 0.00 3BY 3BZ C7Cl1H5O2 non-polymer 0.00 0.00 3BZ 3C0 C18H24N1O4 non-polymer 1.00 0.78 3C0 3C1 C8H11N3O2S1 non-polymer 0.00 0.00 3C1 3C2 C8H11N3O2S1 non-polymer 0.00 0.00 3C2 3C3 C9H15N9O2 non-polymer 0.00 0.00 3C3 3C4 C8Cl1H7O3 non-polymer 0.00 0.00 3C4 3C5 C13H14N2 non-polymer 0.00 0.00 3C5 3C6 C18H22N4O2 non-polymer 0.00 0.00 3C6 3C7 C7H11N1O2S3 non-polymer 0.00 0.00 3C7 3C8 C16H19N7 non-polymer 0.00 0.00 3C8 3C9 C16H24N6O3S1 non-polymer 0.00 0.00 3C9 3CA C13Cl2H8O3 non-polymer 0.00 0.00 3CA 3CB C27H37N7O6S1 non-polymer 0.00 0.00 3CB 3CC C17H26N2O3S1 non-polymer 0.00 0.00 3CC 3CD C22Cl1H28N6O14P2 non-polymer 1.00 0.51 3CD 3CE C6Cl1H5O2 non-polymer 0.00 0.00 3CE 3CF C10H10N2O2 L-peptide linking 0.00 0.00 3CF 3CG C9H9O5Sb1 non-polymer 0.58 0.33 3CG 3CH C6Cl1H5O1 non-polymer 0.00 0.00 3CH 3CJ C7H10N2O1S1 non-polymer 0.00 0.00 3CJ 3CK C12H22O11 non-polymer 1.00 1.00 3CK 3CL C3Cl1H7O1 non-polymer 0.00 0.00 3CL 3CM C21H38O11 D-saccharide 1.00 0.72 3CM 3CN C3H9N1 non-polymer 0.00 0.00 3CN 3CO Co1 non-polymer 0.00 0.00 3CO 3CP C25H42N7O18P3S1 non-polymer 1.00 0.43 3CP 3CQ C35F1H32N5O4S2 non-polymer 0.36 0.09 3CQ 3CR C9H9N1O3 non-polymer 0.93 0.31 3CR 3CS C36H37I1N2O4 non-polymer 0.93 0.35 3CS 3CT C9Cl1H10N1O3 L-peptide linking 0.00 0.00 3CT 3CU C8H15N1O5 non-polymer 1.00 1.00 3CU 3CX C9H19N1O4S1 non-polymer 0.00 0.00 3CX 3CY C31H34N4O9S1 non-polymer 0.00 0.00 3CY 3CZ C21H27N3O4S1 non-polymer 0.38 0.07 3CZ 3D0 C30H45N7O6 non-polymer 0.50 0.51 3D0 3D1 C10H13N5O3 non-polymer 1.00 0.50 3D1 3D2 C18H24N4O1 non-polymer 0.00 0.00 3D2 3D3 C7H8N6O1S1 non-polymer 0.00 0.00 3D3 3D4 C33H45N7O5 non-polymer 0.60 0.18 3D4 3D5 C18H24N4O1 non-polymer 0.00 0.00 3D5 3D6 C18H24N4O1 non-polymer 0.00 0.00 3D6 3D7 C9H10N4O1 non-polymer 0.00 0.00 3D7 3D8 C11H9N5 non-polymer 0.00 0.00 3D8 3D9 C17H13N5 non-polymer 0.00 0.00 3D9 3DA C10H14N5O6P1 RNA linking 1.00 0.41 3DA 3DB C8H8N4O4S3 non-polymer 0.00 0.00 3DB 3DC C14H11N7 non-polymer 0.00 0.00 3DC 3DD C10H12N4O4 non-polymer 0.88 0.50 3DD 3DE C14H17N2O2 non-polymer 0.75 0.28 3DE 3DG C10H13N5O4 non-polymer 1.00 0.47 3DG 3DH C12H17N5O3S1 non-polymer 1.00 0.43 3DH 3DJ C10H12N2O4 non-polymer 0.56 0.50 3DJ 3DK C21F2H16N6 non-polymer 0.00 0.00 3DK 3DL C17H12N2O3 non-polymer 0.00 0.00 3DL 3DM C8H10O3 non-polymer 0.00 0.00 3DM 3DN C24H29N3O1 non-polymer 0.20 0.11 3DN 3DO C6H12O5 saccharide 1.00 1.00 3DO 3DP C13H29N1O3S1 non-polymer 0.20 0.17 3DP 3DQ C15H18O7 non-polymer 0.00 0.00 3DQ 3DR C5H11O6P1 DNA linking 0.00 0.00 3DR 3DS C7H8O5 non-polymer 0.00 0.00 3DS 3DT C11H16N2O5 non-polymer 1.00 0.94 3DT 3DU C10H14N1O9P1 non-polymer 1.00 0.48 3DU 3DV C17H13N3O3 non-polymer 0.00 0.00 3DV 3DW C22H21N5O2 non-polymer 0.00 0.00 3DW 3DX C22H20N6 non-polymer 0.00 0.00 3DX 3DY C6H10O5 L-saccharide 1.00 0.91 3DY 3DZ C20H27N2O4P1 non-polymer 0.00 0.00 3DZ 3E0 C14F1H15N2O2S1 non-polymer 0.00 0.00 3E0 3E1 C16H16N2O4 non-polymer 0.00 0.00 3E1 3E2 C11H8N4O2S1 non-polymer 0.00 0.00 3E2 3E3 C15H24N2O2 non-polymer 0.00 0.00 3E3 3E4 C32Cl1H31N6O3S1 non-polymer 0.00 0.00 3E4 3E5 C35H52N4O6 peptide-like 0.38 0.62 3E5 3E7 C28H24N2O3S1 non-polymer 0.00 0.00 3E7 3E8 C29H28N6O2 non-polymer 0.00 0.00 3E8 3E9 C15H30O7P2 non-polymer 0.38 0.46 3E9 3EA C24F3H23N2O5 non-polymer 0.83 0.15 3EA 3EB C10H10O4 non-polymer 0.00 0.00 3EB 3EC C8H11N1O2S1 non-polymer 0.00 0.00 3EC 3EE C10H9N1O4 non-polymer 0.94 0.53 3EE 3EF C38H38N3O9P1 non-polymer 0.00 0.00 3EF 3EG C4F3H6N1O2 L-peptide linking 0.44 0.70 3EG 3EH C26H34N4O5S1 non-polymer 0.00 0.00 3EH 3EJ C22F1H17N6O3 non-polymer 0.00 0.00 3EJ 3EK C24F1H26N5O3 non-polymer 0.00 0.00 3EK 3EL C31H30N6O3S1 non-polymer 0.00 0.00 3EL 3EM C43H51N5O8S1 non-polymer 0.00 0.00 3EM 3EN C28H36N4O4S1 non-polymer 0.00 0.00 3EN 3EO C37H46N6O7S2 non-polymer 0.00 0.00 3EO 3EP C6H15P1 non-polymer 0.00 0.00 3EP 3EQ C30H31N1O5S2 non-polymer 0.00 0.00 3EQ 3ER C9Cl1H10N1O4S1 non-polymer 0.42 0.62 3ER 3ES C38H38N3O9P1 non-polymer 0.00 0.00 3ES 3ET C16H21N3O10 non-polymer 0.84 0.72 3ET 3EU C8Cl2H6O2 non-polymer 0.00 0.00 3EU 3EV C27H44O3 non-polymer 0.55 0.20 3EV 3EW Br1C17Cl1F1H15N4O3 non-polymer 0.84 0.26 3EW 3EX C19F1H18N3O4 non-polymer 0.84 0.26 3EX 3EY C19F1H19N4O3 non-polymer 0.84 0.26 3EY 3EZ C34H32N6O2 non-polymer 0.00 0.00 3EZ 3F0 C7F1H6N1O2 non-polymer 0.00 0.00 3F0 3F1 C21H21N1O3S2 non-polymer 0.00 0.00 3F1 3F2 C32H28N6O2 non-polymer 0.00 0.00 3F2 3F3 C23H23N3O3S1 non-polymer 0.00 0.00 3F3 3F4 C14H10N2O2 non-polymer 0.00 0.00 3F4 3F5 C13H19N7O5 non-polymer 1.00 0.56 3F5 3F6 C30H28N6 non-polymer 0.00 0.00 3F6 3F7 C14H8N2O4 non-polymer 0.00 0.00 3F7 3F8 C14H16N2O6 non-polymer 0.67 0.45 3F8 3F9 C29H34N2O2 non-polymer 0.61 0.21 3F9 3FA C6F1H5O2 non-polymer 0.00 0.00 3FA 3FB C10H13N1O2 non-polymer 0.00 0.00 3FB 3FC C26F3H32N5O7 non-polymer 0.38 0.41 3FC 3FD C25Cl2H23N7O4 non-polymer 1.00 0.26 3FD 3FE C17H15N5O1 non-polymer 0.00 0.00 3FE 3FF C24F2H21N1O4 non-polymer 0.98 0.19 3FF 3FG C8H9N1O4 L-peptide linking 0.00 0.00 3FG 3FH C6F3H4N1O1S1 non-polymer 0.00 0.00 3FH 3FI C16H18N4O5 non-polymer 0.50 0.24 3FI 3FK C10Cl2H11N1O2 non-polymer 0.42 0.60 3FK 3FL C17H22N4O4 non-polymer 0.00 0.00 3FL 3FM C7H13N1O7 D-saccharide 1.00 0.80 3FM 3FN C19F2H18N4O3 non-polymer 0.00 0.00 3FN 3FO C22Cl1H26N5O5S1 peptide-like 0.00 0.00 3FO 3FP C22F4H23N5O2 non-polymer 0.61 0.21 3FP 3FQ C22F4H25N5O3 non-polymer 0.61 0.21 3FQ 3FR C28Cl1H24N5O1 non-polymer 0.00 0.00 3FR 3FS C16Cl2H20N4O4 peptide-like 0.00 0.00 3FS 3FT C20F4H15N1O4 non-polymer 0.00 0.00 3FT 3FU C22Cl2H28N6O2 peptide-like 0.20 0.09 3FU 3FV C17Cl1H18N7O1 non-polymer 0.00 0.00 3FV 3FW C6H8N4 non-polymer 0.00 0.00 3FW 3FX C9H19N1O4S1 non-polymer 0.00 0.00 3FX 3FY Br1C25H29N6O2S1 non-polymer 0.00 0.00 3FY 3FZ C8H8N2O1 non-polymer 0.00 0.00 3FZ 3G0 C4N4Pt1 non-polymer 0.00 0.33 3G0 3G1 C14H12O3S1 non-polymer 0.00 0.00 3G1 3G3 C11H9N5O2 non-polymer 0.00 0.00 3G3 3G4 C18Cl1H22N3O3S1 non-polymer 0.00 0.00 3G4 3G5 Br2C16H8O5 non-polymer 0.00 0.00 3G5 3G6 C22H32O3 non-polymer 0.50 0.32 3G6 3G7 C25Cl1H29N4O4 non-polymer 0.62 0.09 3G7 3G8 C18H17N1O3S1 non-polymer 0.00 0.00 3G8 3G9 C19Cl1H19N2O2 non-polymer 0.62 0.12 3G9 3GA C9H18N4O1 L-peptide linking 0.00 0.00 3GA 3GB C62H117N1O18 non-polymer 1.00 0.53 3GB 3GC C8H14N2O5S1 non-polymer 0.56 0.94 3GC 3GD C52H99N1O13 non-polymer 1.00 0.48 3GD 3GE C9H18N1O6S1 non-polymer 0.66 0.82 3GE 3GF C24H23N5 non-polymer 0.00 0.00 3GF 3GG C14H12N6O1 non-polymer 0.00 0.00 3GG 3GH C50H99N1O7 non-polymer 1.00 0.19 3GH 3GJ C19Cl2H17N3O4 non-polymer 0.00 0.00 3GJ 3GK C16F3H10N7O1 non-polymer 0.00 0.00 3GK 3GL C5H9N1O5 L-peptide linking 0.88 1.00 3GL 3GM C26H30N2O7 non-polymer 0.00 0.00 3GM 3GN C13H16N4O1 non-polymer 0.00 0.00 3GN 3GO C28H26N8O4 non-polymer 1.00 0.25 3GO 3GP C10H14N5O8P1 non-polymer 1.00 0.42 3GP 3GQ C9H6O6 non-polymer 0.00 0.00 3GQ 3GR C3H6O3 non-polymer 1.00 1.00 3GR 3GS C16F1H14N1O5S1 non-polymer 0.97 0.33 3GS 3GT C34Cl1H46N3O10 non-polymer 0.61 0.21 3GT 3GU C15H21N5O4 non-polymer 1.00 0.42 3GU 3GV C11H11N1O4 non-polymer 0.00 0.00 3GV 3GW C22H29N3O18P2S1 non-polymer 1.00 0.54 3GW 3GX C15H16N2O1 non-polymer 0.00 0.00 3GX 3GY C10H14 non-polymer 0.00 0.00 3GY 3GZ C12H18 non-polymer 0.00 0.00 3GZ 3H0 C9H12 non-polymer 0.00 0.00 3H0 3H1 C23Cl1H29O4 non-polymer 0.38 0.07 3H1 3H2 C11H16 non-polymer 0.00 0.00 3H2 3H3 C26H35N1O6 non-polymer 0.41 0.33 3H3 3H4 C31H45N3O7 non-polymer 0.50 0.59 3H4 3H5 C13H13N5O1 non-polymer 0.00 0.00 3H5 3H6 C17F1H12N5O1 non-polymer 0.00 0.00 3H6 3H7 C7F2H4N2S1 non-polymer 0.00 0.00 3H7 3H8 C23Cl1H19N6O2 non-polymer 0.00 0.00 3H8 3H9 C27H42N7O18P3S1 non-polymer 1.00 0.41 3H9 3HA C7H7N1O3 non-polymer 0.00 0.00 3HA 3HB C7H6O3 non-polymer 0.00 0.00 3HB 3HC C25H42N7O18P3S1 non-polymer 1.00 0.43 3HC 3HD C7H14O5 non-polymer 1.00 0.92 3HD 3HE C15H23N1O4 non-polymer 0.00 0.00 3HE 3HF C36H46N4O4 non-polymer 0.00 0.00 3HF 3HG C5H8O5 non-polymer 0.98 1.00 3HG 3HH C34F2H37N5O4 non-polymer 0.00 0.00 3HH 3HI C33F1H35N2O6 non-polymer 0.00 0.00 3HI 3HJ C23H20N6O2 non-polymer 0.00 0.00 3HJ 3HK C25H26N4O3 non-polymer 0.00 0.00 3HK 3HL C4H8O3 non-polymer 0.88 1.00 3HL 3HM C7H7N1O3 non-polymer 0.00 0.00 3HM 3HN C23F1H19N6O2 non-polymer 0.00 0.00 3HN 3HO C8H16O3 non-polymer 0.00 0.00 3HO 3HP C8H8O3 non-polymer 0.00 0.00 3HP 3HQ C24H22N6O2 non-polymer 0.00 0.00 3HQ 3HR C4H8O3 non-polymer 0.88 1.00 3HR 3HS C29Cl3H18N3O6 non-polymer 0.00 0.00 3HS 3HT C16H12N4O2S1 non-polymer 0.00 0.00 3HT 3HU C15H13N3O6S2 non-polymer 0.00 0.00 3HU 3HV C31Cl2H21N3O5S1 non-polymer 0.00 0.00 3HV 3HW C29Cl2H19N3O5S1 non-polymer 0.00 0.00 3HW 3HX C8H21N7O3 non-polymer 0.00 0.00 3HX 3HY C7H8O2 non-polymer 0.00 0.00 3HY 3HZ C31Cl2H23N3O6 non-polymer 0.00 0.00 3HZ 3I6 Br1C13H16N5O3S1 non-polymer 0.50 0.22 3I6 3I7 C19H21N4O2 non-polymer 0.00 0.00 3I7 3IB C12H13N1O2 non-polymer 0.00 0.00 3IB 3ID C8H7N1O2 non-polymer 0.00 0.00 3ID 3IG C20H26N6O3 non-polymer 0.00 0.00 3IG 3IH C35H48N6O8 non-polymer 0.44 0.33 3IH 3II C32Cl2H34N4O5 non-polymer 0.00 0.00 3II 3IL C11H11N1O3 non-polymer 0.00 0.00 3IL 3IN C37Cl1H55N8O5 non-polymer 0.39 0.10 3IN 3IO C11H9N1O3 non-polymer 0.56 0.47 3IO 3IP C12H12N2O1 non-polymer 0.00 0.00 3IP 3IT C10H10O2 non-polymer 0.38 0.25 3IT 3J0 C29Cl2H19N3O5S1 non-polymer 0.00 0.00 3J0 3J1 C19H16N4O2 non-polymer 0.00 0.00 3J1 3J2 C19H22O7 non-polymer 1.00 0.73 3J2 3J3 C11H22N2O10S2 non-polymer 1.00 0.44 3J3 3J4 C10H20N2O10S2 non-polymer 1.00 0.46 3J4 3J5 C27H29N5O2 non-polymer 0.00 0.00 3J5 3J6 C15H20O6 non-polymer 1.00 0.90 3J6 3J7 C18H19N7 non-polymer 0.40 0.24 3J7 3J8 C13H10N2O1 non-polymer 0.00 0.00 3J8 3J9 C20F1H20N3O3 non-polymer 0.00 0.00 3J9 3JA C14H16N6O1 non-polymer 0.00 0.00 3JA 3JB C20H17N7O2 non-polymer 0.00 0.00 3JB 3JC C15H15N3O1 non-polymer 0.00 0.00 3JC 3JD C19H20N4O1 non-polymer 0.00 0.00 3JD 3JE C26H20P1 non-polymer 0.00 0.07 3JE 3JF C24H32N4O4S1 non-polymer 0.38 0.06 3JF 3JG C21H27N3O4 non-polymer 0.38 0.07 3JG 3JH C30H43N5O5S1 non-polymer 0.38 0.05 3JH 3JI C16H17N2O4 non-polymer 0.00 0.00 3JI 3JJ C30H43N5O5S1 non-polymer 0.38 0.15 3JJ 3JK C22H29N3O4 non-polymer 0.38 0.07 3JK 3JL C12H12O6 non-polymer 0.00 0.00 3JL 3JM C11H10O6 non-polymer 0.00 0.00 3JM 3JN C12H10O6 non-polymer 0.67 0.28 3JN 3JO C33H41N5O5S1 non-polymer 0.38 0.05 3JO 3JP C26Cl2H32N2O6S1 non-polymer 0.00 0.00 3JP 3JQ C26Cl2H32N2O8S1 non-polymer 0.00 0.00 3JQ 3JR C26Cl2H32N2O8S1 non-polymer 0.00 0.00 3JR 3JS C23H28N4O5S1 non-polymer 0.00 0.00 3JS 3JT C21H27N3O3S1 non-polymer 0.38 0.07 3JT 3JU C22H29N3O3S1 non-polymer 0.38 0.07 3JU 3JV C22H29N3O3S1 non-polymer 0.38 0.07 3JV 3JW C16H17N7O2S1 non-polymer 0.00 0.00 3JW 3JX C33H29N3O5 non-polymer 0.31 0.20 3JX 3JY C13H19N2O8P1 non-polymer 1.00 0.62 3JY 3JZ C22F3H21N6O3S1 non-polymer 0.20 0.11 3JZ 3K0 C5H10N2O6S1 non-polymer 0.68 0.71 3K0 3K1 C11H8N6O2 non-polymer 0.00 0.00 3K1 3K2 C33H29N3O5 non-polymer 0.31 0.20 3K2 3K3 C25F3H17N4O3 non-polymer 0.00 0.00 3K3 3K4 C4H7N1O2 L-peptide linking 0.00 0.00 3K4 3K5 C40H52O17 non-polymer 1.00 0.51 3K5 3K6 C22H24N6O2S1 non-polymer 0.00 0.00 3K6 3K7 C15Cl1H15N4O2 non-polymer 0.00 0.00 3K7 3K8 C24H27N1O3 non-polymer 0.00 0.00 3K8 3K9 C23F1H17N6O2 non-polymer 0.00 0.00 3K9 3KA C9H13N2O8P1 non-polymer 1.00 0.45 3KA 3KB C21F3H15N4O2 non-polymer 0.00 0.00 3KB 3KC C20Cl1H12N3O1 non-polymer 0.00 0.00 3KC 3KD C16H17N1O4 non-polymer 0.00 0.00 3KD 3KE C24H21N5O4 non-polymer 0.00 0.00 3KE 3KF C14H13N1O7 non-polymer 0.00 0.00 3KF 3KG C20F3H13N4O1 non-polymer 0.00 0.00 3KG 3KH C8H6N6S1 non-polymer 0.00 0.00 3KH 3KJ C7H16N4O3 non-polymer 0.43 0.71 3KJ 3KK C25H42N7O18P3S1 non-polymer 1.00 0.54 3KK 3KL C24H38O3 non-polymer 0.00 0.00 3KL 3KM C27H33N5O4S1 non-polymer 0.00 0.00 3KM 3KN C7H7N5S1 non-polymer 0.00 0.00 3KN 3KO C24H40N4O2 non-polymer 0.00 0.00 3KO 3KP C3Cl3H5 non-polymer 0.00 0.00 3KP 3KQ C24Cl2H22N2O5 non-polymer 0.00 0.00 3KQ 3KR C22F3H23N2O7S1 non-polymer 0.50 0.14 3KR 3KS C17H28N4O9 non-polymer 0.56 1.00 3KS 3KT C24H42N4O1 non-polymer 0.00 0.00 3KT 3KU C25H37N5O2 non-polymer 0.00 0.00 3KU 3KV C20H28O2 non-polymer 0.50 0.41 3KV 3KW C28H39N5O1 non-polymer 0.00 0.00 3KW 3KX C18H21N1O2 non-polymer 0.00 0.00 3KX 3KY C20H25N1O2 non-polymer 0.00 0.00 3KY 3KZ C24F1H27N4O2 non-polymer 0.00 0.00 3KZ 3L0 C23H27N5O2 non-polymer 0.00 0.00 3L0 3L1 C10H13N5O3 non-polymer 1.00 0.50 3L1 3L2 C27H34O9 non-polymer 1.00 0.39 3L2 3L3 Br1C13H19N6O8P2 non-polymer 0.50 0.17 3L3 3L4 C12H20N6O8P2 non-polymer 0.50 0.18 3L4 3L5 C13H24N6O8P2 non-polymer 0.56 0.21 3L5 3L6 C12H22N7O4P1 non-polymer 0.00 0.00 3L6 3L7 C13H21N5O8P2 non-polymer 0.50 0.18 3L7 3L8 C12H21N5O8P2 non-polymer 0.00 0.00 3L8 3L9 C53H64O33 non-polymer 1.00 0.64 3L9 3LA C12H22O3 non-polymer 0.00 0.00 3LA 3LB C27H34N10O13S3 non-polymer 0.81 0.36 3LB 3LC C26H32N10O13S3 non-polymer 0.81 0.35 3LC 3LD C12H12N2O2 non-polymer 0.00 0.00 3LD 3LE C25H32N10O13S3 non-polymer 0.81 0.33 3LE 3LF C12H16O5 non-polymer 0.00 0.00 3LF 3LG C32H35N3O7 non-polymer 0.83 0.12 3LG 3LH C25H21N5O2 non-polymer 0.00 0.00 3LH 3LI C28Cl1H33N10O4S1 non-polymer 1.00 0.30 3LI 3LJ C6H13N1O8S1 non-polymer 1.00 0.75 3LJ 3LK C32H54N2O5S1 non-polymer 0.00 0.00 3LK 3LL C25F1H19N4O3 non-polymer 0.00 0.06 3LL 3LM C13H19N2O7P1S1 non-polymer 0.93 0.25 3LM 3LN C24H24N4O3 non-polymer 0.55 0.19 3LN 3LO C25F2H19N3O3 non-polymer 0.00 0.00 3LO 3LP C22H32N2O1 non-polymer 0.00 0.00 3LP 3LQ C23H17N3O4 non-polymer 0.00 0.00 3LQ 3LR C6H12O5 L-saccharide 0.99 1.00 3LR 3LS C26H16O8S5 non-polymer 0.00 0.00 3LS 3LT C19H32N4O11 non-polymer 1.00 0.74 3LT 3LU C21H22N3O8S2 non-polymer 0.00 0.00 3LU 3LV C20H30N2O5 non-polymer 0.00 0.00 3LV 3LW Br1C15H21N1S1 non-polymer 0.00 0.00 3LW 3LX C13H26S1 non-polymer 0.00 0.00 3LX 3LZ C19H19N5O2S1 non-polymer 1.00 0.30 3LZ 3M0 C8H9N1O2 non-polymer 0.00 0.00 3M0 3M1 C13F1H8N1O5 non-polymer 0.00 0.00 3M1 3M2 Br2C11H9N3O2 non-polymer 0.00 0.00 3M2 3M3 C14F1H17N2O1 non-polymer 0.00 0.00 3M3 3M4 C15H13N3O2 non-polymer 0.00 0.00 3M4 3M5 C14H23N1O4 non-polymer 0.00 0.00 3M5 3M6 C30F4H30N4O7S1 non-polymer 0.64 0.13 3M6 3M7 C36Cl1H48N5O9S1 non-polymer 0.56 0.10 3M7 3M8 C9F1H8N1O4S2 non-polymer 0.00 0.00 3M8 3M9 C24F1H22N5O3 non-polymer 0.00 0.00 3M9 3MA C6H8N5 non-polymer 0.00 0.00 3MA 3MB C8H9N1O2 non-polymer 0.00 0.00 3MB 3MC C5H8N3O1 non-polymer 0.00 0.00 3MC 3MD C5H9N1O4 L-peptide linking 0.68 1.00 3MD 3ME C16H28N3O10P1 RNA linking 1.00 0.87 3ME 3MF C7H14O6 saccharide 0.99 0.92 3MF 3MG C7H14O6 D-saccharide 1.00 0.92 3MG 3MH C6H7N1O1S1 non-polymer 0.00 0.00 3MH 3MI C14Cl2H7N1O3 non-polymer 0.00 0.00 3MI 3MJ C18H28O4 non-polymer 0.00 0.00 3MJ 3ML C7H8O4 non-polymer 0.00 0.00 3ML 3MM C8H18N1O2S1 D-peptide NH3 amino terminus 0.59 0.67 3MM 3MN C28H25N5O2 non-polymer 1.00 0.31 3MN 3MO C4H7N1O2 non-polymer 0.00 0.00 3MO 3MP C6H7N1 non-polymer 0.00 0.00 3MP 3MQ C8H7N1O2S1 non-polymer 0.00 0.00 3MQ 3MR C31H42N4O2 non-polymer 0.00 0.00 3MR 3MS C20H23N5O6S2 non-polymer 0.00 0.00 3MS 3MT C4H6N1S1 non-polymer 0.00 0.00 3MT 3MU C10H15N2O9P1 RNA linking 1.00 0.45 3MU 3MV C11H24 non-polymer 0.00 0.00 3MV 3MW C18H17N5O3 non-polymer 0.25 0.38 3MW 3MX C16H24O4 non-polymer 0.00 0.00 3MX 3MY C9Cl1H10N1O3 D-peptide linking 0.00 0.00 3MY 3MZ C15H22O4 non-polymer 0.00 0.00 3MZ 3N0 C12H16O4 non-polymer 0.00 0.00 3N0 3N1 C11Cl1H9O2S1 non-polymer 0.00 0.00 3N1 3N2 C10Cl1H7O2S1 non-polymer 0.00 0.00 3N2 3N3 C17H15N1O4 non-polymer 0.00 0.00 3N3 3N4 C14H10O2S1 non-polymer 0.00 0.00 3N4 3N5 C17H15N1O4 non-polymer 0.00 0.00 3N5 3N6 Br2C38H47N9O5 non-polymer 0.00 0.00 3N6 3N7 C18H18N8 non-polymer 0.00 0.00 3N7 3N8 C6F1H5O2 non-polymer 0.00 0.00 3N8 3N9 C6F1H5O4 non-polymer 0.00 0.00 3N9 3NA C18F3H11N2O2S1 non-polymer 0.00 0.00 3NA 3NB C14H20O4 non-polymer 0.00 0.00 3NB 3NC C16Cl1H18N3O2 non-polymer 0.00 0.00 3NC 3ND C20Cl2H17N3O2 non-polymer 0.00 0.00 3ND 3NE C14F6H7N3O1 non-polymer 0.00 0.00 3NE 3NF C11H13N1O4 L-peptide linking 0.50 0.62 3NF 3NG C19Cl1H12N3O2 non-polymer 0.00 0.00 3NG 3NH C36H43N3O7 non-polymer 0.00 0.00 3NH 3NI Ni1 non-polymer 0.00 0.00 3NI 3NJ C6F1H3O3 non-polymer 0.00 0.00 3NJ 3NK C15H14O3 non-polymer 0.56 0.33 3NK 3NL C24Cl1H23N8O2 non-polymer 0.00 0.00 3NL 3NM C7H10N1O6P1S1 non-polymer 0.00 0.00 3NM 3NP C3H5N1O4 non-polymer 0.00 0.00 3NP 3NQ C24H32N2O2 non-polymer 0.00 0.00 3NQ 3NR C25H30N2O1 non-polymer 0.00 0.00 3NR 3NS C21H30N4O5 peptide-like 0.72 0.27 3NS 3NT C7H7N1O2 non-polymer 0.00 0.00 3NT 3NU C16H24N6 non-polymer 0.00 0.00 3NU 3NV C19Cl1H23N8 non-polymer 0.00 0.00 3NV 3NW C24H34N8O1S1 non-polymer 0.36 0.12 3NW 3NX C25H32N2O2 non-polymer 0.00 0.00 3NX 3NY C6H4N4O2 non-polymer 0.00 0.00 3NY 3NZ C20H25N7O5 non-polymer 1.00 0.31 3NZ 3O0 C16Cl1H11N4O3S1 non-polymer 1.00 0.40 3O0 3O1 C15H24N2O5S1 non-polymer 0.56 0.22 3O1 3O2 C26F3H31N6O7S1 non-polymer 0.50 0.12 3O2 3O3 C9H16N2O6 L-peptide linking 0.68 1.00 3O3 3O4 C22H23N5O2 non-polymer 0.00 0.00 3O4 3O5 C10H16N2O3S1 non-polymer 0.00 0.00 3O5 3O6 C18F5H13N4O1 non-polymer 0.00 0.00 3O6 3O7 C14H8O6 non-polymer 0.00 0.00 3O7 3O8 C18H19N3O5 non-polymer 0.00 0.00 3O8 3OA C22H26N2O8 non-polymer 0.61 0.44 3OA 3OB C25Cl1H23N4O3 non-polymer 1.00 0.33 3OB 3OC C7H10O3 non-polymer 0.00 0.00 3OC 3OD C17H25N5O15P2 non-polymer 1.00 0.59 3OD 3OE C34H37N3O5S1 peptide-like 0.50 0.23 3OE 3OF Fe1H4O2 non-polymer 0.00 0.00 3OF 3OG C18H32O4 non-polymer 0.60 0.32 3OG 3OH C3H6O3 non-polymer 1.00 1.00 3OH 3OJ B1C15H9N2O3 non-polymer 0.00 0.00 3OJ 3OK C18H20N4O4 non-polymer 0.00 0.00 3OK 3OL C8H16O1 non-polymer 0.56 0.67 3OL 3OM C8H16O1 non-polymer 0.56 0.67 3OM 3ON C30H42O2 non-polymer 0.62 0.41 3ON 3OO Br1C14H21N2O1 non-polymer 0.39 0.61 3OO 3OP C10H8N2O1 non-polymer 0.00 0.00 3OP 3OQ C18F4H15N1O3S1 non-polymer 0.33 0.26 3OQ 3OR C20F3H19I1N3O5 non-polymer 0.84 0.22 3OR 3OS C20F3H18N3O5 non-polymer 0.84 0.42 3OS 3OT C29H31N3O3 non-polymer 0.00 0.00 3OT 3OU C34H36N6O5 non-polymer 0.20 0.07 3OU 3OV C34F1H33N6O5 non-polymer 0.20 0.07 3OV 3OW C37H48N4O7S1 non-polymer 0.20 0.08 3OW 3OX C37H48N4O7S1 non-polymer 0.20 0.08 3OX 3OY Br1C29H34N5O7S1 non-polymer 0.30 0.12 3OY 3OZ C25Cl2H22N2O4 non-polymer 0.00 0.00 3OZ 3P0 C36F1H38N7O3 non-polymer 0.38 0.04 3P0 3P1 C20H21N7O4 non-polymer 1.00 0.32 3P1 3P2 C21H23N5O1 non-polymer 0.39 0.19 3P2 3P3 C21H18N2O4 non-polymer 0.50 0.37 3P3 3P4 C23H29N6O3 non-polymer 0.62 0.25 3P4 3P5 Br1C22H26N1O4S1 non-polymer 0.00 0.00 3P5 3P6 C25F2H27N5O3S1 non-polymer 0.00 0.00 3P6 3P7 C18H18N2O9 non-polymer 0.74 0.62 3P7 3P8 C1H6N1 non-polymer 0.00 0.00 3P8 3P9 C9H20O4 non-polymer 0.83 1.00 3P9 3PA C8H14O2 non-polymer 0.00 0.00 3PA 3PB C4H9O6P1 non-polymer 0.81 0.64 3PB 3PC C21H42N1O7P1 non-polymer 0.65 0.63 3PC 3PD C10H14N5O7P1 non-polymer 1.00 0.39 3PD 3PE C41H82N1O8P1 non-polymer 0.98 0.37 3PE 3PF C9H10N2O1 non-polymer 0.00 0.00 3PF 3PG C3H7O7P1 non-polymer 0.91 0.64 3PG 3PH C39H77O8P1 non-polymer 0.98 0.29 3PH 3PI C17H35O19P3 non-polymer 1.00 0.67 3PI 3PJ C28F3H33N2O3 non-polymer 0.33 0.19 3PJ 3PK C14H26O4 non-polymer 0.83 0.72 3PK 3PL C9H10O1 non-polymer 0.00 0.00 3PL 3PM C7H15N1O3 L-peptide linking 0.83 1.00 3PM 3PO H5O10P3 non-polymer 0.00 0.00 3PO 3PP C3H7O5P1 non-polymer 0.00 0.00 3PP 3PQ C13Cl1H14N3O4 non-polymer 1.00 0.48 3PQ 3PS C16H15N5O2 non-polymer 0.00 0.00 3PS 3PT C17H33O19P3 non-polymer 1.00 0.67 3PT 3PU C16Cl1H11N4O4S1 non-polymer 0.00 0.00 3PU 3PV C21H37N1O16 non-polymer 1.00 0.97 3PV 3PW C17Cl1H14N5O4 non-polymer 0.00 0.00 3PW 3PX C8H15N1O3 L-peptide linking 0.58 0.33 3PX 3PY C3H4O4 non-polymer 0.97 1.00 3PY 3PZ C29H29N5O3S1 non-polymer 0.00 0.00 3PZ 3Q0 C13H15N7 non-polymer 0.00 0.00 3Q0 3Q1 C15H17N7O1 non-polymer 0.00 0.00 3Q1 3Q2 C16H19N7O1 non-polymer 0.00 0.00 3Q2 3Q3 C22H22N8O2 non-polymer 0.00 0.00 3Q3 3Q4 C24H26N8O1 non-polymer 0.00 0.00 3Q4 3Q5 C22H30N8O2 non-polymer 0.56 0.16 3Q5 3Q6 C22H30N8O2 non-polymer 0.56 0.16 3Q6 3Q7 As1C5H11O2 non-polymer 0.00 0.00 3Q7 3Q8 C33H40N4O6 non-polymer 0.50 0.05 3Q8 3QA C17H27N5O3S1 non-polymer 0.69 0.23 3QA 3QB C18H34N2O6S1 non-polymer 1.00 0.44 3QB 3QC C20H24N2O2 non-polymer 0.20 0.12 3QC 3QD B1C2H7O2 non-polymer 0.00 0.00 3QD 3QE C12H21N5O9P2 non-polymer 0.67 0.36 3QE 3QF C15H27N7O8P2 non-polymer 0.00 0.00 3QF 3QG C15H29N6O10P3 non-polymer 0.00 0.00 3QG 3QH C20H18N4O1 non-polymer 0.00 0.00 3QH 3QI C14H13N3O1S2 non-polymer 0.00 0.00 3QI 3QJ B1C6H16O3 non-polymer 0.00 0.00 3QJ 3QK B1C8H20O3 non-polymer 0.00 0.00 3QK 3QL C16H26N2O10 non-polymer 1.00 1.00 3QL 3QM C9H11N1O1 non-polymer 0.00 0.00 3QM 3QN C15H23N2O7P1 L-peptide linking 0.00 0.00 3QN 3QO C12H11N1 non-polymer 0.00 0.00 3QO 3QP C13H16N1O9P1 peptide-like 0.86 0.38 3QP 3QQ C22F1H31N4O4S2 non-polymer 0.00 0.00 3QQ 3QR C16H18N4O9S1 non-polymer 1.00 0.40 3QR 3QS C22H28N6O1 non-polymer 0.00 0.00 3QS 3QT C20H16N6 non-polymer 0.00 0.00 3QT 3QU C12H10N2O2 non-polymer 0.00 0.00 3QU 3QV C10H5N1O3 non-polymer 0.00 0.00 3QV 3QW C23H28N8O1 non-polymer 0.36 0.12 3QW 3QX C14F1H17N4O1 non-polymer 0.00 0.00 3QX 3QY C20H22N8O1 non-polymer 0.00 0.00 3QY 3QZ C21H30O3 non-polymer 0.00 0.00 3QZ 3R0 C19H21N9O1 non-polymer 0.00 0.00 3R0 3R1 C20Cl2H20N6O2 non-polymer 0.50 0.17 3R1 3R2 C17H28N2O13P2 non-polymer 1.00 0.79 3R2 3R3 C5H14N1O13P3 non-polymer 1.00 0.45 3R3 3R4 C9Cl1F1H4O2S1 non-polymer 0.00 0.00 3R4 3R5 C14H13N1O3 non-polymer 0.00 0.00 3R5 3R6 C8H8O3S1 non-polymer 0.00 0.00 3R6 3R7 C15H13N1O4S1 non-polymer 0.38 0.10 3R7 3R9 C7H11N1O2S3 non-polymer 0.00 0.00 3R9 3RA C17H13N3O3 non-polymer 0.00 0.00 3RA 3RB C21H24O2 non-polymer 0.50 0.39 3RB 3RC C16H13N5 non-polymer 0.00 0.00 3RC 3RD C15H14N3O8P1 non-polymer 1.00 0.48 3RD 3RE C18H22N6O2 non-polymer 0.00 0.00 3RE 3RF C20H19N7 non-polymer 0.00 0.00 3RF 3RG C9H9N1O4 non-polymer 0.00 0.00 3RG 3RH C18H15N3 non-polymer 0.00 0.00 3RH 3RI C8H17N1O5 non-polymer 0.00 0.00 3RI 3RJ C22H20N8 non-polymer 0.00 0.00 3RJ 3RK C6H13N1O4 non-polymer 0.00 0.00 3RK 3RL C16H16O3 non-polymer 0.25 0.11 3RL 3RM Br1C14H19N6O1 non-polymer 0.00 0.00 3RM 3RN C6H8O2 non-polymer 0.00 0.00 3RN 3RO C13Cl1H11N2O4 non-polymer 1.00 0.65 3RO 3RP C12Cl2H11N3O1 non-polymer 0.00 0.00 3RP 3RQ C15Cl2H10N4O1 non-polymer 0.00 0.00 3RQ 3RR C16Cl2H12N4O1 non-polymer 0.00 0.00 3RR 3RS C27H33N3O2 non-polymer 0.00 0.00 3RS 3RT C24H29N7O2 non-polymer 0.00 0.00 3RT 3RU C19H25N3O1 non-polymer 0.00 0.00 3RU 3RV C21F1H13N2O3S1 non-polymer 0.00 0.00 3RV 3RW C21H22N8O1 non-polymer 0.36 0.13 3RW 3RX C22H38N2 non-polymer 0.38 0.33 3RX 3RY C21H16N2O3S1 non-polymer 0.00 0.00 3RY 3RZ C13H12N6O1 non-polymer 0.00 0.00 3RZ 3S0 C16H18N4O9S1 non-polymer 0.50 0.57 3S0 3S1 C16H13N1O2 non-polymer 0.00 0.00 3S1 3S2 C11H22N4O5S1 non-polymer 0.00 0.00 3S2 3S3 C16H20N3O5S1 non-polymer 0.00 0.00 3S3 3S4 C6H13O7P1 non-polymer 0.79 0.71 3S4 3S5 C3H9N3O3S1 non-polymer 0.00 0.00 3S5 3S6 C9H16O6 non-polymer 1.00 1.00 3S6 3S9 C10H10N2O2 non-polymer 0.33 0.71 3S9 3SA C19H33N1O13 saccharide 1.00 0.67 3SA 3SB C16H17N3O3 non-polymer 0.00 0.00 3SB 3SC C19Cl2H12N6S1 non-polymer 0.00 0.00 3SC 3SD C32H41N5O5 peptide-like 0.38 0.05 3SD 3SE C14F3H15N4O2S1 non-polymer 0.00 0.00 3SE 3SF C15F3H17N4O2S1 non-polymer 0.00 0.00 3SF 3SG C28F2H22N4O4 non-polymer 0.97 0.11 3SG 3SH C19Cl1H17N2O2S1 non-polymer 0.75 0.20 3SH 3SJ C26H22N4O2 non-polymer 0.00 0.00 3SJ 3SK C8H8O2 non-polymer 0.00 0.00 3SK 3SL C3H6O6S1 non-polymer 0.00 0.00 3SL 3SM C19H21N7O2 non-polymer 0.64 0.21 3SM 3SN C23F1H28N3O3S1 non-polymer 0.00 0.00 3SN 3SO C19H19N2O6P1 non-polymer 0.38 0.18 3SO 3SP C22H33N5O4S1 peptide-like 0.00 0.00 3SP 3SQ C9F1H7N2 non-polymer 0.00 0.00 3SQ 3SR C22H30N6O4 non-polymer 0.00 0.00 3SR 3SS C3H6O2S2 non-polymer 0.00 0.00 3SS 3ST C19H30N6O3 non-polymer 0.00 0.00 3ST 3SU Br1C11H8N1O2S1 non-polymer 0.93 0.25 3SU 3SV C23H40O2 non-polymer 0.00 0.00 3SV 3SW C24H34O2 non-polymer 0.50 0.35 3SW 3SX C24H33N3O3S1 non-polymer 0.00 0.00 3SX 3SY C5H12O4 non-polymer 0.80 1.00 3SY 3SZ C19H23N3O6S2 non-polymer 0.00 0.00 3SZ 3T0 Br1C19H16N1O3S1 non-polymer 0.00 0.00 3T0 3T1 C26Cl1H23N2O3 non-polymer 0.00 0.00 3T1 3T2 C24H36O2 non-polymer 0.50 0.35 3T2 3T3 C24F1H22N4O3Ru1S4 non-polymer 0.00 0.00 3T3 3T4 C17Cl1H12N3O6 non-polymer 0.00 0.00 3T4 3T5 C22F1H30O8P1 non-polymer 0.00 0.00 3T5 3T7 C20H24N10O7S2 non-polymer 1.00 0.31 3T7 3T8 C28Cl1H29N4O4S1 non-polymer 0.50 0.21 3T8 3T9 C19H15N3O2 non-polymer 0.00 0.00 3T9 3TA C23Cl1H25N6S1 non-polymer 0.20 0.10 3TA 3TB C24H38N7O7P1 non-polymer 0.43 0.13 3TB 3TC C8H11N3O3S1 non-polymer 0.00 0.00 3TC 3TD C10H15N2O9P1 RNA linking 1.00 0.77 3TD 3TE C22H20N4O1S2 non-polymer 0.00 0.00 3TE 3TF C43H80O10 non-polymer 1.00 0.58 3TF 3TG C19H18N2O1 non-polymer 0.00 0.00 3TG 3TH C16Cl1H12N3O2S1 non-polymer 0.00 0.00 3TH 3TI C17H13N1O2 non-polymer 0.00 0.00 3TI 3TJ C9F1H11N2O2S1 non-polymer 0.00 0.00 3TJ 3TK C18H18N4O1S2 non-polymer 0.00 0.00 3TK 3TL C50H64N6O10 peptide-like 0.50 0.76 3TL 3TN C24H28O4 non-polymer 0.58 0.18 3TN 3TO C20H23N3O1 non-polymer 0.00 0.00 3TO 3TP C17H22N4O4S1 non-polymer 0.00 0.00 3TP 3TQ C24H29N3O3S1 non-polymer 0.00 0.00 3TQ 3TR C2H4N4 non-polymer 0.00 0.00 3TR 3TS C30Cl1H50N5O14 non-polymer 1.00 0.84 3TS 3TT C8H15N4O11P3S1 non-polymer 0.00 0.00 3TT 3TU C24H21N5O6S1 non-polymer 0.68 0.28 3TU 3TV C9F4H9N1O2S2 non-polymer 0.00 0.00 3TV 3TW C20H18N4O3 non-polymer 0.75 0.19 3TW 3TX C17H12N4O1 non-polymer 0.00 0.00 3TX 3TY C16H17N3O4 L-peptide linking 0.00 0.00 3TY 3TZ C23H21N5O6S1 non-polymer 0.68 0.34 3TZ 3U1 C24F2H21N5O1 non-polymer 0.00 0.00 3U1 3U2 C14H19N1O4 non-polymer 1.00 0.58 3U2 3U3 C9H17N1O4 non-polymer 1.00 0.79 3U3 3U4 C7F1H5O2 non-polymer 0.00 0.00 3U4 3U5 C19H13N5S1 non-polymer 0.00 0.00 3U5 3U6 C20H20N6S1 non-polymer 0.00 0.00 3U6 3U7 C16Cl2H16N2O4 non-polymer 0.81 0.29 3U7 3U8 C16Cl1H17N2O4 non-polymer 0.81 0.30 3U8 3U9 C17F1H18N5O2 non-polymer 0.00 0.00 3U9 3UA C15F4H20N2O15P2 non-polymer 1.00 0.53 3UA 3UB C13H20N1O5P1 non-polymer 0.58 0.20 3UB 3UC C15F4H20N2O15P2 non-polymer 1.00 0.53 3UC 3UD C37Cl2F1H41N2O7S1 non-polymer 0.38 0.04 3UD 3UE C25H25N3O3 non-polymer 0.00 0.00 3UE 3UF C8H11N1O3S2 non-polymer 0.00 0.00 3UF 3UG C11F4H12N2O2S1 non-polymer 0.00 0.00 3UG 3UH C22H18N2O6 non-polymer 0.00 0.00 3UH 3UJ C36H42N6O1 non-polymer 0.00 0.00 3UJ 3UK C17H19N6O8P1 non-polymer 1.00 0.44 3UK 3UL C18F3H18N3O1 non-polymer 0.00 0.00 3UL 3UM C20H30O4 non-polymer 0.38 0.08 3UM 3UN C21H32N2O9S1 non-polymer 0.90 0.61 3UN 3UO C16H16N4O3 non-polymer 0.00 0.00 3UO 3UP C21H18N4O2 non-polymer 0.00 0.00 3UP 3UQ C15H13Ru1 non-polymer 0.00 0.00 3UQ 3UR C22F2H20N6 non-polymer 0.00 0.00 3UR 3US C33H51N9O5 non-polymer 1.00 0.36 3US 3UT C24F2H18N4O3 non-polymer 0.00 0.00 3UT 3UW C20F1H19N4O3 non-polymer 1.00 0.46 3UW 3UX C21F1H21N4O3 non-polymer 1.00 0.45 3UX 3UY C20F1H20N3O3 non-polymer 0.00 0.00 3UY 3UZ C23Cl1H22N1O4 non-polymer 0.50 0.21 3UZ 3V0 C17F1H15I1N3O5 non-polymer 0.98 0.33 3V0 3V1 C24Cl1H19N4O4S1 non-polymer 0.40 0.26 3V1 3V2 C3H10N1O3P1 non-polymer 0.00 0.00 3V2 3V3 C11H23N1O6 non-polymer 0.98 1.00 3V3 3V4 C10H16 non-polymer 0.00 0.00 3V4 3V5 C11H19N3O4S1 non-polymer 0.46 0.47 3V5 3V6 C15Cl2H22N2O5 non-polymer 1.00 0.88 3V6 3V7 C6H11N3O2 non-polymer 0.00 0.00 3V7 3V8 C10H14N4O4 non-polymer 0.00 0.00 3V8 3V9 C17H25N2O9P1 non-polymer 0.62 0.34 3V9 3VB C4H10O4 non-polymer 0.97 1.00 3VB 3VC C21F1H16N7 non-polymer 0.00 0.00 3VC 3VD C22Cl1F1H16N6 non-polymer 0.00 0.00 3VD 3VE C22Cl1H18N7 non-polymer 0.00 0.00 3VE 3VF C24Cl2H20N4O3 non-polymer 0.38 0.24 3VF 3VH C35Cl1H38N5O7 peptide-like 0.00 0.00 3VH 3VJ C22Cl2H23N3O4 non-polymer 0.38 0.26 3VJ 3VK C22Cl2H34N4O5S1 non-polymer 0.38 0.06 3VK 3VL C30H35N1O10 non-polymer 1.00 0.41 3VL 3VM C28H32N6O1 non-polymer 0.00 0.00 3VM 3VN C14H30N4O4 non-polymer 0.93 0.73 3VN 3VO C13F2H14N2O1S1 non-polymer 0.00 0.00 3VO 3VP C14F3H15N2O1S1 non-polymer 0.00 0.00 3VP 3VQ C10H8N2O1S1 non-polymer 0.00 0.00 3VQ 3VR C12H15N3 non-polymer 0.00 0.00 3VR 3VS C10H9N3O1 non-polymer 0.00 0.00 3VS 3VT B1C15H15N2O5 non-polymer 0.00 0.00 3VT 3VU B1C13H14N3O5S1 non-polymer 0.00 0.00 3VU 3VV C39H68N7O17P3S1 non-polymer 1.00 0.43 3VV 3VW C12H15N1O1 non-polymer 0.00 0.00 3VW 3VX C11H9N1O2 non-polymer 0.00 0.00 3VX 3VY C11H11N1O2 non-polymer 0.00 0.00 3VY 3VZ C26H27N3O2 non-polymer 0.00 0.00 3VZ 3W1 C11Cl1H12N3 non-polymer 0.00 0.00 3W1 3W2 C22H25N5O3 non-polymer 0.39 0.17 3W2 3W3 C9H11N1O3S1 non-polymer 0.62 0.29 3W3 3W4 C27H30N2O5S1 non-polymer 0.00 0.06 3W4 3W5 C27H30N2O5S1 non-polymer 0.00 0.06 3W5 3W6 C9H13N1O3S1 non-polymer 0.58 0.29 3W6 3W7 C22H25N5O2 non-polymer 0.36 0.14 3W7 3W8 C8H11N1O3S1 non-polymer 0.00 0.00 3W8 3W9 C11H15N1O1 non-polymer 0.00 0.00 3W9 3WA C7H6N4O1 non-polymer 0.00 0.00 3WA 3WB C40H26N12Ru1 non-polymer 0.00 0.00 3WB 3WC C14H17N3 non-polymer 0.00 0.00 3WC 3WD C39H62N6O6S1 peptide-like 0.47 0.46 3WD 3WE Br1C15H14N5O1 non-polymer 0.00 0.00 3WE 3WF C20H24O2 non-polymer 0.00 0.00 3WF 3WG C10Cl9H5 non-polymer 0.00 0.00 3WG 3WH C20H23I1N6O1 non-polymer 0.00 0.00 3WH 3WJ C13H11N5O1 non-polymer 0.00 0.00 3WJ 3WK C13H11N5O1 non-polymer 0.00 0.00 3WK 3WL C15H10O5 non-polymer 0.00 0.00 3WL 3WM C39H76O5 non-polymer 1.00 0.59 3WM 3WN C13H11N5O1 non-polymer 0.00 0.00 3WN 3WO C13H11N5O1 non-polymer 0.00 0.00 3WO 3WP C11F2H12N2S1 non-polymer 0.00 0.00 3WP 3WQ C20H21N1O4S1 non-polymer 0.62 0.27 3WQ 3WR C21F4H14N6O2 non-polymer 0.00 0.00 3WR 3WS C5H11N1O2 L-peptide linking 0.93 0.50 3WS 3WT C10H21N1O3 peptide-like 0.59 0.86 3WT 3WU C9H17N1O3 peptide-like 0.65 0.62 3WU 3WV C38H63N5O8 peptide-like 0.48 0.82 3WV 3WW C11H12N2S1 peptide-like 0.00 0.00 3WW 3WX C6H11N1O2 peptide-like 0.00 0.00 3WX 3WY C39H63N5O8 peptide-like 0.48 0.54 3WY 3WZ C37H61N5O8 peptide-like 0.48 0.82 3WZ 3X0 C18Cl1H17N4 non-polymer 0.00 0.00 3X0 3X1 C12H22O2 non-polymer 0.56 0.50 3X1 3X2 C17Cl1H12N3O2S1 non-polymer 0.00 0.00 3X2 3X3 C18H14N4O2 non-polymer 0.00 0.00 3X3 3X4 C20H26N4O6 non-polymer 0.40 0.23 3X4 3X5 C29H34N4O2 non-polymer 0.00 0.00 3X5 3X6 C21Cl1H16N3O4 non-polymer 0.17 0.10 3X6 3X7 C23H21N5 non-polymer 0.00 0.00 3X7 3X8 C18H20O6 non-polymer 1.00 0.50 3X8 3X9 C12H22N2O3S2 L-peptide linking 0.00 0.00 3X9 3XA C21F3H27N4O1 non-polymer 0.44 0.21 3XA 3XB C21F3H27N4O1 non-polymer 0.44 0.21 3XB 3XC C21F3H27N4O1 non-polymer 0.44 0.21 3XC 3XD C21F2H28N4O1 non-polymer 0.44 0.21 3XD 3XE C21F2H32N4O1 non-polymer 0.44 0.21 3XE 3XF C20F2H33N5O1 non-polymer 0.44 0.21 3XF 3XG C21H25N3O3S2 non-polymer 0.69 0.21 3XG 3XH C9H9N1O4 L-peptide linking 0.81 0.50 3XH 3XJ C20Cl1H20N1O9 non-polymer 1.00 0.39 3XJ 3XK C19H13N5O1 non-polymer 0.00 0.00 3XK 3XL C17H10N4O1 non-polymer 0.00 0.00 3XL 3XM C17H19N1O4 non-polymer 1.00 0.64 3XM 3XN C20H20N2O8 non-polymer 1.00 0.40 3XN 3XO C21Cl1H26N3O8 non-polymer 1.00 0.36 3XO 3XQ C21H42O4 non-polymer 0.98 0.40 3XQ 3XR C8H15N2O5 non-polymer 1.00 0.80 3XR 3XS C18H15N3O3S1 non-polymer 0.00 0.00 3XS 3XT C16F1H21N4O2 non-polymer 0.00 0.00 3XT 3XU C47H94N2O6P1 non-polymer 0.57 0.38 3XU 3XV C20H25N5O3 non-polymer 0.00 0.00 3XV 3XW C28F3H27N8S1 non-polymer 0.00 0.00 3XW 3XX C7H8O3 non-polymer 0.50 0.70 3XX 3XY C23F3H21N6S1 non-polymer 0.00 0.00 3XY 3XZ C20H25N10O8P1 non-polymer 1.00 0.49 3XZ 3Y0 C28H49N5O13P2S1 non-polymer 1.00 0.45 3Y0 3Y1 Br1C16H19N4O2 non-polymer 0.00 0.00 3Y1 3Y2 C16Cl1H21N4O2 non-polymer 0.00 0.00 3Y2 3Y3 C27Cl2H26N8O1 non-polymer 0.00 0.00 3Y3 3Y4 C29Cl2H26N8O3 non-polymer 0.00 0.00 3Y4 3Y5 C27Cl2H23N11O1 non-polymer 0.00 0.00 3Y5 3Y6 B1C24H25N4O9 non-polymer 0.00 0.00 3Y6 3Y7 C10H12N4O2 non-polymer 0.00 0.00 3Y7 3Y8 C45H60N4O16 non-polymer 0.44 0.14 3Y8 3Y9 C22H25N5O6 non-polymer 0.68 0.36 3Y9 3YA C22H24N4O6S1 non-polymer 0.68 0.36 3YA 3YB C20H23N5O6S1 non-polymer 0.68 0.38 3YB 3YC C20H23N5O6S1 non-polymer 0.68 0.38 3YC 3YD C18H25N5O6 non-polymer 0.68 0.34 3YD 3YE C19H27N5O6 non-polymer 0.68 0.33 3YE 3YF C19H21N5O6S1 non-polymer 0.68 0.39 3YF 3YG C19H21N5O6S1 non-polymer 0.68 0.39 3YG 3YH C23H19N5O4S1 non-polymer 0.00 0.00 3YH 3YI C38H47N1O13 non-polymer 0.00 0.00 3YI 3YM C10H13N1O4 L-peptide linking 0.00 0.00 3YM 3YN C16H24N2O14P2 non-polymer 1.00 0.79 3YN 3YO C27F1H24N7O2S1 non-polymer 0.00 0.00 3YO 3YP C8H15N1O2 non-polymer 0.00 0.00 3YP 3YQ C7H12N2O6P2 non-polymer 0.00 0.00 3YQ 3YR C19F2H16N4O2S1 non-polymer 0.00 0.00 3YR 3YS C18F2H16N4O2S1 non-polymer 0.00 0.00 3YS 3YT C19H23N9O1 non-polymer 1.00 0.38 3YT 3YU C28Cl1H23N10O1 non-polymer 0.29 0.12 3YU 3YV C18H22N10O1 non-polymer 1.00 0.38 3YV 3YW C11H21N1O8 non-polymer 1.00 1.00 3YW 3YX C18H22N8O1 non-polymer 1.00 0.41 3YX 3YY C18F1H13N4O2 non-polymer 0.00 0.00 3YY 3YZ C26H30N6O3 non-polymer 0.00 0.00 3YZ 3Z0 C24H28N6O2 non-polymer 0.00 0.00 3Z0 3Z1 C25F3H22N5O2 non-polymer 0.00 0.00 3Z1 3Z2 C32H26N6O5 non-polymer 0.00 0.00 3Z2 3Z3 C33F1H27N6O2 non-polymer 0.00 0.00 3Z3 3Z4 C32H27N5O2S1 non-polymer 0.00 0.00 3Z4 3Z5 C34H28N4O2 non-polymer 0.00 0.00 3Z5 3Z6 C25F4H21N5O1 non-polymer 0.00 0.00 3Z6 3Z7 Br1C7H7O2 non-polymer 0.00 0.00 3Z7 3Z8 C9Cl1H8N1O1 non-polymer 0.00 0.00 3Z8 3Z9 C34H40N4O8S1 non-polymer 0.00 0.00 3Z9 3ZA C9H16N2O6 non-polymer 0.60 0.94 3ZA 3ZB C9Cl1H6N1O2 non-polymer 0.00 0.00 3ZB 3ZC C26H25N3O4 non-polymer 0.50 0.12 3ZC 3ZD C27H31N5O4S1 non-polymer 0.00 0.00 3ZD 3ZE C11H15N6O6P1 non-polymer 0.00 0.00 3ZE 3ZF C11H15N6O5P1 non-polymer 0.00 0.00 3ZF 3ZG C16H18N4O2 non-polymer 0.00 0.00 3ZG 3ZH C31H51N3O4 L-peptide linking 0.00 0.00 3ZH 3ZJ C27H39N3O6S1 non-polymer 0.83 0.30 3ZJ 3ZK C27H39N3O6S1 non-polymer 0.83 0.30 3ZK 3ZL C11H19N3O3 L-peptide linking 0.38 0.18 3ZL 3ZM C22Cl1H25N4O2S1 non-polymer 0.00 0.00 3ZM 3ZN C28H39N3O6 non-polymer 0.83 0.30 3ZN 3ZO C10H13N4O8P1 DNA linking 1.00 0.39 3ZO 3ZP C45H75N1O17 non-polymer 1.00 0.51 3ZP 3ZQ C6H12O2 non-polymer 0.00 0.00 3ZQ 3ZR C28Cl1H39N3O8P1 non-polymer 0.64 0.63 3ZR 3ZS C5H8O1 non-polymer 0.00 0.00 3ZS 3ZU C15H12N2O3 non-polymer 0.00 0.00 3ZU 3ZV C16H13N1O3 non-polymer 0.00 0.00 3ZV 3ZW C14H25N1O11 saccharide 1.00 1.00 3ZW 3ZZ C34H32In1N4O4 non-polymer 0.38 0.09 3ZZ 400 C27H30N6O2S1 non-polymer 0.00 0.00 400 401 C21F4H21N1O4 non-polymer 0.00 0.00 401 402 C7Fe2H5N3O3S2 non-polymer 0.00 0.00 402 403 C20Cl1H24N3O4S1 non-polymer 0.76 0.34 403 404 C19H26N6O1 non-polymer 0.50 0.23 404 405 C16F3H16N1O1 non-polymer 0.00 0.00 405 406 C30F3H31N8O1 non-polymer 0.20 0.07 406 407 C10F1H13N2O4S1 non-polymer 0.38 0.33 407 408 C16F3H16N1O1 non-polymer 0.00 0.00 408 409 C18H19N5O4S1 non-polymer 0.00 0.00 409 40A C12H17N7O3 peptide-like 0.54 0.41 40A 40B C19H18O7P2 non-polymer 0.00 0.00 40B 40C C11H17N5O4 peptide-like 0.54 0.45 40C 40D Br1C17F3H17N1O1 non-polymer 0.00 0.00 40D 40E C5H9N1O3 non-polymer 0.64 1.00 40E 40F C8H11N1O4 non-polymer 0.00 0.00 40F 40G C12H17N7O4 peptide-like 0.54 0.39 40G 40H C10H13N1O4 non-polymer 0.00 0.00 40H 40J C12Cl3H19O8 non-polymer 1.00 0.87 40J 40K C16Cl1H11N4O2S2 non-polymer 0.00 0.00 40K 40L C22F1H18N7O1 non-polymer 0.00 0.00 40L 40M C26Cl2H24N4O3 non-polymer 0.00 0.00 40M 40N C16F1H10N1O3 non-polymer 0.00 0.00 40N 40O C6H12O2 non-polymer 0.00 0.00 40O 40P C41H61N1O9 non-polymer 0.00 0.00 40P 40Q C14H16N6O3 non-polymer 0.00 0.00 40Q 40R C6H11N3 non-polymer 0.00 0.00 40R 40S C6H14O2 non-polymer 0.00 0.00 40S 40T C12H18N4O5 peptide-like 1.00 0.86 40T 40U C23Cl1H33N2O3 non-polymer 0.00 0.00 40U 40V C28H32N4O5 non-polymer 0.61 0.19 40V 40W C18H20N2O2 non-polymer 0.00 0.00 40W 40X C23Cl1H27N2O3 non-polymer 0.00 0.00 40X 40Y C20H22N2O3 non-polymer 0.00 0.00 40Y 40Z C25Cl1H26N3O3 non-polymer 0.00 0.00 40Z 410 Br1C26H24N1O6S1 non-polymer 0.00 0.00 410 411 Br1C26H22N5O2 non-polymer 0.00 0.00 411 412 B1C12H18N3O3 non-polymer 0.00 0.00 412 413 C31H30N4O5 non-polymer 0.00 0.00 413 414 C24H31N4O7P1 non-polymer 0.41 0.58 414 415 C18Cl1H22N3O2 non-polymer 0.00 0.00 415 416 C15Cl1F3H14O3 non-polymer 0.38 0.09 416 417 C18F6H19N5 non-polymer 0.00 0.00 417 418 C34H35N3O12 non-polymer 0.97 0.16 418 419 C31H42N4O3 non-polymer 0.45 0.29 419 41A C13H18N2O2S1 non-polymer 0.00 0.00 41A 41B C22Cl1F1H22N4O3 non-polymer 0.00 0.00 41B 41D C10H15N1O4S1 non-polymer 0.00 0.00 41D 41E C22H26N2O4S1 non-polymer 0.62 0.10 41E 41F C17H17N5O1S1 non-polymer 0.00 0.00 41F 41G C15H14N5O5 non-polymer 0.00 0.00 41G 41H C10H13N1O2 L-peptide linking 0.40 0.77 41H 41I C17Cl1H12N3O3 non-polymer 1.00 0.46 41I 41J C42H63N1O7 non-polymer 1.00 0.30 41J 41K C6H9N1O4S1 non-polymer 0.00 0.00 41K 41L C15H13N3O1 non-polymer 0.00 0.00 41L 41M C16H29N5O3S1 non-polymer 0.00 0.00 41M 41N C20H20N2O4 non-polymer 0.62 0.12 41N 41O C20Cl1H17N2O2 non-polymer 0.00 0.00 41O 41P C28H28N4O8S2 non-polymer 0.00 0.00 41P 41Q C4H8N2O3 L-peptide linking 0.00 0.00 41Q 41R C16F1H25N2O4S1 non-polymer 0.42 0.33 41R 41S C16F1H25N2O5S1 non-polymer 0.42 0.32 41S 41T C17H28N2O5S1 non-polymer 0.45 0.56 41T 41U C17H21N1O2 non-polymer 0.00 0.00 41U 41V C26H44O3 non-polymer 0.55 0.21 41V 41W C26H44O3 non-polymer 0.55 0.21 41W 41X C19H23N1O3 non-polymer 0.00 0.00 41X 41Z C20H21N3O1 non-polymer 0.00 0.00 41Z 420 C16H20I1N3O3S1 non-polymer 0.20 0.12 420 421 C21H19N3O4 non-polymer 0.97 0.14 421 422 C23H24N6 non-polymer 0.00 0.00 422 423 C48H75N13O27 non-polymer 1.00 0.72 423 424 C25Cl2H25N3O4S1 non-polymer 0.00 0.00 424 425 C51H81N13O27 non-polymer 1.00 0.69 425 426 C23H23N3O2 non-polymer 0.00 0.00 426 427 B1C10H14N3O3 non-polymer 0.00 0.00 427 428 C9H11N3O1 non-polymer 0.00 0.00 428 429 C25H30N2O10 non-polymer 0.97 0.11 429 42A C8H5N3 non-polymer 0.00 0.00 42A 42B C4H9N1O3 non-polymer 0.00 0.00 42B 42C C7H9N5 non-polymer 0.20 0.25 42C 42D C11H19N1O10 non-polymer 1.00 0.82 42D 42E C8H12N3O6P1S1 non-polymer 0.00 0.00 42E 42F C16H20I1N1O2 non-polymer 0.50 0.35 42F 42G C21H29N3O5S1 non-polymer 0.58 0.30 42G 42H C26H53N1O7P1 non-polymer 1.00 0.69 42H 42J C8Cl2H9N1 non-polymer 0.00 0.00 42J 42K C14H11N7O3S1 non-polymer 0.00 0.00 42K 42L C16F1H20N1O2 non-polymer 0.50 0.35 42L 42M C14H14N2O7 non-polymer 0.00 0.00 42M 42O C22H19N1O3S1 non-polymer 0.00 0.00 42O 42P C21Cl1H26N5O4S1 non-polymer 1.00 0.47 42P 42Q C21F4H15N5O2 non-polymer 0.00 0.00 42Q 42R Br1C13H14N1O2 non-polymer 0.00 0.00 42R 42S C14F3H11N2O1 non-polymer 0.00 0.00 42S 42T C21Cl2F3H15N4O2 non-polymer 0.00 0.00 42T 42U C22F4H23N5 non-polymer 0.00 0.00 42U 42V C10H9N3O2S1 non-polymer 0.00 0.00 42V 42W C17H15N3O2S1 non-polymer 0.00 0.00 42W 42X C14H28N3O8P1 non-polymer 0.62 0.38 42X 42Y C6H11N1O4 non-polymer 0.83 1.00 42Y 42Z C10Cl2H7N3O3 non-polymer 0.81 0.39 42Z 430 C21F3H16N3O2S1 non-polymer 1.00 0.33 430 431 C16H12O2 non-polymer 0.00 0.00 431 432 C7H13N1O4 L-peptide linking 0.83 0.92 432 433 C28Cl3F1H28N2O4 non-polymer 0.81 0.18 433 434 C29Cl2H19N3O6S1 non-polymer 0.00 0.00 434 435 C19H18N4O3S1 non-polymer 0.00 0.00 435 436 C42F2H56N8O6 non-polymer 0.45 0.24 436 437 C25H26N4O2 non-polymer 0.38 0.06 437 438 C33F2H35N5O4 non-polymer 1.00 0.20 438 439 C25Cl1H26N3O3S1 non-polymer 0.20 0.09 439 43A C20H16N2O3 non-polymer 0.00 0.00 43A 43B C36H30N4O5S3 non-polymer 0.00 0.00 43B 43C C21H18N6 non-polymer 0.00 0.00 43C 43D C19H18N8 non-polymer 0.00 0.00 43D 43E C15Cl2H17N3O1S1 non-polymer 0.00 0.00 43E 43F C14Cl3H11O2 non-polymer 0.00 0.00 43F 43G C17H13N1O2 non-polymer 0.00 0.00 43G 43H B1C17H14N1O4 non-polymer 0.00 0.00 43H 43J C17H14N2O2 non-polymer 0.00 0.00 43J 43K C24F2H15N5O2 non-polymer 0.00 0.00 43K 43L Br2C16H13N5 non-polymer 0.00 0.00 43L 43M C7Cl1H7O1 non-polymer 0.00 0.00 43M 43N C32Cl1H33N4O5 non-polymer 1.00 0.21 43N 43O C14H18N2O3 non-polymer 0.64 0.32 43O 43P C14H14N4O2 non-polymer 0.00 0.00 43P 43Q C5H13O9P2 non-polymer 0.80 0.50 43Q 43R C14H16N4O2S1 non-polymer 0.00 0.00 43R 43S Br1C13H8N5O1 non-polymer 0.00 0.00 43S 43T C24F1H29N4O2 non-polymer 0.31 0.26 43T 43U Br1C12H10N5O1 non-polymer 0.00 0.00 43U 43V C25Cl2H20N2O3S2 non-polymer 0.00 0.00 43V 43W C4H8O7P2 non-polymer 0.50 0.31 43W 43X C8F1H11N3O6P1S1 non-polymer 1.00 0.40 43X 43Y C14H29N1O8P1 non-polymer 0.98 0.92 43Y 43Z C13Cl1F1H15N1O3 non-polymer 1.00 0.53 43Z 440 C13H16O3S2 non-polymer 0.50 0.28 440 442 Br2C23H23N1O5 non-polymer 0.00 0.00 442 443 C22Cl1H26N3O5S1 non-polymer 0.00 0.00 443 444 C17F9H12N1O3S1 non-polymer 0.21 0.23 444 445 C14H18N2O7 non-polymer 1.00 0.74 445 446 Br1C28H23N2O6 non-polymer 0.97 0.11 446 447 C29H31N5O4 non-polymer 0.00 0.00 447 448 C17F6H17N5O1 non-polymer 0.00 0.00 448 449 C8H16N1O2 non-polymer 0.00 0.00 449 44A C10H11N5O5 non-polymer 1.00 0.55 44A 44B C11F9H8N1O1 non-polymer 0.21 0.32 44B 44C C30H27N1O6 non-polymer 0.75 0.16 44C 44D C32H37N1O13 non-polymer 1.00 0.59 44D 44E C15H29O8P1 non-polymer 0.98 0.58 44E 44F C16Cl1H20N3O2S1 non-polymer 0.00 0.00 44F 44G C18H35O10P1 non-polymer 1.00 0.72 44G 44I C27Cl1H36N5O4S1 non-polymer 0.00 0.00 44I 44J C21H31N9O6S2 non-polymer 1.00 0.26 44J 44K C21H31N9O4S2 non-polymer 0.00 0.00 44K 44L C20F1H28N9O6S2 non-polymer 1.00 0.24 44L 44M C20H28N12O6S2 non-polymer 1.00 0.25 44M 44N C21H30N8O8S2 non-polymer 1.00 0.28 44N 44O C20H29N9O6S2 non-polymer 0.00 0.00 44O 44P C10H16N2O11P2 non-polymer 1.00 0.40 44P 44Q C20H29N9O6S2 non-polymer 0.00 0.00 44Q 44R C18H27N9O5S2 non-polymer 0.00 0.00 44R 44S C6H13O8P1 non-polymer 1.00 0.73 44S 44U C23H29N3O2 non-polymer 0.00 0.00 44U 44V C7H11N5O1 non-polymer 0.00 0.00 44V 44W C7H9N5O1 non-polymer 0.00 0.00 44W 44X C24F1H22N5O3 non-polymer 0.75 0.15 44X 44Z C31Cl1H33N4O5 non-polymer 0.58 0.10 44Z 450 C33H38N4O3 non-polymer 0.00 0.00 450 451 C22H27N1O7 non-polymer 0.00 0.00 451 452 C17Cl1F1H14N2O4 non-polymer 0.62 0.12 452 453 C26F1H22N7O3 non-polymer 0.00 0.00 453 454 C18H18N4 non-polymer 0.00 0.00 454 455 C23Cl1F1H21N5O5S1 non-polymer 0.00 0.00 455 456 C13H15N5O2S1 non-polymer 0.00 0.00 456 458 C16H20O3 non-polymer 0.00 0.00 458 459 C17H24O3 non-polymer 0.00 0.00 459 45A C11H16N5O6P1 RNA linking 1.00 0.43 45A 45B C31Cl1F1H29N7O3 non-polymer 1.00 0.19 45B 45C C6Cl2H4O2 non-polymer 0.00 0.00 45C 45D C40H52O2 non-polymer 0.38 0.19 45D 45E C22H26N2O5 non-polymer 0.00 0.00 45E 45F C8H11N1O3 non-polymer 0.50 0.25 45F 45H C40H52O2 non-polymer 0.38 0.19 45H 45I C15H16N2O6S2 non-polymer 0.00 0.00 45I 45J B1C6Cl1H6N2O1S1 non-polymer 0.00 0.00 45J 45K C18H13N3O3S2 non-polymer 0.00 0.00 45K 45L C8H10N2O1 non-polymer 0.00 0.00 45L 45M Br1C11H12N3O1 non-polymer 0.00 0.00 45M 45N C13H17N1O2 non-polymer 0.00 0.00 45N 45O C13H24N6 non-polymer 0.20 0.16 45O 45P C18Cl2H13N7O2 non-polymer 0.00 0.00 45P 45Q C23H28N6O1 non-polymer 0.00 0.00 45Q 45R C21H23N4O2 non-polymer 0.00 0.00 45R 45S C19Cl1H23N4O2 non-polymer 0.00 0.00 45S 45T C12H21N5O9P2 non-polymer 0.67 0.36 45T 45U C20H28N4O3 peptide-like 0.00 0.00 45U 45V C15H18N2O2 non-polymer 0.20 0.16 45V 45W C7H9N1O3 D-peptide linking 0.00 0.00 45W 45X C7H10N2 non-polymer 0.00 0.00 45X 45Y C8F1H9N2O1 non-polymer 0.00 0.00 45Y 45Z C20F1H9N4O6 non-polymer 0.00 0.00 45Z 460 C17H15N5 non-polymer 0.00 0.00 460 461 C20Cl1F1H23N3O3S2 non-polymer 0.35 0.23 461 462 C22Cl1H22N3O2S1 non-polymer 0.58 0.14 462 463 C9H12N2O1 non-polymer 0.00 0.00 463 464 C28H30N6O3 non-polymer 0.00 0.00 464 465 C13Cl1H10N5O2 non-polymer 0.00 0.00 465 467 C17Cl1F4H15N6O1 non-polymer 0.40 0.24 467 468 C18Cl1H23N2O2 non-polymer 0.00 0.00 468 469 C27Cl1F1H30N4O3 non-polymer 0.50 0.11 469 46A C24H27N7 non-polymer 0.00 0.00 46A 46B Br1C19H20N3O3 non-polymer 0.00 0.00 46B 46C C26Cl1H20N1O4 non-polymer 0.58 0.12 46C 46D C15H22O14 D-saccharide 1.00 1.00 46D 46E C33H66N1O8P1 non-polymer 0.98 0.44 46E 46F C24Cl1F3H23N5O5S1 non-polymer 0.00 0.00 46F 46G C22F2H17N5O2 non-polymer 0.38 0.06 46G 46H C11H20N2O1 non-polymer 0.00 0.00 46H 46J C11H20N2O1 non-polymer 0.00 0.00 46J 46K C18H14N4O4S2 non-polymer 0.00 0.00 46K 46L C8H10N2O2 non-polymer 0.20 0.25 46L 46M C9H14O8 D-saccharide 1.00 1.00 46M 46O C12H15N1O2 non-polymer 0.00 0.00 46O 46P C8H10N4S1 non-polymer 0.00 0.00 46P 46Q C9H20N2O1 non-polymer 0.42 0.25 46Q 46R C6F3H5N2O2 non-polymer 0.29 0.38 46R 46S C11H17N3 non-polymer 0.00 0.00 46S 46T C13H20N2 non-polymer 0.36 0.53 46T 46U C21H30N4O3 peptide-like 0.00 0.00 46U 46V Br1C8Cl1H8N2S1 non-polymer 0.00 0.00 46V 46W C7H15N3 non-polymer 0.00 0.00 46W 46X C8H11N5 non-polymer 0.00 0.00 46X 46Y C15H22N4O1 non-polymer 0.00 0.00 46Y 46Z C12F1H16O7P1 saccharide 1.00 0.38 46Z 470 C28H35N1 non-polymer 0.31 0.14 470 471 C35F3H36N3O4 non-polymer 0.38 0.11 471 472 C20H17N5O1 non-polymer 0.00 0.00 472 474 C22F2H30N6O2 non-polymer 0.20 0.09 474 475 C13H17N3O7 non-polymer 1.00 0.74 475 476 C11H20N1O6P2 non-polymer 0.00 0.00 476 477 C19F2H19N3O1S1 non-polymer 0.00 0.00 477 478 C25H35N3O6S1 non-polymer 0.00 0.00 478 479 C15H16N2O2S1 non-polymer 0.00 0.00 479 47A Br1C8H8N1O1 non-polymer 0.00 0.00 47A 47B C11F2H6N4 non-polymer 0.00 0.00 47B 47C C12H18N3O8P1 DNA linking 1.00 0.54 47C 47D C14Cl1H10N3O4S1 non-polymer 0.00 0.00 47D 47E C8Cl1H7O3 non-polymer 0.00 0.00 47E 47G C8H11N1O2 non-polymer 0.00 0.00 47G 47H C13H15N1O2 non-polymer 0.00 0.00 47H 47J C6H11N3 non-polymer 0.00 0.00 47J 47K C14H23N3O2 non-polymer 0.00 0.00 47K 47L C12H21N1O2 non-polymer 0.00 0.00 47L 47M C6F3H6N1O1 non-polymer 0.00 0.00 47M 47N C12H20O10 non-polymer 1.00 1.00 47N 47P C15H19N3O1 non-polymer 0.46 0.37 47P 47Q C13H12N4O1 non-polymer 0.00 0.00 47Q 47R C6H14N2 non-polymer 0.36 0.75 47R 47S C9H13N3O1 non-polymer 0.20 0.23 47S 47T C12H21N1O2 non-polymer 0.00 0.00 47T 47U C13H16N4O1 non-polymer 0.00 0.00 47U 47V C12H12N2O2 non-polymer 0.00 0.00 47V 47W C24H27N3O2 non-polymer 0.50 0.10 47W 47X C15H10O5 non-polymer 0.00 0.00 47X 47Y C13H20N4O1 non-polymer 0.20 0.17 47Y 480 C11H22O4 non-polymer 0.98 0.67 480 481 C35H37N7O2 non-polymer 0.38 0.05 481 482 C10H15N1O4 non-polymer 0.00 0.00 482 483 C12H19N3O1 non-polymer 0.00 0.00 483 484 C31H40O3 non-polymer 0.00 0.00 484 485 C17H24N2O8 non-polymer 1.00 0.48 485 486 C29H35N1O2 non-polymer 0.38 0.06 486 487 C13H24N6 non-polymer 0.20 0.16 487 488 C14H16N2O3S2 non-polymer 0.00 0.00 488 489 C8F1H10N1O1 non-polymer 0.00 0.00 489 48B C23Cl1F1H17N5O2 non-polymer 1.00 0.25 48B 48C C12H18N4O6 non-polymer 1.00 0.45 48C 48D C17H28O3 non-polymer 0.00 0.00 48D 48E C20H22N6O7 non-polymer 1.00 0.30 48E 48F C15H23N5O14P2 non-polymer 1.00 0.64 48F 48G C61H106N2O10 non-polymer 1.00 0.29 48G 48H C17H24N6O14P2 non-polymer 1.00 0.67 48H 48I C13Cl1H10N3O6 non-polymer 0.00 0.00 48I 48K C19H22N4O3S1 non-polymer 0.20 0.11 48K 48L Br1C30Cl1F1H29N4O4 non-polymer 0.58 0.10 48L 48M C30Cl2H27N5O3 non-polymer 0.58 0.10 48M 48N C17H24N6O14P2 non-polymer 1.00 0.67 48N 48O C12H17N6O6 non-polymer 1.00 0.42 48O 48P C8H12O6 non-polymer 0.00 0.00 48P 48Q C39H52N4O4 non-polymer 0.38 0.38 48Q 48R C18H18N2O4S1 non-polymer 0.56 0.28 48R 48S C12H18N1O5P1 non-polymer 0.44 0.32 48S 48T C24H27N3O7S1 non-polymer 0.00 0.00 48T 48U C19Cl1F1H19N3O4S2 non-polymer 0.50 0.13 48U 48V C5H10N2O3S1 peptide-like 0.00 0.00 48V 48W C23Cl1H27N4O5S1 non-polymer 0.00 0.00 48W 48X C3H7O6P1 non-polymer 0.98 0.60 48X 48Y C7H10O7 non-polymer 0.79 0.79 48Y 48Z C5F1H10O6P1S1 saccharide 1.00 0.64 48Z 490 C25H23N5O2 non-polymer 0.00 0.00 490 491 C11H20N1O11P1 non-polymer 1.00 0.83 491 492 C9H9N1S2 non-polymer 0.00 0.00 492 493 C32H36N3O9P1 non-polymer 0.00 0.00 493 494 C21Cl2H15N3O4 non-polymer 0.17 0.10 494 495 C8Cl1H5N2O1 non-polymer 0.00 0.00 495 496 C16F3H17N4O3S1 non-polymer 0.00 0.00 496 497 C23H24N4O1 non-polymer 0.00 0.00 497 498 C18H8N4O2Ru1S1 non-polymer 0.00 0.00 498 499 C17H12N6O1 non-polymer 0.00 0.00 499 49A C11H19N3O6 non-polymer 1.00 1.00 49A 49B C16H11N5O1S1 non-polymer 0.00 0.00 49B 49C C19Cl1H15O3S1 non-polymer 1.00 0.54 49C 49D C18Cl1H20N5O1 non-polymer 0.00 0.00 49D 49E C18Cl1H20N5O1 non-polymer 0.00 0.00 49E 49F C7H15N1O1 non-polymer 0.62 0.56 49F 49G C13H17N3 non-polymer 0.00 0.00 49G 49H C30Cl2H30N4O4 non-polymer 0.58 0.10 49H 49J C17H18N4O2S1 non-polymer 0.00 0.00 49J 49K C13F1H17N4 non-polymer 0.00 0.00 49K 49L C25H38N4O3 non-polymer 0.30 0.19 49L 49M C54H105N1O8 non-polymer 1.00 0.33 49M 49N C10F3H12N3 non-polymer 0.00 0.00 49N 49O C10H12N4 non-polymer 0.00 0.00 49O 49P C10F3H7N2O1 non-polymer 0.00 0.00 49P 49Q C16H18O2 non-polymer 0.00 0.00 49Q 49R C14H20N2O2 non-polymer 0.56 0.28 49R 49S C8H13N1O7 non-polymer 1.00 1.00 49S 49T C8H15N1O5 D-saccharide 1.00 1.00 49T 49U C21H30N4O2 non-polymer 0.00 0.00 49U 49V C8H11N1O6 non-polymer 1.00 1.00 49V 49W C37H47N5O3 non-polymer 0.38 0.36 49W 49X C39H67N1O8 non-polymer 1.00 0.44 49X 49Y C46H87N1O9 non-polymer 1.00 0.48 49Y 49Z C14F1H16N1S1 non-polymer 0.00 0.00 49Z 4A0 C19H27N1O1 non-polymer 0.00 0.00 4A0 4A1 C10H13N1O4S1 non-polymer 0.00 0.00 4A1 4A2 C23F4H17N3O3 non-polymer 0.00 0.00 4A2 4A3 C7H7N1O3 non-polymer 0.00 0.00 4A3 4A5 Br1C8H9N2O2 non-polymer 0.00 0.00 4A5 4A6 C10H14Ru1 non-polymer 0.00 0.00 4A6 4A7 C18H20N2O5S1 non-polymer 0.00 0.00 4A7 4A8 C16H17N3O4S1 non-polymer 0.00 0.00 4A8 4A9 C29F3H29N8O3S1 non-polymer 0.00 0.00 4A9 4AA C7Cl1H6N1O3 non-polymer 0.00 0.00 4AA 4AB C9H16N6O2 non-polymer 0.64 0.47 4AB 4AC C11H16N3O9P1 RNA linking 1.00 0.42 4AC 4AD C14H21N7O9P1 non-polymer 1.00 0.55 4AD 4AE C22H21N3O5S1 non-polymer 0.00 0.00 4AE 4AF C11H13N1O3 L-peptide linking 0.62 0.20 4AF 4AG C35H68O5 non-polymer 1.00 0.35 4AG 4AH C39H45N5O6 non-polymer 0.38 0.04 4AH 4AJ C14Cl2H8N2O3 non-polymer 0.00 0.00 4AJ 4AK C6H14N2O5S1 L-peptide linking 0.00 0.00 4AK 4AL C8H11N1O1 non-polymer 0.00 0.00 4AL 4AM C11H18N2O7 non-polymer 1.00 1.00 4AM 4AN C12H8N2O2 non-polymer 0.00 0.00 4AN 4AO C12H15N5O1 non-polymer 0.00 0.00 4AO 4AP C5H7N2 non-polymer 0.00 0.00 4AP 4AQ C16H19N3 non-polymer 0.00 0.00 4AQ 4AR C16H25N4O3 L-peptide linking 0.56 0.30 4AR 4AS C6H11N3 non-polymer 0.00 0.00 4AS 4AT C6H10O3 non-polymer 0.00 0.00 4AT 4AU C12H9N3O1 non-polymer 0.00 0.00 4AU 4AV C8Cl1H9N2O2 non-polymer 0.00 0.00 4AV 4AW C10H11N3O2 L-peptide linking 0.00 0.00 4AW 4AX C3H6N2O2 non-polymer 0.00 0.00 4AX 4AY Br1C8H7O2 non-polymer 0.00 0.00 4AY 4AZ C8H9N1O2 non-polymer 0.00 0.00 4AZ 4B0 Br4C9H7N3O1 non-polymer 0.00 0.00 4B0 4B1 C30H29N5O8S2 non-polymer 0.00 0.00 4B1 4B2 C15F2H14N4S1 non-polymer 0.00 0.00 4B2 4B3 Br1C23H28N1O5S1 non-polymer 0.00 0.00 4B3 4B5 C39H52N4O6 peptide-like 0.56 0.10 4B5 4B7 C27H29N7O3S1 non-polymer 0.00 0.00 4B7 4B8 C14Cl2H8N2O3 non-polymer 0.00 0.00 4B8 4BA C11H13N1O4 non-polymer 0.00 0.00 4BA 4BB Br2C18H18N2O3 non-polymer 0.38 0.08 4BB 4BC C19H16N2O6 non-polymer 0.00 0.00 4BC 4BD C11F2H17N2O13P3 non-polymer 1.00 0.55 4BD 4BE Br3C14H9N2O3 non-polymer 0.25 0.23 4BE 4BF Br1C9H10N1O2 L-peptide linking 0.00 0.00 4BF 4BG C15H16N2O2 non-polymer 0.00 0.00 4BG 4BH C13Cl1H15N4O2 non-polymer 0.00 0.00 4BH 4BI C22Cl1H22N1O3 non-polymer 0.56 0.19 4BI 4BJ C30H29N3O7S1 non-polymer 0.00 0.00 4BJ 4BK C24H29N5O5S1 non-polymer 0.56 0.14 4BK 4BL C10H9N1O2 non-polymer 0.00 0.00 4BL 4BM C16F3H14I1N2O4 non-polymer 0.98 0.35 4BM 4BN C43H66N7O18P3S1 non-polymer 1.00 0.32 4BN 4BO C17H18N2O4 non-polymer 0.00 0.00 4BO 4BP Br2C14H12 non-polymer 0.00 0.00 4BP 4BQ C18H20N2O4 non-polymer 0.00 0.00 4BQ 4BR C9H12O3P1 non-polymer 0.00 0.00 4BR 4BS C17H20N2O2 non-polymer 0.00 0.00 4BS 4BT C12H18N4S2 non-polymer 0.00 0.00 4BT 4BU C19H22N2O5 non-polymer 0.00 0.00 4BU 4BV C24H27N5O6S1 non-polymer 0.00 0.00 4BV 4BW C20H24N10O13P2 non-polymer 1.00 0.44 4BW 4BX C10H10N2O2 non-polymer 0.00 0.00 4BX 4BY C10H9N1O2 non-polymer 0.00 0.00 4BY 4BZ C8H10N2O1 non-polymer 0.00 0.00 4BZ 4C0 C19H19N3O3 non-polymer 0.00 0.00 4C0 4C1 C32H42N4O8S1 non-polymer 0.58 0.09 4C1 4C2 C22F3H23N4O5S1 non-polymer 0.00 0.00 4C2 4C4 C24H33N1O6 non-polymer 1.00 0.81 4C4 4C5 C23H23N1O3S1 non-polymer 0.00 0.00 4C5 4C6 C22H25N3O5S1 non-polymer 0.00 0.00 4C6 4C7 C15H34O7P2 non-polymer 0.00 0.00 4C7 4C8 Br5C12H5O1 non-polymer 0.00 0.00 4C8 4C9 C30H33N7O2 non-polymer 0.38 0.05 4C9 4CA C28H42N7O17P3S1 non-polymer 1.00 0.41 4CA 4CB B1C7H7O4 non-polymer 0.00 0.00 4CB 4CC C25H25N7O3 non-polymer 0.61 0.23 4CC 4CD C18Cl1H18N1O3 non-polymer 0.00 0.00 4CD 4CE C30Cl2H28N10O4 non-polymer 0.29 0.11 4CE 4CF C10H10N2O2 L-peptide linking 0.00 0.00 4CF 4CG C9H16N1O6P1 peptide linking 0.43 0.29 4CG 4CH C6Cl1H5O1 non-polymer 0.00 0.00 4CH 4CK C14H13N3O3 non-polymer 0.00 0.00 4CK 4CL C6Cl1H5O2 non-polymer 0.00 0.00 4CL 4CM C8H11N2O2P1 non-polymer 0.00 0.00 4CM 4CN C13H12N2O1S1 non-polymer 0.00 0.00 4CN 4CO C29H42N7O18P3S1 non-polymer 1.00 0.40 4CO 4CP C18Cl1H20N5O2S1 non-polymer 0.00 0.00 4CP 4CQ C48H80O40 saccharide 1.00 1.00 4CQ 4CR C17H23N2O2 non-polymer 0.40 0.24 4CR 4CS C6H10N2O2 non-polymer 0.00 0.00 4CS 4CT C18Cl1H20N5O1S1 non-polymer 0.00 0.00 4CT 4CU C21H22O4 non-polymer 0.58 0.52 4CU 4CV Br1C17H19N6O3S1 non-polymer 0.00 0.00 4CV 4CW C12H12N6O2S1 non-polymer 0.00 0.00 4CW 4CX C28F3H27N2O3S1 non-polymer 0.00 0.00 4CX 4CY C5H8N2O2S1 L-peptide linking 0.00 0.00 4CY 4CZ C30H30N2O4S2 non-polymer 0.00 0.00 4CZ 4D0 C22H26N2O7 non-polymer 1.00 0.48 4D0 4D1 C19H26N2O7 non-polymer 1.00 0.54 4D1 4D2 C21H24N2O5 non-polymer 0.00 0.00 4D2 4D3 C11F1H8N1O2 non-polymer 0.97 0.27 4D3 4D4 C6H14N4O3 L-peptide linking 0.50 0.85 4D4 4D5 C28Cl2H27N9O5 non-polymer 0.29 0.11 4D5 4D6 B1C12H16N1O5S1 non-polymer 0.00 0.00 4D6 4D7 C16H15N3O4 non-polymer 0.45 0.39 4D7 4D8 C29H46O3 non-polymer 0.38 0.16 4D8 4D9 C19H15N3O3S1 non-polymer 0.45 0.35 4D9 4DB C14H17N3O4 L-peptide linking 0.20 0.14 4DB 4DC C18H22N2O3S2 non-polymer 0.00 0.00 4DC 4DD C10H15N1 non-polymer 0.00 0.00 4DD 4DE C15H18N2O3 non-polymer 0.75 0.25 4DE 4DF C20Cl1H18N7O2S1 non-polymer 0.00 0.00 4DF 4DG C8H12N5O6P1 DNA OH 3 prime terminus 0.00 0.00 4DG 4DH C21H19N5O3 non-polymer 0.45 0.31 4DH 4DI C7H17N3S1 non-polymer 0.20 0.27 4DI 4DJ C22H22N8O1 non-polymer 0.00 0.00 4DJ 4DK C24H23N7O2 non-polymer 0.00 0.00 4DK 4DL C20H19N7O3S1 non-polymer 0.00 0.00 4DL 4DM C20H17N1O7 non-polymer 0.00 0.00 4DM 4DN C21H21N7O3S1 non-polymer 0.00 0.00 4DN 4DO C19F1H16N7O2S1 non-polymer 1.00 0.27 4DO 4DP C13H15N3O4 L-peptide linking 0.20 0.15 4DP 4DQ C20F1H18N7O2S1 non-polymer 1.00 0.26 4DQ 4DS C16H10N2O6S4 non-polymer 0.15 0.18 4DS 4DT C23F1H25N8O1 non-polymer 1.00 0.24 4DT 4DU C11H15N4O6P1 DNA linking 1.00 0.41 4DU 4DV C34Cl1F1H31N1O2 non-polymer 0.93 0.21 4DV 4DW C20H19N5O6 non-polymer 0.59 0.39 4DW 4DX C7H14O1 non-polymer 0.00 0.00 4DX 4DY C18H27N1O3 non-polymer 0.46 0.32 4DY 4DZ C23Cl1H11N4 non-polymer 0.00 0.00 4DZ 4E1 C16H9I1N2O2 non-polymer 0.00 0.00 4E1 4E2 C16Cl1H8I1N2O2 non-polymer 0.00 0.00 4E2 4E3 Br1C16H8I1N2O2 non-polymer 0.00 0.00 4E3 4E4 C13H20N2O2 non-polymer 0.62 0.18 4E4 4E5 C12H13N1O5 non-polymer 0.00 0.00 4E5 4E6 C16H28 non-polymer 0.38 0.56 4E6 4E7 C15H19N1O4 non-polymer 0.00 0.00 4E7 4E8 C18F1H20N5 non-polymer 0.00 0.00 4E8 4E9 C27H23N6O8P1 DNA linking 1.00 0.21 4E9 4EA C23H22N4O1 non-polymer 0.20 0.18 4EA 4EB C29F1H26N3O5S2 non-polymer 0.00 0.00 4EB 4ED C16H14N2S1 non-polymer 0.20 0.26 4ED 4EE C19H18N4O2S1 non-polymer 0.00 0.00 4EE 4EF C17Cl1H19N6O3S1 non-polymer 0.00 0.00 4EF 4EG C11H9N1O2 non-polymer 0.97 0.29 4EG 4EH C16H19N7O1S1 non-polymer 0.00 0.00 4EH 4EJ C20H15N5 non-polymer 0.00 0.00 4EJ 4EK C21F1H18N5 non-polymer 0.00 0.00 4EK 4EL C23H21N5O5S2 non-polymer 0.00 0.00 4EL 4EM C16H27N4O8P1 non-polymer 0.62 0.34 4EM 4EN C10H14N5O6P1 DNA linking 1.00 0.41 4EN 4EO C15H14N2O3 non-polymer 0.00 0.00 4EO 4EP C16H16N2O3 non-polymer 0.00 0.00 4EP 4EQ C19Cl1H17N4O5S1 non-polymer 0.00 0.00 4EQ 4ER C9Cl1H8N5 non-polymer 0.00 0.00 4ER 4ES C11Cl1H9N4O2 non-polymer 0.00 0.00 4ES 4ET C13Cl1H9O3 non-polymer 0.00 0.00 4ET 4EU C13H10O4 non-polymer 0.00 0.00 4EU 4EV C13H10O4 non-polymer 0.00 0.00 4EV 4EW C20Cl1F1H19N9 non-polymer 0.00 0.00 4EW 4EX B1C5H10O6 non-polymer 1.00 0.75 4EX 4EY C12H15N1O8P1S2 non-polymer 1.00 0.42 4EY 4EZ C14H23N5O1 non-polymer 0.00 0.00 4EZ 4F0 C13H19N5O1S1 non-polymer 0.00 0.00 4F0 4F2 C22H32N6O2 non-polymer 0.36 0.13 4F2 4F3 C17F1H19N4O4 L-peptide linking 0.00 0.00 4F3 4F4 C24H19N5O2S2 non-polymer 0.00 0.00 4F4 4F5 C26H28N6O3S1 non-polymer 0.39 0.14 4F5 4F6 C23F1H18N5O1 non-polymer 0.00 0.00 4F6 4F7 C19H16N4 non-polymer 0.00 0.00 4F7 4F8 C11H8N2O4 non-polymer 0.00 0.00 4F8 4F9 C8H7N3 non-polymer 0.00 0.00 4F9 4FA C8F1H9O1 non-polymer 0.00 0.00 4FA 4FB C5F1H8N1O2 L-peptide linking 0.00 0.00 4FB 4FC C13F1H9O2 non-polymer 0.00 0.00 4FC 4FD C13H13N3O1 non-polymer 0.00 0.00 4FD 4FE C10H10O4 non-polymer 0.44 0.43 4FE 4FF C11H10N2O2 non-polymer 0.00 0.00 4FF 4FG C6H7N3O1 non-polymer 0.00 0.00 4FG 4FH C6F3H4N1O1S1 non-polymer 0.00 0.00 4FH 4FI C24H21N3O3 non-polymer 0.45 0.30 4FI 4FJ C30F1H30N5O2 non-polymer 0.00 0.00 4FJ 4FL C8H7N3 non-polymer 0.00 0.00 4FL 4FM C10Cl1H9N4O2 non-polymer 0.00 0.00 4FM 4FN C26H31N3O3 non-polymer 0.38 0.06 4FN 4FP C12F1H16N1 non-polymer 0.00 0.00 4FP 4FR C34Cl1H34N7O3 non-polymer 0.00 0.00 4FR 4FS C9H8N2 non-polymer 0.00 0.00 4FS 4FT C8H6N2 non-polymer 0.00 0.00 4FT 4FU C8H12O4 non-polymer 0.00 0.00 4FU 4FV C8H12N4O3 non-polymer 0.00 0.00 4FV 4FW C11F1H11N2O2 L-peptide linking 0.00 0.00 4FW 4FX C14H15N3O2 non-polymer 0.00 0.00 4FX 4FY C15H15N3O4 non-polymer 0.00 0.00 4FY 4FZ C8H8N2O1 non-polymer 0.00 0.00 4FZ 4G0 C15H18N4O1 non-polymer 0.20 0.15 4G0 4G1 C22H23N3O3 non-polymer 0.00 0.00 4G1 4G2 C11Cl1H9N2O2 non-polymer 0.00 0.00 4G2 4G3 C13H13N3O2 non-polymer 0.00 0.00 4G3 4G4 C15H18N4O1 non-polymer 0.20 0.15 4G4 4G5 C14H14N4O4 non-polymer 0.50 0.18 4G5 4G6 C4H12N2 non-polymer 0.40 1.00 4G6 4G7 C17F1H14N1O6 non-polymer 0.00 0.00 4G7 4G8 C20H17N3O5 non-polymer 0.81 0.25 4G8 4G9 C10Cl2H12N2O3S1 non-polymer 0.00 0.00 4G9 4GA C9H19N2O7P2 non-polymer 0.00 0.00 4GA 4GB C17H26N2O4S2 non-polymer 0.00 0.00 4GB 4GC C24H42O21 D-saccharide 1,4 and 1,4 linking 1.00 1.00 4GC 4GD C17H14N6O1 non-polymer 0.00 0.00 4GD 4GE C19Cl1H16N3O3 non-polymer 0.50 0.15 4GE 4GF C27F1H30N7O1 non-polymer 0.36 0.11 4GF 4GG C15H19N3O1S1 non-polymer 0.00 0.00 4GG 4GH C50H99N1O7 non-polymer 1.00 0.19 4GH 4GI C20H23N3O6S1 non-polymer 0.50 0.30 4GI 4GJ C8H10N2O2S2 L-peptide linking 0.00 0.00 4GJ 4GK C20H19N7 non-polymer 0.00 0.00 4GK 4GM C13H13N3O2 non-polymer 0.00 0.00 4GM 4GN C12H17N3O1 non-polymer 0.00 0.00 4GN 4GO C11H15N3O1 non-polymer 0.00 0.00 4GO 4GP C8H13N1O8 non-polymer 1.00 1.00 4GP 4GQ C29Cl2H38N4O4 non-polymer 0.00 0.00 4GQ 4GR C29Cl2H24N8O3 non-polymer 0.29 0.12 4GR 4GS C8H13N5O2 non-polymer 0.00 0.00 4GS 4GT C10H15N5O1 non-polymer 1.00 0.69 4GT 4GU C11F1H8N5 non-polymer 0.00 0.00 4GU 4GW C14H16N2O13P2S1 non-polymer 1.00 0.31 4GW 4GX C13H16N6O2 non-polymer 0.00 0.00 4GX 4GY C10H16N4O2 non-polymer 0.00 0.00 4GY 4GZ C23H30N4O2 non-polymer 0.00 0.00 4GZ 4H0 C11F4H9N1O4 peptide-like 0.64 0.50 4H0 4H1 C14H22N4O1 non-polymer 0.00 0.00 4H1 4H2 C6H7N1S1 non-polymer 0.00 0.00 4H2 4H3 C12H17N3O3 non-polymer 1.00 0.50 4H3 4H4 C12H13N5O4S1 non-polymer 0.00 0.00 4H4 4H5 C14Cl1H10N3O1 non-polymer 0.00 0.00 4H5 4H6 C17H20N4O2 non-polymer 0.00 0.00 4H6 4H7 C18H23N5O1 non-polymer 0.00 0.00 4H7 4H8 C10H17N5O1 non-polymer 1.00 0.94 4H8 4H9 C10H10N4O2 non-polymer 0.00 0.00 4H9 4HA C4H12N1O1 non-polymer 0.00 0.00 4HA 4HB C12H10O2 non-polymer 0.00 0.00 4HB 4HC C9H6O3 non-polymer 0.00 0.00 4HC 4HD C22H32O3 non-polymer 0.46 0.88 4HD 4HE C40Cl1Fe1H36N4O4 non-polymer 0.38 0.08 4HE 4HF C19H23N5O6S1 non-polymer 0.68 0.39 4HF 4HG C12H9I1N2O4 non-polymer 0.81 0.37 4HG 4HH C14H28N3O9P1S1 L-peptide linking 0.83 0.64 4HH 4HI C27F1H32N3O5 non-polymer 0.00 0.00 4HI 4HJ C21H32N3O11P1S1 L-peptide linking 0.83 0.49 4HJ 4HK C22H20N4O2 non-polymer 0.00 0.00 4HK 4HL C16H17N3O5 L-peptide linking 0.00 0.00 4HL 4HM C7H8O4 non-polymer 0.00 0.00 4HM 4HN C23H17N3O2 non-polymer 0.00 0.00 4HN 4HO C6H7N1O2 non-polymer 0.00 0.00 4HO 4HP C8H8O3 non-polymer 0.00 0.00 4HP 4HQ C8H13N5O2 non-polymer 0.00 0.00 4HQ 4HR Br1C7H7O1 non-polymer 0.00 0.00 4HR 4HS Br1C5H4N1O1 non-polymer 0.00 0.00 4HS 4HT C11H12N2O3 L-peptide linking 0.00 0.00 4HT 4HU Br1C6H6N1O1 non-polymer 0.00 0.00 4HU 4HV C23H22N2O5 non-polymer 0.45 0.27 4HV 4HW C18H16N8 non-polymer 0.00 0.00 4HW 4HX C11H22N8O5 non-polymer 0.30 0.42 4HX 4HY C14H9I3O4 non-polymer 0.00 0.00 4HY 4HZ C16Cl1F4H13N6O1 non-polymer 0.00 0.00 4HZ 4I4 C20H27N6O3 non-polymer 0.00 0.00 4I4 4I5 C14Cl1H15N2O1 non-polymer 0.00 0.00 4I5 4I8 C9H7N1O4 non-polymer 0.97 0.29 4I8 4IA C10H12O2 non-polymer 0.00 0.00 4IA 4IB C15H12I4O2 non-polymer 0.38 0.10 4IB 4IC C7H8N2O2 non-polymer 0.67 0.45 4IC 4ID C21F3H18N3O4S2 non-polymer 1.00 0.21 4ID 4IG C24F2H25N5O3 non-polymer 0.56 0.15 4IG 4IH C17Cl1H21N2O2S1 non-polymer 0.00 0.00 4IH 4II C9H10N4O2 L-peptide linking 0.00 0.00 4II 4IK C16H25N7O5 L-peptide linking 1.00 0.36 4IK 4IN C11H13N3O2 L-peptide linking 0.00 0.00 4IN 4IP C6H16O18P4 non-polymer 1.00 0.43 4IP 4IR C28Cl1H45Ir1N5O4S2 non-polymer 0.00 0.00 4IR 4J0 C44H68N12O24 non-polymer 1.00 0.80 4J0 4J2 C13H13N1O2 D-peptide linking 0.00 0.00 4J2 4J3 H4N2O3S1 non-polymer 0.00 0.00 4J3 4J4 C18F2H18N2O3S1 L-peptide linking 0.00 0.00 4J4 4J5 C5H13N4O2 L-peptide linking 0.42 0.82 4J5 4J6 C15H26N4O6S2 non-polymer 0.50 0.33 4J6 4J7 C26F2H25N7O6S2 non-polymer 1.00 0.21 4J7 4J8 C7H9N1O2S1 non-polymer 0.00 0.00 4J8 4J9 C40H60N12O24 non-polymer 1.00 0.84 4J9 4JA C9H19O10P1 DNA linking 1.00 0.80 4JA 4JC C8H11N1O2S1 non-polymer 0.00 0.00 4JC 4JE C9H13N1O2S1 non-polymer 0.00 0.00 4JE 4JF C68H90N6O24 non-polymer 1.00 0.41 4JF 4JG C16H14N2O1S1 non-polymer 0.62 0.15 4JG 4JH Br1C7H8N1 non-polymer 0.00 0.00 4JH 4JJ C6Cl1H7N2 non-polymer 0.00 0.00 4JJ 4JK C7H15N3O3 non-polymer 0.50 1.00 4JK 4JL C7Cl1H7O1 non-polymer 0.00 0.00 4JL 4JM C7H9N1S1 non-polymer 0.00 0.00 4JM 4JN Br1C5H5N2 non-polymer 0.00 0.00 4JN 4JO Br1C6H7N2 non-polymer 0.00 0.00 4JO 4JP C7H6N2 non-polymer 0.00 0.00 4JP 4JQ C9H7N1O2 non-polymer 0.00 0.00 4JQ 4JR C25H28N4O1 non-polymer 0.00 0.00 4JR 4JS C12H12N2O1 non-polymer 0.00 0.00 4JS 4JT C8H8N2S1 non-polymer 0.00 0.00 4JT 4JU C7H15N1 non-polymer 0.00 0.00 4JU 4JV C16H16N4O1 non-polymer 0.00 0.00 4JV 4JW C16H15N1O3 non-polymer 0.50 0.20 4JW 4JX C19H24N4O2 non-polymer 0.00 0.00 4JX 4JY C28F1H30N5O2 non-polymer 0.58 0.11 4JY 4JZ C24H27N7O2 non-polymer 0.38 0.06 4JZ 4K0 C19H12N8 non-polymer 0.00 0.00 4K0 4K1 C29F1H31N6O3 non-polymer 0.58 0.10 4K1 4K2 C15H16N2O2 non-polymer 0.00 0.00 4K2 4K3 C9H11N1O1S1 non-polymer 0.00 0.00 4K3 4K4 C31H38N8O3 non-polymer 0.00 0.00 4K4 4K5 C20F4H21N5O3 non-polymer 0.00 0.00 4K5 4K6 C20H20N6O1 non-polymer 0.00 0.00 4K6 4K7 C24Cl2H29N3O1 non-polymer 0.00 0.00 4K7 4K8 C10H7N1O2 non-polymer 0.00 0.00 4K8 4K9 C16H16N2O3S1 non-polymer 0.00 0.00 4K9 4KA C5H6N4 non-polymer 0.00 0.00 4KA 4KB C16H16N2O5S1 non-polymer 0.00 0.00 4KB 4KC C16H16N2O3S1 non-polymer 0.00 0.00 4KC 4KD C18H20N2O5S1 non-polymer 0.00 0.00 4KD 4KE C16H16O7 non-polymer 0.38 0.26 4KE 4KF C17H25N1O6 non-polymer 0.60 0.50 4KF 4KG C25H23N3O2 non-polymer 0.00 0.00 4KG 4KH C15F1H10N3O1S1 non-polymer 0.00 0.00 4KH 4KJ C8H16N4O3 non-polymer 0.50 1.00 4KJ 4KK C17H15N3O2S1 non-polymer 0.00 0.00 4KK 4KL C10H7N1O4 non-polymer 0.00 0.00 4KL 4KM C22F3H24N1O4 non-polymer 0.65 0.40 4KM 4KN C14F1H11O5 non-polymer 0.95 0.20 4KN 4KO C15H17N7O5S3 non-polymer 0.00 0.00 4KO 4KP C36H35I1N5O2P1S1 non-polymer 0.00 0.00 4KP 4KQ C27F3H25O6 non-polymer 0.65 0.19 4KQ 4KR C10H12N2O5S1 non-polymer 0.46 0.44 4KR 4KS C7H8O2 non-polymer 0.00 0.00 4KS 4KT C24H24N4O3 non-polymer 0.00 0.00 4KT 4KU C16H20N2O6S4 non-polymer 0.00 0.00 4KU 4KV C13Cl1H18O3Pt1S3 non-polymer 0.00 0.00 4KV 4KX C28H42N7O17P3S1 non-polymer 1.00 0.41 4KX 4KY C15H25N1O4 peptide linking 0.44 0.20 4KY 4KZ B1C22H23N4O4 non-polymer 0.00 0.00 4KZ 4L0 C13H23N1O4 L-peptide linking 0.00 0.00 4L0 4L1 C24H23N7 non-polymer 0.00 0.00 4L1 4L2 C16H18N2O2 non-polymer 0.00 0.00 4L2 4L3 C27H31N3O4 non-polymer 0.56 0.15 4L3 4L4 C23H29N1O12 non-polymer 1.00 0.78 4L4 4L5 C17H19N5O2 non-polymer 0.36 0.17 4L5 4L6 C17H14N6O1 non-polymer 0.00 0.00 4L6 4L7 Br1C17H14N3O2S1 non-polymer 0.00 0.00 4L7 4L8 C7H15N1O2 L-peptide linking 0.00 0.00 4L8 4L9 C24F2H25N3O3 non-polymer 0.00 0.00 4L9 4LA B9C16H14N1O4 non-polymer 0.56 0.20 4LA 4LB C16Cl1H20N1O4 non-polymer 0.00 0.00 4LB 4LC C29H25N5O3 non-polymer 0.00 0.00 4LC 4LD C24H23N5O2 non-polymer 0.00 0.00 4LD 4LE C3Cl1F5H2O1 non-polymer 0.00 0.00 4LE 4LF C13H12N2O5 non-polymer 0.00 0.00 4LF 4LG C33H37N3O7 non-polymer 0.83 0.26 4LG 4LH C26Cl1H30N7O2 non-polymer 0.38 0.14 4LH 4LI C27Cl1H32N9O2S1 non-polymer 1.00 0.32 4LI 4LJ Br1C3H8N1 non-polymer 0.00 0.00 4LJ 4LK C23F1H18N5O4 non-polymer 0.00 0.00 4LK 4LL C13H16N2O1 non-polymer 0.00 0.00 4LL 4LM C12H15N2O7P1 non-polymer 0.93 0.36 4LM 4LN C22H22N6O2 non-polymer 0.00 0.00 4LN 4LO C30H39N7O3S1 non-polymer 0.58 0.10 4LO 4LP C28F1H26N5O3 non-polymer 0.00 0.00 4LP 4LQ C25H32N4O1 non-polymer 0.00 0.00 4LQ 4LR C5H11O4P1 non-polymer 0.62 0.60 4LR 4LS C22H31N4O9P1 non-polymer 1.00 0.36 4LS 4LT C3F1H5O2 non-polymer 0.75 0.83 4LT 4LU C22H30N4O9P1 non-polymer 1.00 0.28 4LU 4LV C10H10O2 non-polymer 0.93 0.58 4LV 4LW C9F1H7O2 non-polymer 0.93 0.33 4LW 4LX C50H99N1O8S1 non-polymer 1.00 0.37 4LX 4LZ C11H15N4O3 L-peptide linking 0.00 0.00 4LZ 4M0 C8H9N1O2 non-polymer 0.00 0.00 4M0 4M1 C26Cl2H22N6O1 non-polymer 0.00 0.00 4M1 4M2 C37H50N6O14 non-polymer 1.00 0.65 4M2 4M3 C23H25N5O7 non-polymer 0.45 0.46 4M3 4M4 C9H10O2 non-polymer 0.38 0.18 4M4 4M5 C22H32O3 non-polymer 0.38 0.84 4M5 4M6 C25H23N1O3 non-polymer 0.00 0.00 4M6 4M7 C25H23N1O4S1 non-polymer 0.00 0.00 4M7 4M8 C5H12N1O5P1 L-peptide linking 0.68 0.83 4M8 4M9 C18H17N5O3 non-polymer 0.00 0.00 4M9 4MA C8H8O2 non-polymer 0.00 0.00 4MA 4MB C8H9N1O4S1 non-polymer 0.00 0.00 4MB 4MC C29H41N7O4S1 non-polymer 0.28 0.12 4MC 4MD C14Cl1H15N2O4S2 non-polymer 0.00 0.00 4MD 4ME C10H9N1O2 non-polymer 0.97 0.31 4ME 4MF C14H18N1O6P1 DNA linking 1.00 0.41 4MF 4MG C23H27N7O1 non-polymer 0.00 0.00 4MG 4MH C22H32N6O4S1 non-polymer 1.00 0.33 4MH 4MI C8H8O2S1 non-polymer 0.00 0.00 4MI 4MJ C30H37N4O10P1 non-polymer 1.00 0.22 4MJ 4MK C28Cl1H36N5O3S1 non-polymer 0.58 0.11 4MK 4ML C7H8O4 non-polymer 0.00 0.00 4ML 4MM C8H18N1O2S1 L-peptide NH3 amino terminus 0.59 0.67 4MM 4MN C7H9N1 non-polymer 0.00 0.00 4MN 4MO H1 non-polymer 0.00 0.00 4MO 4MP C12H13N1O3 non-polymer 0.00 0.00 4MP 4MQ C14H18N4 non-polymer 0.00 0.00 4MQ 4MR C24H22N6O4 non-polymer 1.00 0.38 4MR 4MS C24Cl1F1H25N3O6S2 non-polymer 0.38 0.05 4MS 4MT C9H11N1O1S1 non-polymer 0.00 0.00 4MT 4MU C10H8O3 non-polymer 0.00 0.00 4MU 4MV C6H12O2 non-polymer 0.00 0.00 4MV 4MW C38Cl1H37N8O7S1 non-polymer 1.00 0.16 4MW 4MX C12H16O4 non-polymer 0.00 0.00 4MX 4MY C6H16O18P4 non-polymer 1.00 0.43 4MY 4MZ C4H6N2 non-polymer 0.00 0.00 4MZ 4N1 C16H19N4O2S1 non-polymer 0.00 0.00 4N1 4N2 C6H12O6 L-saccharide 1.00 1.00 4N2 4N3 C13H25N1O3 D-peptide linking 0.59 0.47 4N3 4N5 C16Cl1H13N4O3S1 non-polymer 0.62 0.12 4N5 4N6 C8Cl1H7N4O4 non-polymer 0.00 0.00 4N6 4N7 C21H21N1O3 L-peptide NH3 amino terminus 0.21 0.28 4N7 4N8 C11H14N2O3S1 L-peptide NH3 amino terminus 0.00 0.00 4N8 4N9 C14H15N3O2S1 L-peptide COOH carboxy terminus 0.00 0.00 4N9 4NA C16Cl1H11O2 non-polymer 0.00 0.00 4NA 4NB C7H5N1O4 non-polymer 0.00 0.00 4NB 4NC C6H5N1O4 non-polymer 0.00 0.00 4NC 4ND C14H15N5O1 non-polymer 0.00 0.00 4ND 4NE C16H36P1 non-polymer 0.00 0.00 4NE 4NF C7H6N2O2S1 non-polymer 0.00 0.00 4NF 4NG C4H8N1O6P1 non-polymer 0.00 0.00 4NG 4NH C17H23N3O5S2 non-polymer 0.50 0.11 4NH 4NI C4H7N1O4 non-polymer 0.00 0.00 4NI 4NJ C27Cl3H21N2O2 non-polymer 0.00 0.00 4NJ 4NK C17H29N5O8S1 non-polymer 0.56 0.81 4NK 4NL C6H7N1O1 non-polymer 0.00 0.00 4NL 4NM C7H8N1O2S1 non-polymer 0.00 0.00 4NM 4NN C8H11N1O5 saccharide 1.00 0.79 4NN 4NO C7H6N1O7P1 non-polymer 0.00 0.00 4NO 4NP C6H6N1O6P1 non-polymer 0.00 0.00 4NP 4NR C12F1H10N5 non-polymer 0.00 0.00 4NR 4NS C6H5N1O6S1 non-polymer 0.00 0.00 4NS 4NT C15Cl1H16N3O5 L-peptide linking 0.00 0.00 4NT 4NU C15Cl2H15N3O5 L-peptide linking 0.00 0.00 4NU 4NX C26Cl3H18N1O3 non-polymer 0.00 0.00 4NX 4NY C25Cl1F1H16N2O2 non-polymer 0.13 0.19 4NY 4NZ C6H6N2O4S1 non-polymer 0.00 0.00 4NZ 4O0 C28Cl1F2H21N2O3S1 non-polymer 0.00 0.00 4O0 4O1 C25Cl1H32N5O5S1 non-polymer 0.00 0.00 4O1 4O2 C23F1H20N3O4 non-polymer 0.00 0.00 4O2 4O3 C20F1H16N3O2 non-polymer 0.00 0.00 4O3 4O4 C25Cl1H28N3O6S1 non-polymer 0.00 0.00 4O4 4O5 C18Cl1F1H15N3O4S2 non-polymer 0.50 0.14 4O5 4O6 C19Cl1H24N3O5S1 non-polymer 0.20 0.17 4O6 4O7 C28H30N4O3 non-polymer 0.00 0.00 4O7 4O8 Br1C16Cl1F2H11N1O4 non-polymer 0.00 0.00 4O8 4O9 C16Cl1F2H11I1N1O4 non-polymer 0.00 0.00 4O9 4OA C24H40O3 non-polymer 0.00 0.00 4OA 4OB C14F3H11N2O1 non-polymer 0.00 0.00 4OB 4OC C11H18N3O8P1 RNA linking 1.00 0.43 4OC 4OD Br1C14F4H9N2O1 non-polymer 0.00 0.00 4OD 4OE C16F5H9N2 non-polymer 0.00 0.00 4OE 4OG C11H11N1O2S1 non-polymer 0.00 0.00 4OG 4OH C18H24O4 non-polymer 1.00 0.64 4OH 4OJ C7H9O4P1 non-polymer 0.00 0.00 4OJ 4OK C24Cl2H19N3O3 non-polymer 0.00 0.00 4OK 4OL C34H38N8O12 non-polymer 0.42 0.33 4OL 4OO C9H11N4O2 non-polymer 0.00 0.00 4OO 4OP C7H14N1O3 D-peptide linking 0.00 0.00 4OP 4OQ C20Cl1F1H22N4 non-polymer 0.00 0.00 4OQ 4OR C24Cl1F1H29N5O1 non-polymer 0.39 0.16 4OR 4OS C7H8O4S1 non-polymer 0.00 0.00 4OS 4OT C24F1H21N4O2S1 non-polymer 0.00 0.00 4OT 4OU C12H14N2O3 L-peptide linking 0.38 0.29 4OU 4OV C19H24N4O7S1 L-peptide linking 0.83 0.23 4OV 4OX C10H16O5 non-polymer 0.00 0.00 4OX 4OZ C12H13N1O7 peptide-like 0.83 0.45 4OZ 4P0 C10H15N1O1 non-polymer 0.62 0.25 4P0 4P1 C24Cl2F1H19N2O2 non-polymer 0.50 0.13 4P1 4P2 C41H53N5O8S1 peptide-like 0.30 0.09 4P2 4P3 C23Cl2F4H16N2O3 non-polymer 0.50 0.12 4P3 4P4 C22F1H20N5O2 non-polymer 0.00 0.00 4P4 4P5 C7H5N1O3 non-polymer 0.00 0.00 4P5 4P6 C15H14N2S1 non-polymer 0.00 0.00 4P6 4P7 C15H15N3 non-polymer 0.00 0.00 4P7 4P8 C14Cl1H10N1O4 non-polymer 0.00 0.00 4P8 4P9 C13Cl1H11N2O3 non-polymer 0.00 0.00 4P9 4PA C5H10O2 non-polymer 0.70 1.00 4PA 4PB C4H8N1O5P1 non-polymer 0.00 0.00 4PB 4PC C12H16N3O7P1 DNA linking 1.00 0.39 4PC 4PD C12H16N3O7P1 DNA linking 1.00 0.39 4PD 4PE C12H16N3O7P1 DNA linking 1.00 0.39 4PE 4PF C9H21N1O3 non-polymer 0.83 1.00 4PF 4PG C15H15N3O1 non-polymer 0.00 0.00 4PG 4PH C10H13N1O2 L-peptide linking 0.00 0.00 4PH 4PI C20H23N1O1 non-polymer 0.00 0.00 4PI 4PK C34H51N7O7 peptide-like 0.43 0.31 4PK 4PL C8H7N1O3 non-polymer 0.00 0.00 4PL 4PN C10H20N2 non-polymer 0.00 0.00 4PN 4PO C10H14N2O2 non-polymer 0.45 0.43 4PO 4PP C23H24N4O2 non-polymer 0.00 0.00 4PP 4PQ C11H12N2O3 L-peptide linking 0.00 0.00 4PQ 4PR C28H41N5O6 non-polymer 0.31 0.21 4PR 4PS C11H24N2O10P2S1 non-polymer 0.62 0.38 4PS 4PT C17H36O22P4 non-polymer 1.00 0.60 4PT 4PU Pu1 non-polymer 0.00 0.00 4PU 4PV C18F2H18N4 non-polymer 0.00 0.00 4PV 4PW C6H10O5 non-polymer 0.00 0.00 4PW 4PX C19H18N4O3 non-polymer 0.62 0.12 4PX 4PY C22H20N6O1 non-polymer 0.00 0.00 4PY 4PZ C4H6N2 non-polymer 0.00 0.00 4PZ 4Q0 C28H25N3O5 non-polymer 0.58 0.11 4Q0 4Q1 C27H33N3O5 non-polymer 1.00 0.57 4Q1 4Q2 C20H26N6O2S1 non-polymer 0.38 0.07 4Q2 4Q3 C27Cl1F1H29N5O2 non-polymer 0.50 0.22 4Q3 4Q5 C39H67N5O7 peptide-like 0.48 0.51 4Q5 4Q7 C25H22O7S1 non-polymer 0.00 0.00 4Q7 4Q9 C25H22O6S1 non-polymer 0.00 0.00 4Q9 4QA C29F1H37N4O2 non-polymer 0.58 0.11 4QA 4QB C27H31N5O5 non-polymer 0.61 0.22 4QB 4QC C29F3H26N5O2 non-polymer 0.20 0.08 4QC 4QD C29F1H38N5O2 non-polymer 0.00 0.00 4QD 4QE C19H23N5O1 non-polymer 0.00 0.00 4QE 4QF C27F1H33N4O1 non-polymer 0.00 0.00 4QF 4QG C16Cl1H11N2O2 non-polymer 0.00 0.00 4QG 4QH C24H25N3O7S1 non-polymer 0.00 0.00 4QH 4QJ C29F1H26N7O1 non-polymer 0.00 0.00 4QJ 4QK C10H19N5O2 L-peptide linking 0.00 0.00 4QK 4QL C16H18I3N1O5 non-polymer 0.00 0.00 4QL 4QM C24H42O3 non-polymer 0.00 0.00 4QM 4QO C22Cl1H26N3O2 non-polymer 0.50 0.46 4QO 4QP C14H22N1O4P1 non-polymer 0.00 0.00 4QP 4QQ C22H28N4O3S1 non-polymer 0.00 0.00 4QQ 4QS C30H42N2O9 non-polymer 0.00 0.00 4QS 4QT Br3C6H4N1O4 non-polymer 0.00 0.00 4QT 4QV C14H10N4O2 non-polymer 0.00 0.00 4QV 4QW C14H14N4 non-polymer 0.00 0.00 4QW 4QX C12Cl1H15N6O1 non-polymer 0.36 0.20 4QX 4QY C8H16N1O9P1 non-polymer 1.00 0.79 4QY 4QZ C17Cl1H17N6O1 non-polymer 0.00 0.00 4QZ 4R0 C13Cl1H17N6O1 non-polymer 0.36 0.19 4R0 4R1 C6H14N1O8P1 non-polymer 1.00 0.75 4R1 4R5 C17F2H13N3O2S1 non-polymer 0.00 0.00 4R5 4R8 C22H32O3 non-polymer 0.42 0.76 4R8 4RA C25H36N5O20P3 non-polymer 1.00 0.45 4RA 4RB C17H18N4O3 non-polymer 0.50 0.25 4RB 4RC C18Cl2F1H19N6 non-polymer 0.00 0.00 4RC 4RD C18Cl2F1H18N5O1 non-polymer 0.00 0.00 4RD 4RF C51H98O6 non-polymer 0.98 0.32 4RF 4RG C14H12O3 non-polymer 0.00 0.00 4RG 4RJ C24H21N5O3S1 non-polymer 0.00 0.00 4RJ 4RK C25H22N8O1S1 non-polymer 0.00 0.00 4RK 4RL C28H42N6O7 non-polymer 0.39 0.12 4RL 4RM C20H21N3O2S1 non-polymer 0.50 0.19 4RM 4RN C17Cl2H19N5 non-polymer 0.00 0.00 4RN 4RO C16Cl2F2H15N5 non-polymer 0.00 0.00 4RO 4RP C16Cl2H17N5 non-polymer 0.00 0.00 4RP 4RQ C16Cl2F1H16N5 non-polymer 0.00 0.00 4RQ 4RR C16H21N1O3 non-polymer 0.00 0.00 4RR 4RS C16H28O12 non-polymer 1.00 0.96 4RS 4RT C24Cl1F1H23N3O5 non-polymer 0.00 0.00 4RT 4RU C9H8N4O1 non-polymer 0.00 0.00 4RU 4RV C15H13N5O1 non-polymer 0.00 0.00 4RV 4RW C8H14N2S1 non-polymer 0.00 0.00 4RW 4RX C17Cl1H20N3O2S1 non-polymer 0.00 0.00 4RX 4RY C17Cl1H20N3O2S1 non-polymer 0.00 0.00 4RY 4RZ C15Cl1H18N3O1S1 non-polymer 0.00 0.00 4RZ 4S0 C49H80N10O33 non-polymer 1.00 0.97 4S0 4S1 C20H25N5O3S1 non-polymer 1.00 0.34 4S1 4S2 C20H23N5O4S1 non-polymer 1.00 0.67 4S2 4S3 C20H24N6O2S1 non-polymer 1.00 0.38 4S3 4S4 Br2C14H11N3O4 non-polymer 0.81 0.30 4S4 4S7 C21H45N3O3P1 non-polymer 0.00 0.00 4S7 4S9 Br1C13H17N2O4 non-polymer 0.56 0.25 4S9 4SA C19H22N2O4 non-polymer 0.56 0.20 4SA 4SB Br1C17H18N3O2 non-polymer 0.00 0.00 4SB 4SC C10H16N3O5P1S1 DNA linking 1.00 0.45 4SC 4SD C5H6N2O1 non-polymer 0.40 0.75 4SD 4SF C9H17N1O2 peptide-like 0.93 1.00 4SF 4SH C22H27N3O3S1 peptide-like 0.00 0.00 4SH 4SJ C12H17N1O2 L-peptide linking 0.50 0.67 4SJ 4SL C27H43N3O4 peptide-like 0.93 0.85 4SL 4SM H1S4 non-polymer 0.00 0.00 4SM 4SN C19H32N2O14S2 non-polymer 1.00 0.38 4SN 4SO C7H7N1O4S1 non-polymer 0.00 0.00 4SO 4SP C18H22N6O3S1 non-polymer 0.00 0.00 4SP 4SQ C8H16N3O6P1 non-polymer 0.00 0.00 4SQ 4SR C16H21N1O3 non-polymer 0.00 0.00 4SR 4SS C28Cl1H28N5O4 non-polymer 0.00 0.00 4SS 4ST C28H30N4O3 non-polymer 0.00 0.00 4ST 4SU C9H13N2O8P1S1 RNA linking 1.00 0.48 4SU 4SV C6H6N2O2 non-polymer 0.00 0.00 4SV 4SX C6H6O5S1 non-polymer 0.00 0.00 4SX 4SY C17H22N4O4 non-polymer 0.56 0.20 4SY 4SZ C19F3H19N2O4 non-polymer 0.56 0.18 4SZ 4T0 C32H35N5O4S1 non-polymer 0.00 0.00 4T0 4T1 C28H27N5O2 non-polymer 0.00 0.00 4T1 4T2 C20H24N4O5 non-polymer 0.56 0.17 4T2 4T3 C17H21N7S1 non-polymer 0.00 0.00 4T3 4T4 C38Cl1H47N4O4 non-polymer 0.58 0.09 4T4 4T5 C17H25N7 non-polymer 0.00 0.00 4T5 4T6 C18Cl1H17N8 non-polymer 0.00 0.00 4T6 4T7 C12H12O2 non-polymer 0.00 0.00 4T7 4T8 C25H44N9O12P1S2 non-polymer 1.00 0.41 4T8 4T9 C18H17N5O2 non-polymer 0.00 0.00 4T9 4TA C20H25N7O20P4 RNA linking 1.00 0.53 4TA 4TB C8H10O2S1 non-polymer 0.00 0.00 4TB 4TC C20H29N7O20P4 non-polymer 1.00 0.39 4TC 4TD C17H36O8 non-polymer 0.80 1.00 4TD 4TE C9H12O5 non-polymer 0.00 0.00 4TE 4TF C12H18O6 non-polymer 0.58 0.44 4TF 4TG C17H27N3O15P2 non-polymer 1.00 0.81 4TG 4TH C33Cl1H34N3O3 non-polymer 0.00 0.00 4TH 4TI Ti1 non-polymer 0.00 0.00 4TI 4TJ C50H66N8O12S2 non-polymer 0.67 0.14 4TJ 4TK Br1C13H17N2O3 non-polymer 0.38 0.11 4TK 4TL C19F3H19N2O3 non-polymer 0.38 0.07 4TL 4TM C17H20N2O3S1 non-polymer 0.38 0.09 4TM 4TN C25H30O4 non-polymer 0.58 0.17 4TN 4TO C26F3H20N5O2 non-polymer 0.00 0.00 4TO 4TP C4H10N1O7P1 non-polymer 0.87 0.69 4TP 4TQ C26F3H22N5O2 non-polymer 0.00 0.00 4TQ 4TR Br1C16H13N6O3S1 non-polymer 0.00 0.00 4TR 4TT C14H13N3 non-polymer 0.00 0.00 4TT 4TU C9Cl1H9N2O1 non-polymer 0.00 0.00 4TU 4TV C23Cl1H24N5O1 non-polymer 0.00 0.00 4TV 4TW C18F1H16N3O3S2 non-polymer 0.00 0.00 4TW 4TX C15H22O3 non-polymer 0.93 0.44 4TX 4TY Br1C13H17N2O4 non-polymer 0.56 0.25 4TY 4TZ C16H14N6O3S1 non-polymer 0.00 0.00 4TZ 4U0 C23H39N1O19 non-polymer 1.00 1.00 4U0 4U1 C25H42N2O19 non-polymer 1.00 1.00 4U1 4U2 C25H42N2O19 non-polymer 1.00 1.00 4U2 4U3 C9Cl1H13N3O7P1 DNA linking 1.00 0.43 4U3 4U5 C17H22N4O3 non-polymer 0.38 0.08 4U5 4U6 C20H24N4O4 non-polymer 0.38 0.07 4U6 4U7 B1C7F2H15N1O5 L-peptide linking 0.93 0.25 4U7 4U8 C28H29N1O3 non-polymer 0.58 0.25 4U8 4U9 Br1C23Cl1F4H11N3 non-polymer 0.00 0.06 4U9 4UA C29H35N3O4S1 non-polymer 0.00 0.00 4UA 4UB C15H11N5 non-polymer 0.00 0.00 4UB 4UC C26H23N3O5S1 non-polymer 0.00 0.00 4UC 4UD C5H8N2O3 L-peptide linking 0.00 0.00 4UD 4UE C15H15N3O2 non-polymer 0.75 0.25 4UE 4UF C24H22N4O5 non-polymer 0.75 0.15 4UF 4UG C9H15N3O2 non-polymer 0.35 0.50 4UG 4UJ C16Cl1H11N2O1S1 non-polymer 0.00 0.00 4UJ 4UK C22Cl1F2H21N4O2 non-polymer 0.00 0.00 4UK 4UL C23F5H22N5O2 non-polymer 0.00 0.00 4UL 4UM C12H12N2O3 non-polymer 0.75 0.29 4UM 4UN C21H21N5O5S1 non-polymer 0.00 0.00 4UN 4UO C10H12N4O6 non-polymer 1.00 0.50 4UO 4UP C19H16N2O1 non-polymer 0.00 0.00 4UP 4UQ C33H40N6O4 non-polymer 1.00 0.35 4UQ 4UR C20H24N10O13P2 non-polymer 1.00 0.22 4UR 4US C25Cl1H23N4O2 non-polymer 0.00 0.00 4US 4UT C27H29N5O2 non-polymer 0.00 0.00 4UT 4UU C19H20N5O9P1 non-polymer 1.00 0.50 4UU 4UV C19H18N5O10P1 non-polymer 1.00 0.49 4UV 4UW C20H22N5O10P1 non-polymer 1.00 0.47 4UW 4UX C28H40N4O7S1 non-polymer 1.00 0.25 4UX 4UY C29H41N3O8S1 non-polymer 1.00 0.24 4UY 4UZ C14H19N1O7 non-polymer 1.00 0.55 4UZ 4V0 C9H12N2O2 non-polymer 0.00 0.00 4V0 4V1 C18H19N3O2S1 non-polymer 0.00 0.00 4V1 4V2 C8H6N2O2S1 non-polymer 0.00 0.00 4V2 4V3 C16H19N1O9S1 non-polymer 1.00 0.44 4V3 4V4 C18H26N4 non-polymer 0.30 0.27 4V4 4V5 C15H21N1O7 non-polymer 1.00 0.74 4V5 4V6 C10Cl1H13N2O2S1 non-polymer 0.00 0.00 4V6 4V7 C23F2H27N7O2 non-polymer 0.00 0.00 4V7 4V8 C23H21N5O1 non-polymer 0.00 0.00 4V8 4V9 C17F1H15N4 non-polymer 0.00 0.00 4V9 4VA C19Cl1F1H23N2O2 non-polymer 0.00 0.00 4VA 4VB C16H15N5O1 non-polymer 0.00 0.00 4VB 4VC C13Cl1H12N3O1 non-polymer 0.00 0.00 4VC 4VD C23F1H20N5O2 non-polymer 0.00 0.00 4VD 4VE C24F1H20N5O2 non-polymer 0.00 0.00 4VE 4VF C24Cl1H26N5O3 non-polymer 0.00 0.00 4VF 4VG C25Cl1H28N5O3 non-polymer 0.00 0.00 4VG 4VJ C25Cl1H28N5O3 non-polymer 0.00 0.00 4VJ 4VK C20H19N1O3S1 non-polymer 0.00 0.00 4VK 4VL C18F1H19N2O3 non-polymer 0.00 0.00 4VL 4VM C28F1H27N4O2 non-polymer 0.00 0.00 4VM 4VN C18Cl1H19N2O3 non-polymer 0.00 0.00 4VN 4VO C28H32N2O2 non-polymer 0.00 0.00 4VO 4VP C8H8O1 non-polymer 0.38 0.22 4VP 4VQ C21H21N3O5 non-polymer 0.00 0.00 4VQ 4VR Br1C15H16N5O1 non-polymer 0.00 0.00 4VR 4VS C10H10N4O1 non-polymer 0.00 0.00 4VS 4VT C14H10N4O1 non-polymer 0.00 0.00 4VT 4VU C12H16N2 non-polymer 0.00 0.00 4VU 4VV C15H26N6O2 non-polymer 0.00 0.00 4VV 4VW C22H26N2O5 non-polymer 0.00 0.00 4VW 4VY Br1C8H11N2O1 non-polymer 0.43 0.42 4VY 4W0 C24F4H17N1O2 non-polymer 0.00 0.00 4W0 4W1 C9H8O1S1 non-polymer 0.00 0.00 4W1 4W4 C18Cl1F1H17N5O1 non-polymer 0.00 0.00 4W4 4W5 C10H10N2O2 non-polymer 0.75 0.36 4W5 4W6 C16H19N5O2 non-polymer 0.00 0.00 4W6 4W9 C30H45N1O5 non-polymer 0.00 0.00 4W9 4WA C12H12N4O2S1 non-polymer 0.00 0.00 4WA 4WC C9H16O3 non-polymer 0.00 0.00 4WC 4WE C25F1H32N7O1 non-polymer 0.36 0.12 4WE 4WF C11H11N3O3 non-polymer 1.00 0.59 4WF 4WG C26H30N6O3 non-polymer 0.00 0.00 4WG 4WH C22H27N3O4S1 non-polymer 0.38 0.07 4WH 4WJ Br1C8H13N3 non-polymer 0.00 0.00 4WJ 4WK C8H18N3O2 non-polymer 0.00 0.00 4WK 4WL C7H5N1O2S1 non-polymer 0.00 0.00 4WL 4WM C16H31N1O4Se1 non-polymer 0.56 0.23 4WM 4WN C15H20N4 non-polymer 0.00 0.00 4WN 4WO C13H18N2O2 non-polymer 0.69 0.35 4WO 4WP C13H17N1O2 non-polymer 0.69 0.38 4WP 4WQ C10H21N1O2 L-peptide linking 0.38 0.15 4WQ 4WR C7F1H11N4O2 non-polymer 1.00 0.57 4WR 4WS C10H18N2O4 non-polymer 1.00 0.75 4WS 4WT C11H15N1 non-polymer 0.00 0.00 4WT 4WU C9H12N2 non-polymer 0.00 0.00 4WU 4WV C7Fe2H4N2O4S2 non-polymer 0.00 0.00 4WV 4WW C8Fe2H6N2O3S2 non-polymer 0.00 0.00 4WW 4WX C7Fe2H4N2O3S3 non-polymer 0.00 0.00 4WX 4WY C10H22O26P6 non-polymer 1.00 0.29 4WY 4WZ C8H24O28P8 non-polymer 1.00 0.27 4WZ 4X1 C12H18N2 non-polymer 0.00 0.00 4X1 4X2 C10H15N4O6P1 non-polymer 0.64 0.38 4X2 4X3 C11H16N2 non-polymer 0.00 0.00 4X3 4X4 C21H18N4O3 non-polymer 0.00 0.00 4X4 4X6 C10H14N2 non-polymer 0.00 0.00 4X6 4X7 C10H16N5O6P1 non-polymer 0.64 0.36 4X7 4X8 C16H20N4 non-polymer 0.00 0.00 4X8 4X9 C20Cl1F3H15N1O3 non-polymer 0.00 0.00 4X9 4XA C22H19N3O2 non-polymer 0.28 0.33 4XA 4XB C23H25N1O5 non-polymer 0.40 0.24 4XB 4XC C13H19N3O1 non-polymer 0.00 0.00 4XC 4XD C12H18N2O1 non-polymer 0.50 0.33 4XD 4XE C11H22N3O1 non-polymer 0.00 0.00 4XE 4XF C8H13N4O1 non-polymer 0.00 0.00 4XF 4XG C14H23N3 non-polymer 0.20 0.18 4XG 4XH Br1C9H6N1 non-polymer 0.00 0.00 4XH 4XJ C14H22N2O2 non-polymer 0.67 0.39 4XJ 4XK C17H26N2O2 non-polymer 0.00 0.00 4XK 4XL C16H25N3O1 non-polymer 0.00 0.00 4XL 4XM C17H26N2O2 non-polymer 0.00 0.00 4XM 4XN C28H29N5O2 non-polymer 0.00 0.00 4XN 4XO C21H16N8 non-polymer 0.00 0.00 4XO 4XP C9H14N6 non-polymer 0.00 0.00 4XP 4XQ C15H26N6 non-polymer 0.00 0.00 4XQ 4XR C6H12N2O2 non-polymer 0.00 0.00 4XR 4XS C8Cl2H8N2 non-polymer 0.00 0.00 4XS 4XU C23Cl1H24N5O1S1 non-polymer 0.00 0.00 4XU 4XV C8Cl1H10N3 non-polymer 0.00 0.00 4XV 4XW C20H36O2 non-polymer 0.00 0.00 4XW 4XX C5H6O3 non-polymer 0.00 0.00 4XX 4XY C11Cl1H16N3 non-polymer 0.00 0.00 4XY 4Y0 C18H17N3O3 non-polymer 0.00 0.00 4Y0 4Y1 C18Cl1H20N5O1S1 non-polymer 0.00 0.00 4Y1 4Y2 C14Cl1H17N4S1 non-polymer 0.00 0.00 4Y2 4Y3 C9F1H15N3O12P3 non-polymer 1.00 0.29 4Y3 4Y5 C22Cl1F5H10N2O3 non-polymer 0.00 0.00 4Y5 4Y6 C23Cl1F4H17N2O3 non-polymer 0.00 0.00 4Y6 4Y7 C21Cl1F4H10N3O4 non-polymer 0.00 0.00 4Y7 4Y8 C3H6O2 non-polymer 0.83 1.00 4Y8 4YA C18H34O10 non-polymer 1.00 0.79 4YA 4YB C21H22N6O10S1 non-polymer 1.00 0.26 4YB 4YC C17Cl1H25N3O1 non-polymer 0.00 0.00 4YC 4YD C11H22N3O1 non-polymer 0.00 0.00 4YD 4YE C15H22N3O1 non-polymer 0.00 0.00 4YE 4YF C14Cl1H20N4O1 non-polymer 0.00 0.00 4YF 4YH C27H38N2O4 non-polymer 0.00 0.06 4YH 4YK C16H11N1O2S1 non-polymer 0.00 0.00 4YK 4YL C18Cl1H28N4O2 non-polymer 0.56 0.24 4YL 4YM C21H22N6O3 non-polymer 0.75 0.17 4YM 4YN C25H35N4O2 non-polymer 0.56 0.19 4YN 4YO Br1C8H7N2O1 non-polymer 0.00 0.00 4YO 4YP C18H25N1O3 non-polymer 0.38 0.36 4YP 4YQ C19H26N2O4S1 non-polymer 0.00 0.00 4YQ 4YR C24F1H25N4O3 non-polymer 0.00 0.00 4YR 4YS C9H7N1O1 non-polymer 0.00 0.00 4YS 4YT C14H15N3O1 non-polymer 0.00 0.00 4YT 4YU C17H20N2O4 non-polymer 0.97 0.43 4YU 4YV C21H27N7O1 non-polymer 0.00 0.00 4YV 4YW C20H27N7O2S1 non-polymer 0.36 0.13 4YW 4YX C22H32N8O1 non-polymer 0.36 0.13 4YX 4YY C26F1H33N4O4S1 non-polymer 0.38 0.06 4YY 4YZ C9Cl1H9O2S1 non-polymer 0.00 0.00 4YZ 4Z0 C9H6O5S1 non-polymer 0.94 0.67 4Z0 4Z1 C8Cl2H6N2O3 non-polymer 0.00 0.00 4Z1 4Z2 C22H28N4O2 non-polymer 0.00 0.00 4Z2 4Z3 Br1C8H7N2O2 non-polymer 0.00 0.00 4Z3 4Z4 C7Cl2F1H3O2 non-polymer 0.00 0.00 4Z4 4Z5 C23F1H29N6O1 non-polymer 0.38 0.06 4Z5 4Z8 C19H26N8O1 non-polymer 0.38 0.21 4Z8 4Z9 C11H11N1O3 non-polymer 0.00 0.00 4Z9 4ZA C7H5N1O2S1 non-polymer 0.00 0.00 4ZA 4ZB C20H26N8O1 non-polymer 0.36 0.14 4ZB 4ZC C7Cl1H4N1O1 non-polymer 0.00 0.00 4ZC 4ZD C9H8O2S1 non-polymer 0.58 0.42 4ZD 4ZE C7H9N1O1 non-polymer 0.00 0.00 4ZE 4ZF C12H9N3O2 non-polymer 0.00 0.00 4ZF 4ZG C19H27N7O2S1 non-polymer 0.38 0.24 4ZG 4ZH C19H26N6O3S1 non-polymer 0.62 0.31 4ZH 4ZJ C20F1H26N7O1 non-polymer 0.36 0.14 4ZJ 4ZK C14Cl2H12N2O3 non-polymer 0.00 0.00 4ZK 4ZL C12H16N2O3 non-polymer 0.61 0.41 4ZL 4ZM C17H19N3O3 non-polymer 0.61 0.30 4ZM 4ZN C14H22N1O4P1 non-polymer 0.00 0.00 4ZN 4ZO C14H19N3O4 non-polymer 0.61 0.33 4ZO 4ZP C17H19N3O3 non-polymer 0.61 0.30 4ZP 4ZQ C21F4H25N7O2 non-polymer 0.29 0.12 4ZQ 4ZR C21F4H25N7O2 non-polymer 0.29 0.12 4ZR 4ZS C26F1H30N7O2S1 non-polymer 0.20 0.08 4ZS 4ZT C15H23N3O3S1 non-polymer 0.55 0.36 4ZT 4ZU Br1C9H6N1O2 non-polymer 0.00 0.00 4ZU 4ZV C9H7N1O2 non-polymer 0.00 0.00 4ZV 4ZW C14H17N3O2 non-polymer 0.00 0.00 4ZW 4ZX C28Cl1H34N5O4S1 non-polymer 0.00 0.00 4ZX 4ZY C7H10N2 non-polymer 0.00 0.00 4ZY 4ZZ C17H20N4O3 non-polymer 0.61 0.29 4ZZ 501 C17Cl1H21N6 non-polymer 0.00 0.00 501 502 C11H16N4O3 non-polymer 0.61 0.39 502 503 C24F1H28N3O5S1 non-polymer 0.55 0.21 503 504 C26H29N5O2S1 non-polymer 0.00 0.00 504 505 C11H17N1O1 non-polymer 0.57 0.38 505 506 C21F2H15N3O4 non-polymer 0.17 0.10 506 507 C19H20N4O2 non-polymer 0.62 0.12 507 508 C31H34N2O1 non-polymer 0.00 0.00 508 509 Br1C13H9O5S1 non-polymer 0.00 0.00 509 50A C5F1H10O7P1 saccharide 1.00 0.64 50A 50B C36H34N1O4 non-polymer 0.00 0.00 50B 50C C10F1H10N3 non-polymer 0.00 0.00 50C 50D C23F2H26N6O1 non-polymer 0.00 0.00 50D 50E C17F3H22N5 non-polymer 0.36 0.16 50E 50F C22H28N6O1 non-polymer 0.00 0.00 50F 50G C31H50N10O18 non-polymer 1.00 0.95 50G 50H C21H19N5O3 non-polymer 0.00 0.00 50H 50I C20H23N7O2 non-polymer 1.00 0.48 50I 50J C29H26N6O4 non-polymer 0.50 0.10 50J 50K C20H22N4O1 non-polymer 0.00 0.00 50K 50L C10H15N5O8P1 RNA linking 1.00 0.42 50L 50M C17H18N4O6 non-polymer 1.00 0.52 50M 50N C10H14N3O10P1 RNA linking 1.00 0.75 50N 50O C20H26N6O3 non-polymer 0.00 0.00 50O 50P C16H14N4O1 non-polymer 0.00 0.00 50P 50Q C12Cl2H8O3 non-polymer 0.00 0.00 50Q 50R C15H11I1N2O2S1 non-polymer 0.50 0.19 50R 50T C10H17N5O11P1V1 non-polymer 1.00 0.36 50T 50U C22H32N4O2 peptide-like 0.00 0.00 50U 50V C23H28N8O1 non-polymer 0.00 0.00 50V 50W C23H27N7O1S1 non-polymer 0.00 0.00 50W 50X C28Cl1F3H26N4O4S1 non-polymer 0.76 0.24 50X 50Y C22H30N6O2 non-polymer 0.56 0.17 50Y 50Z C12H12N4O1S1 non-polymer 1.00 0.72 50Z 510 C12H22N2O12S2 non-polymer 1.00 0.64 510 511 C18Cl1H14N1O4 non-polymer 0.00 0.00 511 512 Br1C7H5O5S1 non-polymer 0.00 0.00 512 513 Br1C9H8N1S1 non-polymer 0.00 0.00 513 514 C14H11N4O2 non-polymer 0.00 0.00 514 515 C40H37N3O10 non-polymer 0.00 0.00 515 516 C29H36N4O2S1 non-polymer 0.45 0.19 516 517 C15H14N4O2 non-polymer 0.00 0.00 517 518 C29H29N3O5 non-polymer 0.41 0.30 518 519 C20H30N6O2 non-polymer 0.36 0.29 519 51B C19H22N6O1S1 non-polymer 0.00 0.00 51B 51C C14H28O6 non-polymer 0.00 0.00 51C 51D C14Cl1F1H7N5 non-polymer 0.00 0.00 51D 51E C16Cl1F1H8N4 non-polymer 0.00 0.00 51E 51F C6H10N2O1 non-polymer 0.00 0.00 51F 51G C21H43N5O7 non-polymer 1.00 0.85 51G 51H C28H49N10O15P1 non-polymer 1.00 0.78 51H 51J C11H12N2O6S2 non-polymer 0.38 0.10 51J 51K C14F6H9N5O1 non-polymer 0.00 0.00 51K 51M C25H28N2O4S1 non-polymer 0.00 0.00 51M 51N C5H13O14P3 non-polymer 1.00 0.45 51N 51O Au1C18H24N8O4 non-polymer 0.00 0.00 51O 51P C16H16N4O2 non-polymer 1.00 0.64 51P 51Q C6H7N3O4S1 non-polymer 1.00 0.93 51Q 51R C7F3H6N1 non-polymer 0.00 0.00 51R 51S C8H11N1 non-polymer 0.00 0.00 51S 51T C9F3H8N1O3 L-peptide linking 0.00 0.00 51T 51U C22H27N3O2 peptide-like 0.00 0.00 51U 51V C7H9N1 non-polymer 0.00 0.00 51V 51W C18H24I1N7O1 non-polymer 0.00 0.00 51W 51X C10H7N1O4 non-polymer 0.00 0.00 51X 51Y C14Cl1H17N2O1 non-polymer 0.00 0.00 51Y 520 C19H16N2O3S1 non-polymer 0.00 0.00 520 521 C12Cl1H9N2O3S2 non-polymer 0.00 0.00 521 522 C34Fe1H34N4O6 non-polymer 0.38 0.04 522 523 C10H19N3O13P3 non-polymer 1.00 0.31 523 524 C22F1H31N6O2 non-polymer 0.20 0.10 524 525 C28F1H37N2O6S1 non-polymer 0.38 0.05 525 526 C28F1H37N2O6S1 non-polymer 0.38 0.05 526 527 Br1C25H25N2O7S2 non-polymer 0.00 0.00 527 528 C23H33N2O6P1S1 non-polymer 0.00 0.00 528 529 C18H19N5O2 non-polymer 0.00 0.00 529 52A C6H10N2O4 non-polymer 0.00 0.00 52A 52B C11Cl2F3H5O3 non-polymer 0.00 0.00 52B 52C C7Cl1H5N4 non-polymer 0.00 0.00 52C 52D C18H20N2O2 non-polymer 0.00 0.00 52D 52E C24Cl1F1H26N4O5 non-polymer 0.73 0.26 52E 52F C11H10N2O3 non-polymer 0.00 0.00 52F 52G C55H85N19O21S2 non-polymer 1.00 0.53 52G 52H C16H24N6O8S1 non-polymer 1.00 0.65 52H 52I C28H32N6O3 non-polymer 0.29 0.14 52I 52J C28H32N6O3 non-polymer 0.29 0.14 52J 52K C17Cl1H17N4O2 non-polymer 0.00 0.00 52K 52L C7H14N1O10P1 non-polymer 1.00 0.74 52L 52M C21H13N1O6S1 non-polymer 0.00 0.00 52M 52N C25H49O19P3 non-polymer 1.00 0.55 52N 52O C26H44N7O17P3S1 non-polymer 1.00 0.50 52O 52P C19Cl2F2H9N3O1S1 non-polymer 0.00 0.00 52P 52Q C10H12N4O4S1 non-polymer 0.00 0.00 52Q 52T C19H26N4O4 non-polymer 0.36 0.15 52T 52U C29H40N2O8S1 non-polymer 0.00 0.00 52U 52V C24H26N4O1 non-polymer 0.00 0.07 52V 52W C29H40N2O9S1 non-polymer 1.00 0.27 52W 52X C14H16I1N3O3 non-polymer 0.00 0.00 52X 52Y C20F1H15N2O4S1 non-polymer 0.97 0.14 52Y 52Z C30H42N2O10S1 non-polymer 1.00 0.26 52Z 530 C16F2H15N5O2 non-polymer 0.00 0.00 530 531 C14H19N1O1 non-polymer 0.00 0.00 531 532 C19H16N4O1S1 non-polymer 0.00 0.00 532 533 C18F2H16N8O2 non-polymer 0.00 0.00 533 534 C27H29N7O2S1 non-polymer 0.00 0.00 534 535 C9H10N2O2S1 non-polymer 0.75 0.36 535 536 C13H16N2O1 non-polymer 0.00 0.00 536 537 C14H8N2O1 non-polymer 0.00 0.00 537 538 C34H32N2O3 non-polymer 0.00 0.00 538 539 C18Cl2H16N4 non-polymer 0.00 0.00 539 53A C18H20N4O5S1 non-polymer 0.75 0.50 53A 53B C6H5N1O3 non-polymer 0.00 0.00 53B 53C C8H8O2 non-polymer 0.62 0.30 53C 53E C9H8O4 non-polymer 0.00 0.00 53E 53F C29H41N3O9S1 non-polymer 1.00 0.26 53F 53G C11H11N3O1 non-polymer 0.50 0.27 53G 53H C16H25N7O7S1 non-polymer 1.00 0.45 53H 53I C28H30N6O3 non-polymer 0.38 0.05 53I 53J C28H30N6O3 non-polymer 0.38 0.05 53J 53K C22H19N3O2 non-polymer 0.00 0.00 53K 53L C17H18N4O6 non-polymer 1.00 0.52 53L 53M C17H18N4O6 non-polymer 1.00 0.52 53M 53N C13H11N1O4S1 non-polymer 0.00 0.00 53N 53O C15H12N2 non-polymer 0.00 0.00 53O 53P C21F1H19N6O2 non-polymer 0.00 0.00 53P 53Q C21Cl1H17O1 non-polymer 0.00 0.09 53Q 53R C22H22N4O1 non-polymer 0.00 0.07 53R 53S C23H24N4O1 non-polymer 0.00 0.07 53S 53T C24H26N4O1 non-polymer 0.00 0.07 53T 53U C21H25N3O2 peptide-like 0.00 0.00 53U 53V C24H26N4O1 non-polymer 0.00 0.07 53V 53W C27H32N4O3 non-polymer 0.00 0.00 53W 53X C15H15N3O2 non-polymer 0.00 0.00 53X 53Y C11H8N2O1 non-polymer 0.00 0.00 53Y 53Z C14H20N4O2 non-polymer 0.00 0.00 53Z 540 C19F1H17N4O1 non-polymer 0.00 0.00 540 541 C25H27N3O4 non-polymer 0.38 0.19 541 542 C26F1H25N6O6 non-polymer 1.00 0.36 542 543 C2Ca1H18O7 non-polymer 0.00 0.00 543 544 C31H30N2O5 non-polymer 0.41 0.32 544 545 C21H33N3O9 non-polymer 1.00 0.58 545 546 C18H17N5O1 non-polymer 0.00 0.00 546 547 C25H26N4O1 non-polymer 0.00 0.00 547 548 C19Cl1F3H14N4 non-polymer 0.00 0.00 548 549 C11H12N2O2 non-polymer 0.36 0.27 549 54B C26F3H26N9O3S1 non-polymer 0.00 0.00 54B 54C C16H20N2O4 L-peptide linking 0.50 0.32 54C 54D C6H6O2S1 non-polymer 0.97 0.44 54D 54E C13Cl1H12N1 non-polymer 0.00 0.00 54E 54F C11H10N2O1 non-polymer 0.00 0.00 54F 54G C8H8O3 non-polymer 0.00 0.00 54G 54H C15H23N7O7S1 non-polymer 1.00 0.33 54H 54J C28F2H33N7O2S1 non-polymer 0.00 0.00 54J 54K C7H8N4 non-polymer 0.00 0.00 54K 54L C5H6O2 non-polymer 0.00 0.00 54L 54M C21H20N4O1 non-polymer 0.00 0.00 54M 54O C3H8O4S1 non-polymer 0.00 0.00 54O 54P C16Cl1H18N1O1 non-polymer 0.00 0.00 54P 54Q C17H18N4O6 non-polymer 1.00 0.52 54Q 54R C18Cl1H21N2O1 non-polymer 0.00 0.00 54R 54S C26Cl1H26N3O4 non-polymer 0.00 0.00 54S 54T C7Cl1H5N2S1 non-polymer 0.00 0.00 54T 54U C12H16N2O2 non-polymer 0.00 0.00 54U 54V C14H20N2O2 non-polymer 0.97 0.22 54V 54W C10H13N1O1 non-polymer 0.00 0.00 54W 54X C10H6N2O1S2 non-polymer 0.00 0.00 54X 54Y C6Cl1H8N3O1 non-polymer 0.50 0.36 54Y 54Z C8Cl1F3H7N1O1 non-polymer 0.00 0.00 54Z 550 C24H24N2O5 non-polymer 0.50 0.26 550 551 C20Cl1H23N2O3 non-polymer 0.56 0.23 551 552 C19Cl1F1H17N3O3 non-polymer 0.00 0.00 552 553 C13F1H14N5O1 non-polymer 0.00 0.00 553 555 C17H13N1O2 non-polymer 0.00 0.00 555 556 C10H10N2S1 non-polymer 0.00 0.00 556 557 C17F3H22N3O3S1 non-polymer 0.00 0.00 557 558 C23Cl1H21N6 non-polymer 0.00 0.00 558 559 C23Cl1H21N6 non-polymer 0.00 0.00 559 55A C30H42N4O5S2 non-polymer 0.00 0.00 55A 55B C11H14O4 non-polymer 0.75 0.20 55B 55C C21H17N1O3 non-polymer 0.38 0.08 55C 55D C9H12N2O2S1 non-polymer 0.00 0.00 55D 55E C17H14N2O2 non-polymer 0.00 0.00 55E 55F C19F1H15N6O1 non-polymer 0.00 0.00 55F 55G C20H13N5O1S1 non-polymer 0.00 0.00 55G 55H C14H9N5O1S1 non-polymer 0.00 0.00 55H 55J C24F6H16N6O1 non-polymer 0.00 0.00 55J 55K C20H22N2O5S1 non-polymer 0.00 0.00 55K 55L C30Cl1H31N4O10 non-polymer 0.00 0.00 55L 55M C20H21N3O4S1 non-polymer 0.00 0.00 55M 55N C10H19N1O4 peptide linking 0.67 1.00 55N 55P C12H17N1O2 non-polymer 0.60 0.47 55P 55Q C38H57N5O7S1 peptide-like 0.60 0.41 55Q 55R C13H10N2O3 non-polymer 0.00 0.00 55R 55S C20H25N5O3S1 non-polymer 0.00 0.00 55S 55T C18H24N4O12P2 non-polymer 1.00 0.28 55T 55U C19H23N5 non-polymer 0.20 0.12 55U 55V C19H24N4O3 non-polymer 0.38 0.08 55V 55W C26H26N7O4P1 non-polymer 0.00 0.00 55W 55X C48H75N7O15P2S1 non-polymer 1.00 0.29 55X 55Y C16H16N4O3S1 non-polymer 0.75 0.12 55Y 561 C25H24N4O5 non-polymer 0.00 0.00 561 562 C12H26N7O4 L-peptide linking 0.67 0.87 562 563 C22H26N8O2 non-polymer 1.00 0.44 563 564 C26H26O3 non-polymer 0.00 0.00 564 565 C16F3H20N3O2 non-polymer 0.00 0.00 565 566 C17H22N2O2 non-polymer 0.00 0.00 566 567 C26H31N7O7S1 non-polymer 0.00 0.00 567 568 C34H40N2O9 non-polymer 1.00 0.49 568 569 C21F4H15N5O2 non-polymer 0.00 0.00 569 56A C20H29N3O2 L-peptide linking 0.00 0.00 56A 56B C17H24N5O10P1 RNA linking 1.00 0.30 56B 56C C14H30N7O5 L-peptide linking 0.88 0.88 56C 56D C10H10O3 non-polymer 0.55 0.62 56D 56E C10H13N1O3S1 non-polymer 0.80 0.60 56E 56F C8Cl1H10N1O2S1 non-polymer 0.00 0.00 56F 56G C22H26N8O2 non-polymer 1.00 0.44 56G 56H C17H24N4O2S2 non-polymer 0.38 0.08 56H 56J C16H14O1 non-polymer 0.00 0.00 56J 56K C10H10N2S1 non-polymer 0.00 0.00 56K 56L C7H10N2O2S1 non-polymer 1.00 0.92 56L 56M C19H25N3O5S1 non-polymer 0.62 0.11 56M 56N C12H16O6 non-polymer 1.00 0.67 56N 56O C30Cl1H32N5O10 non-polymer 0.00 0.00 56O 56P C16F1H26N3O4S1 non-polymer 0.38 0.24 56P 56Q C11F1H15N2O4S1 non-polymer 0.45 0.37 56Q 56R C18F1H22N3O4S1 non-polymer 0.38 0.22 56R 56S C15H30O2 non-polymer 0.62 0.47 56S 56T C6H9N1O1 non-polymer 0.00 0.00 56T 56U C8F2H6N2 non-polymer 0.00 0.00 56U 56V C9H8N2O1S1 non-polymer 0.00 0.00 56V 56W C14H25N2O9P1 non-polymer 0.58 0.38 56W 56Y C19H23N3O3 non-polymer 0.62 0.28 56Y 56Z C17H16N4O4S2 non-polymer 1.00 0.37 56Z 570 C34H30N2O5 non-polymer 0.00 0.00 570 571 C25H27N6O3 non-polymer 0.00 0.00 571 572 C11H19N5O3S1 non-polymer 0.00 0.00 572 573 C17F2H14I1N3O4 non-polymer 0.76 0.30 573 574 B1C18H22N6O8P1 RNA linking 1.00 0.29 574 575 Br1C21H20N3O2 non-polymer 0.00 0.00 575 576 C18H18O3 non-polymer 0.00 0.00 576 577 C21F1H16N3O1S1 non-polymer 0.00 0.00 577 578 C21H27N2O7P1 non-polymer 0.47 0.68 578 579 C20F1H24N3O5S1 non-polymer 0.62 0.10 579 57C C23H31N3O4S1 non-polymer 0.62 0.10 57C 57D C15H10O4 non-polymer 0.00 0.00 57D 57E C19H21N3O4S1 non-polymer 0.62 0.11 57E 57F C21H29N3O5S1 non-polymer 0.62 0.10 57F 57G C20H27N3O6S1 non-polymer 0.97 0.13 57G 57H C3H7O3P1 non-polymer 0.42 0.43 57H 57J C24H25N3O3 non-polymer 0.00 0.00 57J 57K C21H28N4O3 non-polymer 0.56 0.18 57K 57L C24H34N4O3 non-polymer 0.55 0.19 57L 57M C37H61N11O16 non-polymer 1.00 0.50 57M 57N C19H15N3O2S1 non-polymer 0.00 0.00 57N 57O C9H11N1O4 non-polymer 0.00 0.00 57O 57P C26H23N1O2 non-polymer 0.00 0.00 57P 57Q C17H15N1O2 non-polymer 0.00 0.00 57Q 57R C19H26N4O4 non-polymer 0.36 0.15 57R 57S C13H26N1O13P1 non-polymer 1.00 0.86 57S 57T C18H12I2O4S2 non-polymer 0.93 0.35 57T 57U C11H14N4O2S1 non-polymer 0.00 0.00 57U 57V C17H17N5O1S1 non-polymer 0.25 0.08 57V 57W C20H18N6O1 non-polymer 0.00 0.00 57W 57X C17H15N5O1S1 non-polymer 0.00 0.00 57X 57Y C19H16N4O4S1 non-polymer 0.00 0.00 57Y 57Z C21H23N3O3S1 non-polymer 0.50 0.18 57Z 580 C18F1H16N3 non-polymer 0.00 0.00 580 581 C13H11N3O5 non-polymer 1.00 0.67 581 582 C13H13N3O1 non-polymer 0.00 0.00 582 583 C15H12N2O2 non-polymer 0.00 0.00 583 584 C19F2H23N5O2 non-polymer 0.00 0.00 584 585 C22F1H23N6O5 non-polymer 1.00 0.24 585 586 C43F2H51N5O9S1 non-polymer 0.59 0.38 586 587 C52H76N2O13 non-polymer 1.00 0.36 587 588 C27H32N4O9S1 non-polymer 0.29 0.12 588 589 C28H31N5O2 non-polymer 0.00 0.00 589 58A C48H85N3O15P2 non-polymer 1.00 0.57 58A 58B C8H15N3O4 non-polymer 0.00 0.00 58B 58C C21H21N5O2 non-polymer 0.00 0.00 58C 58D C18H18N2O3 non-polymer 0.00 0.00 58D 58E C20H22N4O1 non-polymer 0.00 0.00 58E 58F C25H23I1N6 non-polymer 0.00 0.00 58F 58G C17H19N3O1 non-polymer 0.00 0.00 58G 58H C28Cl1F1H26N4O3 non-polymer 0.97 0.30 58H 58J C18H16N2O3 non-polymer 0.00 0.00 58J 58K C17H16N2O2 non-polymer 0.00 0.00 58K 58L C16H14N2O2 non-polymer 0.00 0.00 58L 58N C17H22N4O1 non-polymer 0.39 0.23 58N 58O C24F3H23N6O1S1 non-polymer 0.00 0.00 58O 58P C26F3H27N6O2S1 non-polymer 0.00 0.00 58P 58Q C29F3H29N8O1S1 non-polymer 0.00 0.00 58Q 58R C25F3H24N7O1S1 non-polymer 0.00 0.00 58R 58T C17H19N5O4 non-polymer 0.00 0.00 58T 58U C8H10O5 non-polymer 0.62 1.00 58U 58V C23Cl1H22N7O2 non-polymer 0.00 0.00 58V 58W C17Cl1H16N1O3 non-polymer 0.00 0.00 58W 58X C10H16O2 non-polymer 0.55 0.83 58X 58Y C8H15N1O4S1 non-polymer 1.00 0.79 58Y 58Z C16H20N2O3 non-polymer 0.00 0.00 58Z 590 C20H27N11O7S2 non-polymer 1.00 0.25 590 591 C19H19N7O1 non-polymer 0.00 0.00 591 592 C29H32N4O3 non-polymer 0.00 0.00 592 593 C20H25N3O1 non-polymer 0.00 0.00 593 594 C20F1H27N8O7S2 non-polymer 1.00 0.24 594 595 C35H46N4O6S1 non-polymer 0.00 0.00 595 596 C22H22N4O3 non-polymer 0.19 0.31 596 598 C25H24N2O7S3 non-polymer 0.00 0.00 598 599 C29Cl2H30N4O3 non-polymer 0.00 0.05 599 59A C12H19N1O6 non-polymer 0.65 1.00 59A 59B C19H17N7O2 non-polymer 0.00 0.00 59B 59C C32H45N3O8 non-polymer 0.36 0.09 59C 59D C28F1H28N5O3 non-polymer 0.00 0.00 59D 59E C23H21N5O3 non-polymer 0.62 0.19 59E 59F C23H29N5O8S1 non-polymer 0.00 0.00 59F 59G C28Cl2H21N1O4S1 non-polymer 0.00 0.00 59G 59H C20H25N5O6S1 non-polymer 0.00 0.00 59H 59J C23H27N5O9S1 non-polymer 0.00 0.00 59J 59K C15F3H15N6S2 non-polymer 0.00 0.00 59K 59L C15H12N2O6 non-polymer 0.00 0.00 59L 59M C15F4H14N6S2 non-polymer 0.00 0.00 59M 59N C27Cl1H30N7O1 non-polymer 0.00 0.00 59N 59Q C15F5H13N6S2 non-polymer 0.00 0.00 59Q 59R C20F1H27N4O1 non-polymer 0.00 0.00 59R 59T C25Cl1H25N6O3 non-polymer 0.00 0.00 59T 59U C28Cl1H32N7O1 non-polymer 0.00 0.00 59U 59V C15F6H12N6S2 non-polymer 0.00 0.00 59V 59W C20F1H27N4O1 non-polymer 0.00 0.00 59W 59X C17F1H22N5S2 non-polymer 0.00 0.00 59X 59Y C20H13N1O2 non-polymer 0.00 0.00 59Y 59Z C16H15N2O6P1 non-polymer 0.00 0.00 59Z 5A0 C17F2H21N5S2 non-polymer 0.00 0.00 5A0 5A1 C17F5H18N5S2 non-polymer 0.00 0.07 5A1 5A2 C8H24O28P8 non-polymer 1.00 0.27 5A2 5A3 C7H21O26P7 non-polymer 1.00 0.30 5A3 5A6 C11H20N4O3 peptide linking 0.00 0.00 5A6 5A7 C23H19N2O4P1 non-polymer 0.17 0.17 5A7 5A8 C22H24N10O4S1 non-polymer 1.00 0.27 5A8 5A9 Br1C20H22N9O4S1 non-polymer 1.00 0.29 5A9 5AA C12H19N6O6P1 RNA linking 1.00 0.40 5AA 5AB B1C7H17N1O5 L-peptide linking 0.93 0.57 5AB 5AC C4H6N4O1 non-polymer 0.00 0.00 5AC 5AD C10H13N5O3 non-polymer 1.00 0.50 5AD 5AE C8H12N4O5 non-polymer 1.00 0.59 5AE 5AF C28H40N4O1 non-polymer 0.00 0.00 5AF 5AG C22H23N9O4S1 non-polymer 1.00 0.28 5AG 5AH C40H47N5O6 non-polymer 0.38 0.04 5AH 5AJ C21H23N11O4S1 non-polymer 1.00 0.27 5AJ 5AK Br1C20H23N6O5S1 non-polymer 1.00 0.30 5AK 5AL C13H19N6O8P1 non-polymer 1.00 0.61 5AL 5AM C31H42N6O5 non-polymer 0.00 0.00 5AM 5AN C6F2H5N1 non-polymer 0.00 0.00 5AN 5AO C9H8N2O1 non-polymer 0.00 0.00 5AO 5AP C19Cl2H18N4O2 non-polymer 0.00 0.00 5AP 5AQ C20H24N6O5S1 non-polymer 1.00 0.31 5AQ 5AR C10H18N4O3 non-polymer 0.00 0.00 5AR 5AS C12H18N6O6S1 non-polymer 1.00 0.40 5AS 5AT C10H15N3O4 DNA linking 1.00 0.53 5AT 5AU As1C26H37N6O12S2 non-polymer 0.00 0.00 5AU 5AV C12Cl1H12N5S1 non-polymer 0.00 0.00 5AV 5AW C25H40N6O4S2 non-polymer 0.00 0.00 5AW 5AX C8H15N1O5 non-polymer 1.00 1.00 5AX 5AY C20H21N7O1 non-polymer 0.00 0.00 5AY 5AZ C3H4N4O1 non-polymer 0.00 0.00 5AZ 5B0 C9H14N1O5P1 non-polymer 0.00 0.00 5B0 5B1 Br1C7H6N3 non-polymer 0.00 0.00 5B1 5B2 C13H11N3 non-polymer 0.00 0.00 5B2 5B3 C17H20N4O2S1 non-polymer 0.39 0.21 5B3 5B4 C26F3H20N5O3 non-polymer 0.00 0.00 5B4 5B5 C31H45N3O8S1 non-polymer 1.00 0.23 5B5 5B6 C19H19N4O6P1 non-polymer 0.00 0.00 5B6 5B7 C30H42N2O9S1 non-polymer 1.00 0.26 5B7 5B8 C39H56N2O8 non-polymer 0.00 0.00 5B8 5B9 C18H14O3 non-polymer 0.00 0.00 5B9 5BA Br1C23H31N4O3 non-polymer 0.58 0.13 5BA 5BB Br1C25H37N4O4S1 non-polymer 0.00 0.00 5BB 5BC C35H33N1O5 non-polymer 0.83 0.12 5BC 5BD C22H24N4O4 non-polymer 0.20 0.10 5BD 5BE C21H28N6O1 non-polymer 0.00 0.00 5BE 5BF C36H37N3O6 non-polymer 0.00 0.00 5BF 5BG C42H54N2O10 non-polymer 0.00 0.00 5BG 5BH C29H43N3O6 non-polymer 0.00 0.00 5BH 5BJ C19H13N1O2 non-polymer 0.00 0.00 5BJ 5BK C17H12N2O2 non-polymer 0.00 0.00 5BK 5BL C24H16N2O2 non-polymer 0.00 0.00 5BL 5BM C18H16N6S2 non-polymer 0.00 0.31 5BM 5BN C17F1H15N4O1 non-polymer 0.00 0.00 5BN 5BO Br1C20H27N4O4S1 non-polymer 0.58 0.13 5BO 5BP C13H12N6 non-polymer 0.00 0.00 5BP 5BQ C14Cl1H13O5S1 non-polymer 0.00 0.00 5BQ 5BR Br1C5H11 non-polymer 0.00 0.00 5BR 5BS C17H16N6O3S2 non-polymer 0.00 0.00 5BS 5BT Br1C9H12N3O4 non-polymer 1.00 0.53 5BT 5BU Br1C9H12N2O9P1 RNA linking 1.00 0.45 5BU 5BV C12H23N1O4 non-polymer 0.70 0.76 5BV 5BW C19H19N3O2 non-polymer 0.29 0.21 5BW 5BX C14H15N3O2 non-polymer 0.00 0.00 5BX 5BY B1C28H42N5O9 non-polymer 0.99 0.33 5BY 5BZ B1C20H29N2O4 non-polymer 0.00 0.00 5BZ 5C0 C21H22N4O2 non-polymer 0.29 0.19 5C0 5C1 C10Cl1H7N2O3 non-polymer 0.00 0.00 5C1 5C2 C18H17N5O2S1 non-polymer 0.36 0.15 5C2 5C3 C14H20N2O3S1 non-polymer 0.00 0.00 5C3 5C4 C27H23N1O2 non-polymer 0.38 0.07 5C4 5C5 C25H25N1O3S1 non-polymer 0.00 0.00 5C5 5C6 C32H27N1O2 non-polymer 0.00 0.06 5C6 5C7 C25H26O2 non-polymer 0.38 0.15 5C7 5C8 C25H20O2 non-polymer 0.38 0.07 5C8 5C9 C29H27N1O2 non-polymer 0.00 0.06 5C9 5CA C13H19N7O7S2 non-polymer 1.00 0.34 5CA 5CB C22Cl2H23N5O2S1 non-polymer 0.00 0.00 5CB 5CC C28H25N1O2 non-polymer 0.00 0.06 5CC 5CD C10Cl1H12N5O3 non-polymer 1.00 0.47 5CD 5CE C17F3H21O2 non-polymer 0.00 0.00 5CE 5CF C9F1H13N3O8P1 RNA linking 1.00 0.77 5CF 5CG C10Cl1H12N5O4 RNA linking 1.00 0.45 5CG 5CH C18Cl1H15N2O2S1 non-polymer 0.00 0.00 5CH 5CI Br1C16H19N6O9 non-polymer 1.00 0.69 5CI 5CJ C16F3H19O2 non-polymer 0.00 0.00 5CJ 5CK C16F2H20O2 non-polymer 0.00 0.00 5CK 5CL C6Cl5H1 non-polymer 0.00 0.00 5CL 5CM C10H16N3O7P1 DNA linking 1.00 0.43 5CM 5CN C19H21N3O3 non-polymer 0.22 0.24 5CN 5CO C20Cl1H27N4O4S1 non-polymer 0.58 0.13 5CO 5CP C19H20N8 non-polymer 1.00 0.33 5CP 5CQ C17H24O2 non-polymer 0.00 0.00 5CQ 5CR C11H13N1O3 L-peptide linking 0.50 0.67 5CR 5CS C8H15N3O5S1 L-peptide linking 0.00 0.00 5CS 5CT C10H23N3O3 peptide linking 0.00 0.00 5CT 5CU C5H4N2O4 non-polymer 1.00 1.00 5CU 5CV C31H34N6O3 non-polymer 0.55 0.18 5CV 5CW C11Cl1H11N2O2 L-peptide linking 0.00 0.00 5CW 5CX C15H17N1O2S1 non-polymer 0.00 0.00 5CX 5CY C31H39N2O2 non-polymer 0.25 0.11 5CY 5CZ C22H19N5O1 non-polymer 0.00 0.00 5CZ 5D0 C25H32N4O2 non-polymer 0.00 0.00 5D0 5D1 C28H35N3O3 non-polymer 0.00 0.00 5D1 5D2 C25Cl1H33N8O1 non-polymer 0.00 0.00 5D2 5D4 C10H20N2O2 non-polymer 0.00 0.00 5D4 5D5 C26H45N1O6S1 non-polymer 0.00 0.00 5D5 5D6 C25H37N3O10 non-polymer 1.00 0.68 5D6 5D7 C12H19N5O2S1 non-polymer 0.62 0.30 5D7 5D8 C18H23N7O3S2 non-polymer 0.75 0.17 5D8 5D9 C19H25N7O3S2 non-polymer 0.75 0.16 5D9 5DA C24H27N9O3S2 non-polymer 0.00 0.00 5DA 5DB C11H17N2O8P1 DNA linking 1.00 0.41 5DB 5DD C18H24N3O9P1 non-polymer 1.00 0.32 5DD 5DE C14H17N3O2 non-polymer 0.75 0.26 5DE 5DF C18H16N2O3S1 non-polymer 0.00 0.00 5DF 5DG C27F1H22N1O2 non-polymer 0.38 0.06 5DG 5DH C21H15N1O2 non-polymer 0.08 0.25 5DH 5DI C6F1H9O5 D-saccharide 1.00 0.92 5DI 5DJ C20H16O2 non-polymer 0.12 0.09 5DJ 5DK C14H22N5O7P1 non-polymer 0.50 0.30 5DK 5DL C5H10N3O4P1 non-polymer 0.00 0.00 5DL 5DM C14H22N2O2S1 peptide-like 0.00 0.00 5DM 5DN Br1C16F1H9N1O2 non-polymer 0.00 0.00 5DN 5DP C27H46N2O16 non-polymer 1.00 0.71 5DP 5DQ C18F3H17N4O2S1 non-polymer 0.00 0.00 5DQ 5DR C22H22N4O1 non-polymer 0.00 0.07 5DR 5DS C5H11N5O2S2 non-polymer 0.20 0.21 5DS 5DT C21F3H19N2O2S2 non-polymer 0.00 0.00 5DT 5DU C17F3H17N2O3S2 non-polymer 0.00 0.00 5DU 5DV C20Cl1H19N3O3P1 non-polymer 0.00 0.00 5DV 5DW C11H11N1O2 L-peptide linking 0.00 0.00 5DW 5DX Br1C13H12N3O4 non-polymer 0.00 0.00 5DX 5DY C16F1H18N3O4 non-polymer 0.00 0.00 5DY 5DZ C13F1H12N3O4 non-polymer 0.00 0.00 5DZ 5E0 C13H13N3O4 non-polymer 0.00 0.00 5E0 5E1 Br1C16H10N1O2 non-polymer 0.00 0.00 5E1 5E2 Br1C16Cl1H9N1O2 non-polymer 0.00 0.00 5E2 5E4 Br1C13H10N1O2 non-polymer 0.00 0.00 5E4 5E5 C12H10N4 non-polymer 0.00 0.00 5E5 5E6 C22H23N7 non-polymer 0.00 0.00 5E6 5E7 C36H49N5O7S1 non-polymer 0.46 0.51 5E7 5E8 C21H28N2O4 non-polymer 0.75 0.19 5E8 5E9 C26F1H36N3O5 non-polymer 0.75 0.14 5E9 5EA C20F3H19I1N5O2 non-polymer 0.00 0.00 5EA 5EB C26H35N3O5 non-polymer 0.75 0.15 5EB 5EC C25H35N3O5 non-polymer 0.75 0.15 5EC 5ED C27H36N4O6 non-polymer 0.75 0.57 5ED 5EE C14Cl2H10N2O3S4 non-polymer 0.00 0.00 5EE 5EF C17F3H17N2O5S2 non-polymer 0.00 0.00 5EF 5EG C17Cl2H15N7O3 non-polymer 0.00 0.00 5EG 5EH C19H21N1O1 non-polymer 0.20 0.14 5EH 5EJ C12H19N2O8P1 DNA linking 1.00 0.39 5EJ 5EK C24Cl2H18N8O2 non-polymer 0.00 0.00 5EK 5EL C28H27N3O3 non-polymer 0.00 0.06 5EL 5EM C22H22N4O3 non-polymer 0.38 0.38 5EM 5EN C22F2H19N3O4 non-polymer 0.43 0.35 5EN 5EO C20H28N4O4S1 non-polymer 0.58 0.14 5EO 5EP C23H23N3O3 non-polymer 0.43 0.38 5EP 5EQ C12H9N1O4 non-polymer 0.94 0.47 5EQ 5ER C12H9N1O4 non-polymer 0.94 0.47 5ER 5ES C26F1H20N1O2 non-polymer 0.15 0.17 5ES 5ET C16Cl2H10O2S1 non-polymer 0.00 0.00 5ET 5EU C17Cl2H12O2S1 non-polymer 0.00 0.00 5EU 5EV C26H23N5O1 non-polymer 0.00 0.00 5EV 5EW C26Cl1H24N7O1 non-polymer 0.00 0.00 5EW 5EX C27H36N4O6 non-polymer 0.75 0.57 5EX 5EY C22H20O7 non-polymer 0.00 0.00 5EY 5EZ C14Cl1H15N2O2 non-polymer 0.00 0.00 5EZ 5F1 C10F1H12N5O2 non-polymer 0.00 0.00 5F1 5F2 C22H29N3O5 non-polymer 0.75 0.17 5F2 5F3 C17H12N2O2 non-polymer 0.00 0.00 5F3 5F4 C13Cl2H10N2O2 non-polymer 0.50 0.21 5F4 5F5 C10H7N1O2S1 non-polymer 0.00 0.00 5F5 5F6 C16Cl2H9N1O1 non-polymer 0.00 0.00 5F6 5F7 C17Cl2H14N2O1 non-polymer 0.00 0.00 5F7 5F8 C12H9N1O2 non-polymer 0.00 0.00 5F8 5F9 C41H74N7O17P3S1 non-polymer 1.00 0.33 5F9 5FA C10H18N5O19P5 RNA linking 1.00 0.26 5FA 5FB C19F3H13N2O4S1 non-polymer 0.00 0.00 5FB 5FC C10H14N3O8P1 DNA linking 1.00 0.82 5FC 5FD C10F1H14N5O3 non-polymer 1.00 0.47 5FD 5FE C29F6H47N5O9 peptide-like 0.62 0.31 5FE 5FF C24F3H25N4O2 non-polymer 0.00 0.00 5FF 5FH C10H10N2O2 non-polymer 0.00 0.00 5FH 5FI C19F3H21N6 non-polymer 0.00 0.00 5FI 5FJ C21F3H24N7O2 non-polymer 0.50 0.21 5FJ 5FK C22F4H21N5O1 non-polymer 0.00 0.00 5FK 5FL C12H9N1O2 non-polymer 0.00 0.00 5FL 5FN C8F1H12N1O5 non-polymer 1.00 0.80 5FN 5FO C20F1H27N4O4S1 non-polymer 0.58 0.13 5FO 5FP C28F6H45N5O9 peptide-like 0.55 0.29 5FP 5FQ C8H18N2O1 L-peptide linking 0.00 0.00 5FQ 5FR C30Cl1H34N7O3 non-polymer 0.00 0.00 5FR 5FS C18H16O4S1 non-polymer 0.00 0.00 5FS 5FT C26H24O6S2 non-polymer 0.00 0.00 5FT 5FU C9F1H12N2O9P1 RNA linking 1.00 0.77 5FU 5FV C26H24O6S2 non-polymer 0.00 0.00 5FV 5FW C11H17N1O3 non-polymer 0.36 0.27 5FW 5FX C5F1H9O4 non-polymer 0.98 0.90 5FX 5FY C26H24O7S2 non-polymer 0.00 0.00 5FY 5G0 C15H19N3O7 non-polymer 1.00 0.60 5G0 5G1 C7Cl1H7N2O1 non-polymer 0.00 0.00 5G1 5G2 C16Cl2H10O4S1 non-polymer 0.00 0.00 5G2 5G3 C19Cl1H14N1O3 non-polymer 0.00 0.00 5G3 5G4 C20H17N1O3 non-polymer 0.00 0.00 5G4 5G5 C19Cl1H14N1O2 non-polymer 0.00 0.00 5G5 5G6 C19H15N1O2 non-polymer 0.00 0.00 5G6 5G7 C20H17N1O2 non-polymer 0.00 0.00 5G7 5G8 C14Cl2H16N2O1 non-polymer 0.00 0.00 5G8 5G9 C17Cl1H11N4S1 non-polymer 0.00 0.00 5G9 5GA C17Cl1F1H10N4S1 non-polymer 0.00 0.00 5GA 5GB C18H14N4S1 non-polymer 0.00 0.00 5GB 5GC C7H13N3O2S2 non-polymer 1.00 0.43 5GC 5GD C24H29N3O4 non-polymer 0.00 0.00 5GD 5GF C6F1H11O6 D-saccharide 1.00 0.92 5GF 5GG C10H23N3O2 L-peptide linking 0.00 0.00 5GG 5GH C20H26N2O4 non-polymer 0.75 0.19 5GH 5GI C22F1H25N4O5 non-polymer 0.35 0.44 5GI 5GJ C15H19N1O2 non-polymer 0.00 0.00 5GJ 5GL C13H20N2O1S1 non-polymer 0.00 0.00 5GL 5GM C8H17N1O2 L-peptide linking 0.93 0.73 5GM 5GN Br1C22H19N4O1S2 non-polymer 0.00 0.00 5GN 5GO C12H22O14S1 non-polymer 1.00 0.85 5GO 5GP C10H14N5O8P1 non-polymer 1.00 0.42 5GP 5GQ C9H12N2O1 non-polymer 0.00 0.00 5GQ 5GR C28H27N7O2S2 non-polymer 0.00 0.00 5GR 5GS C10H16N2O12P2 non-polymer 1.00 0.42 5GS 5GT C9F3H7N2O1 non-polymer 0.00 0.00 5GT 5GU Br1C8H7N2O1 non-polymer 0.00 0.00 5GU 5GV C11H12N2O3 non-polymer 0.00 0.00 5GV 5GW C15H18N2O12P2 non-polymer 1.00 0.32 5GW 5GX C21Cl1H18N7 non-polymer 0.00 0.00 5GX 5GY C14F1H22N4O8P2S1 non-polymer 0.00 0.00 5GY 5GZ C18Cl1H22N3O5S1 non-polymer 0.00 0.00 5GZ 5H Br1C16H13N2O3S3 non-polymer 0.00 0.00 5H 5H1 C8H7N1O1 non-polymer 0.00 0.00 5H1 5H2 C22Cl1H17N4O3S1 non-polymer 0.00 0.00 5H2 5H3 C20F1H20N3S1 non-polymer 0.00 0.00 5H3 5H4 C22F1H24N3S1 non-polymer 0.00 0.00 5H4 5H5 C19H22N6O3 non-polymer 0.57 0.36 5H5 5H6 C8Cl1H4N1O3S1 non-polymer 0.00 0.00 5H6 5H7 C24F3H23N4O1 non-polymer 0.00 0.00 5H7 5H8 C21H34N3O7P1 non-polymer 0.58 0.78 5H8 5H9 C22H36N3O7P1 non-polymer 0.44 0.70 5H9 5HA C31H38N4O5S1 non-polymer 0.31 0.20 5HA 5HB C24H28N2O2S1 non-polymer 0.00 0.00 5HB 5HC C10H16N3O8P1 DNA linking 1.00 0.82 5HC 5HD C11H24O3 non-polymer 0.00 0.00 5HD 5HE C20H30O3 non-polymer 0.46 0.83 5HE 5HF C26H32N2O3S1 non-polymer 0.50 0.16 5HF 5HG C8H12N5O4P1 non-polymer 0.00 0.00 5HG 5HH C23H26N2O2S1 non-polymer 0.00 0.00 5HH 5HI C28F1H34N3O6 non-polymer 0.38 0.24 5HI 5HJ C13H15N1O2S1 non-polymer 0.00 0.00 5HJ 5HK C24H22N4O5 non-polymer 0.20 0.09 5HK 5HL C15H18N2O1 non-polymer 0.00 0.00 5HL 5HM C10H16N3O9P1 RNA linking 1.00 0.83 5HM 5HN C6H5N1O3 non-polymer 0.00 0.00 5HN 5HO C11Cl1H12N3O2 non-polymer 0.00 0.00 5HO 5HP C5H7N1O3 L-peptide linking 0.00 0.00 5HP 5HQ C10H10N2O1 non-polymer 0.00 0.00 5HQ 5HR C9H15N2O3P1 non-polymer 0.00 0.00 5HR 5HS C11H12N2O1 non-polymer 0.00 0.00 5HS 5HT C10H16N2O6 DNA linking 1.00 1.00 5HT 5HU C10H15N2O9P1 DNA linking 1.00 0.82 5HU 5HW C20H22O2 non-polymer 0.00 0.00 5HW 5HX C22H24O1 non-polymer 0.00 0.00 5HX 5HY C5H6N2O4 non-polymer 0.00 0.00 5HY 5HZ C22H24O2 non-polymer 0.00 0.00 5HZ 5I1 C30Cl1H34N7O2 non-polymer 0.20 0.07 5I1 5I5 C11H13I1N4O3 non-polymer 1.00 0.47 5I5 5IC C9H13I1N3O8P1 RNA linking 1.00 0.45 5IC 5ID C11H13I1N4O4 non-polymer 1.00 0.50 5ID 5IG C20H27N5O3 non-polymer 0.56 0.18 5IG 5IM C8H13N3S1 non-polymer 0.00 0.00 5IM 5IN C28H33N5O6S1 non-polymer 0.50 0.32 5IN 5IO C20H27I1N4O4S1 non-polymer 0.58 0.13 5IO 5IP C6H17O21P5 non-polymer 1.00 0.38 5IP 5IQ C9H8N2 non-polymer 0.00 0.00 5IQ 5IR C18H26Ir1N5O4S2 non-polymer 0.00 0.00 5IR 5IT C9H12I1N2O8P1 DNA linking 1.00 0.43 5IT 5IU C9H12I1N2O8P1 DNA linking 1.00 0.43 5IU 5J0 C22H24O2 non-polymer 0.00 0.00 5J0 5J1 C22H26O2 non-polymer 0.00 0.00 5J1 5J2 C19F1H14N1O3 non-polymer 0.00 0.00 5J2 5J4 C14H9N3O1S2 non-polymer 0.00 0.00 5J4 5J5 C14Cl1H12N3O7S2 non-polymer 0.00 0.00 5J5 5J6 Br1C20F1H18N4O3S1 non-polymer 0.97 0.13 5J6 5J7 C36H36O20 non-polymer 1.00 0.43 5J7 5J8 C21H32N7O17P3 non-polymer 1.00 0.48 5J8 5J9 C17H19N11O4 non-polymer 1.00 0.31 5J9 5JA C29H37N9O1 non-polymer 0.50 0.13 5JA 5JB C48H76N7O18P3S1 non-polymer 1.00 0.30 5JB 5JD C6Cl2H4O1 non-polymer 0.00 0.00 5JD 5JE C10H8N4 non-polymer 0.00 0.00 5JE 5JF C6Cl2H4O1 non-polymer 0.00 0.00 5JF 5JG C20Cl1F1H23N5O2 non-polymer 0.00 0.00 5JG 5JJ C20Cl2H17N3 non-polymer 0.00 0.08 5JJ 5JK C27H46O2 non-polymer 0.00 0.00 5JK 5JL C5H4N4O1S2 non-polymer 0.00 0.00 5JL 5JM C26Cl1H21N6O4 non-polymer 0.29 0.14 5JM 5JN C22H26N2O7 non-polymer 0.75 0.32 5JN 5JO C13H16N5O7P1 RNA linking 1.00 0.38 5JO 5JP C4H9N1O3 non-polymer 0.84 0.88 5JP 5JQ C5H4N4O2S1 non-polymer 0.00 0.00 5JQ 5JT C11H15N5 non-polymer 0.00 0.00 5JT 5JU C32Cl1H36N9O2S1 non-polymer 0.00 0.00 5JU 5JV C13H17N2O7P1 non-polymer 0.56 0.30 5JV 5JW C15Cl2H9N1O3 non-polymer 0.00 0.00 5JW 5JX C20F1H21O2 non-polymer 0.00 0.00 5JX 5JY C21H24O2 non-polymer 0.00 0.00 5JY 5JZ C36H38N8O5 non-polymer 1.00 0.18 5JZ 5K0 C20H22O2 non-polymer 0.00 0.00 5K0 5K1 C20H22O2S1 non-polymer 0.00 0.00 5K1 5K2 C23H20O2 non-polymer 0.00 0.00 5K2 5K3 C10H14O3 non-polymer 0.69 0.46 5K3 5K4 C21H24O2 non-polymer 0.00 0.00 5K4 5K5 C23H26O2 non-polymer 0.00 0.00 5K5 5K7 C22H24O4 non-polymer 0.62 0.23 5K7 5K8 C24H26O6 non-polymer 0.62 0.40 5K8 5KA C25F1H31O3 non-polymer 0.54 0.24 5KA 5KB C25H24O2 non-polymer 0.00 0.00 5KB 5KD C26H26O3 non-polymer 0.00 0.00 5KD 5KE C25H24O3 non-polymer 0.00 0.00 5KE 5KF C21H24O3 non-polymer 0.00 0.00 5KF 5KG C21H24O3 non-polymer 0.00 0.00 5KG 5KH C25F3H19N2O3 non-polymer 0.00 0.00 5KH 5KJ C7H16N4O3 non-polymer 0.54 0.71 5KJ 5KK C12H30N8 non-polymer 0.00 0.00 5KK 5KL C11H13N1O2 non-polymer 0.40 0.57 5KL 5KN C14H21N3O2 non-polymer 0.00 0.00 5KN 5KO C4H8O2 non-polymer 0.75 1.00 5KO 5KP C24Cl1H24N5O2 non-polymer 0.00 0.00 5KP 5KQ C13H22N2O9 non-polymer 1.00 1.00 5KQ 5KR Br1C21H17N2O5S1 non-polymer 0.00 0.00 5KR 5KS C28F2H30N6O8S1 D-saccharide 1.00 0.49 5KS 5KT C24H28N6O8S3 D-saccharide 1.00 0.54 5KT 5KU C18H31N5O10 non-polymer 1.00 0.91 5KU 5KV C6H13N1O11S2 non-polymer 1.00 0.60 5KV 5KW C23Cl2H24N6O2 non-polymer 0.00 0.00 5KW 5KX C3Cl1H3N2 non-polymer 0.00 0.00 5KX 5KY C16F3H14N3O3 non-polymer 0.00 0.00 5KY 5KZ C19H32N2O14S2 non-polymer 1.00 0.38 5KZ 5L0 C21H20N4O2 non-polymer 0.62 0.11 5L0 5L2 C14H24N2O13S2 non-polymer 1.00 0.68 5L2 5L3 C13H24N2O11S2 non-polymer 1.00 0.39 5L3 5L4 C22H24N6O3 non-polymer 0.00 0.00 5L4 5L6 C17H25N3O1 non-polymer 0.58 0.19 5L6 5L7 C19H21N3O2 non-polymer 0.36 0.17 5L7 5L8 C14Cl2H15N3O1 non-polymer 0.00 0.00 5L8 5L9 C14Cl2H15N3O1 non-polymer 0.00 0.00 5L9 5LA C7Cl1H4N1O2S1 non-polymer 0.00 0.00 5LA 5LB C7H13N5O2 peptide linking 0.00 0.00 5LB 5LC C19H22N2O6 non-polymer 0.00 0.00 5LC 5LD C5H10N3O4P1 non-polymer 0.00 0.00 5LD 5LE C8H15N5O2 peptide linking 0.00 0.00 5LE 5LF C11H21N5O2 peptide linking 0.00 0.00 5LF 5LG C26H37N7O6 peptide-like 0.00 0.00 5LG 5LH C27H39N7O6 peptide-like 0.00 0.00 5LH 5LI C10Cl2H10N2O3 non-polymer 0.45 0.47 5LI 5LJ C33H49N7O6 peptide-like 0.00 0.00 5LJ 5LK C23H26N6O1 non-polymer 0.00 0.00 5LK 5LL C11H8N2O4 non-polymer 1.00 0.94 5LL 5LM C11H8N2O3S1 non-polymer 1.00 0.65 5LM 5LN C2Cl1H8O4Ru1 non-polymer 0.00 0.00 5LN 5LO C26H30O3 non-polymer 0.00 0.00 5LO 5LP C15Cl1H14N3O3 non-polymer 0.00 0.00 5LP 5LQ C17Cl1H22N3O3S1 non-polymer 0.00 0.00 5LQ 5LR C22Cl1H24N3O2S1 non-polymer 0.00 0.00 5LR 5LS C6H12O12S2 non-polymer 1.00 0.60 5LS 5LU C15Cl3H16N3O2 non-polymer 0.00 0.00 5LU 5LW C19Cl2H17N3O3 non-polymer 0.00 0.00 5LW 5LX C19Cl2H17N3O3 non-polymer 0.00 0.00 5LX 5LY C19Cl2H17N3O3 non-polymer 0.00 0.00 5LY 5LZ C19Cl2H17N3O3 non-polymer 0.00 0.00 5LZ 5M0 C8H9N1O2 non-polymer 0.00 0.00 5M0 5M1 C6H7N1O2 non-polymer 0.00 0.00 5M1 5M2 C13H11N1O4 non-polymer 0.94 0.44 5M2 5M6 C18Cl1H18N3O2S1 non-polymer 0.00 0.00 5M6 5M7 C21Cl1H19N2O2 non-polymer 0.00 0.00 5M7 5M8 C17Cl1H12N1O2 non-polymer 0.00 0.00 5M8 5M9 C17Cl1H22N7 non-polymer 0.00 0.00 5M9 5MA C20Cl3H14N7O1 non-polymer 0.00 0.00 5MA 5MB C8H8N2 non-polymer 0.00 0.00 5MB 5MC C10H16N3O8P1 RNA linking 1.00 0.45 5MC 5MD C10H14N2O5 DNA linking 1.00 0.65 5MD 5ME C18H18N4O2 non-polymer 0.00 0.00 5ME 5MF C17H24N8 non-polymer 0.00 0.00 5MF 5MG C20Cl1F3H12N4O2 non-polymer 0.00 0.00 5MG 5MH C6H7N1O1S1 non-polymer 0.00 0.00 5MH 5MI C9H9N1 non-polymer 0.00 0.00 5MI 5MJ C20Cl1H19N2O3 non-polymer 0.00 0.00 5MJ 5MK C7Cl1H7N2O1 non-polymer 0.00 0.00 5MK 5ML C28H28N4O1 non-polymer 0.00 0.00 5ML 5MM C7H18O12P2 D-saccharide 1.00 0.62 5MM 5MN C27H28N4O1 non-polymer 0.00 0.00 5MN 5MO C27H29N3O2 non-polymer 0.00 0.00 5MO 5MP C5H7N1 non-polymer 0.00 0.00 5MP 5MQ C27H29N3O2 non-polymer 0.00 0.00 5MQ 5MR C30H29N4O5P1 non-polymer 0.00 0.00 5MR 5MS C18H18N4O2S1 non-polymer 0.00 0.00 5MS 5MT C21F1H18N7O2S1 non-polymer 0.00 0.00 5MT 5MU C10H15N2O9P1 RNA linking 1.00 0.82 5MU 5MV C32Cl2H27N3O4 non-polymer 0.61 0.20 5MV 5MW C8H15N5O2 L-peptide linking 0.00 0.00 5MW 5MX C17H17N7O4 non-polymer 0.39 0.46 5MX 5MY C6H17O21P5 non-polymer 1.00 0.38 5MY 5MZ C9Cl1H8N3O1 non-polymer 0.00 0.00 5MZ 5N1 C22H21N5O2 non-polymer 0.00 0.07 5N1 5N2 C26H22N6O2 non-polymer 0.00 0.00 5N2 5N3 C18Cl1H16N7O1 non-polymer 0.00 0.00 5N3 5N4 C19H19N7O1 non-polymer 0.00 0.00 5N4 5N5 C10H14N6O3 non-polymer 1.00 0.53 5N5 5N6 C13H21N1O10 non-polymer 1.00 1.00 5N6 5N7 C42H56N10O6S1 non-polymer 0.00 0.00 5N7 5N8 C23F5H17N6O2 non-polymer 0.00 0.00 5N8 5NA C12H10O3 non-polymer 0.00 0.00 5NA 5NB Br1C10H13N6O3 non-polymer 1.00 0.50 5NB 5NC C8H13N4O7P1 DNA linking 1.00 0.45 5NC 5ND C14H12N2O2 non-polymer 0.00 0.00 5ND 5NE C12H10O2 non-polymer 0.00 0.00 5NE 5NG C42H70N14O32P6S2 non-polymer 1.00 0.48 5NG 5NH C39H58N6O8 non-polymer 0.56 0.49 5NH 5NI C7H5N3O2 non-polymer 0.00 0.00 5NI 5NJ C13H18N1O8P1 non-polymer 0.00 0.00 5NJ 5NK C22H30N6O1 non-polymer 0.00 0.00 5NK 5NL C14H12N2O2 non-polymer 0.00 0.00 5NL 5NM Br1C21H22N5O3S1 non-polymer 0.00 0.00 5NM 5NN C15H12N2O1 non-polymer 0.00 0.00 5NN 5NO C21H23N5O2 non-polymer 0.00 0.00 5NO 5NP C21Cl1H15N4O2 non-polymer 0.00 0.00 5NP 5NQ C23H32N8O2S1 non-polymer 0.00 0.00 5NQ 5NR C14H22N2 non-polymer 0.00 0.00 5NR 5NS C10H9N1O3S1 non-polymer 0.00 0.00 5NS 5NT C11H15N5O3 non-polymer 0.00 0.00 5NT 5NU C4H3N3O4 non-polymer 1.00 0.82 5NU 5NV C17Cl1H17N8O2S1 non-polymer 0.00 0.00 5NV 5NW C23H27N7O1 non-polymer 0.38 0.06 5NW 5NX C21Cl1H20N6O7 non-polymer 1.00 0.29 5NX 5NY C29Cl1H24N9O1 non-polymer 0.00 0.00 5NY 5NZ C41H43N8 non-polymer 0.00 0.00 5NZ 5O0 C20Cl1H16N3O6S1 non-polymer 0.00 0.00 5O0 5O1 C24H27N7O1 non-polymer 0.00 0.00 5O1 5O2 C41H43N8 non-polymer 0.00 0.00 5O2 5O3 C20Cl1H17N4O5S1 non-polymer 0.00 0.00 5O3 5O4 C16H11N3O1 non-polymer 0.00 0.00 5O4 5O5 C8Cl2H6N4O1 non-polymer 0.00 0.00 5O5 5O6 C11H12O3 non-polymer 0.95 0.43 5O6 5O7 C19H18N6O2 non-polymer 0.00 0.00 5O7 5O8 C18F3H20N6O6S1 non-polymer 1.00 0.29 5O8 5OA C16Cl2H19N5 non-polymer 0.00 0.00 5OA 5OB C8H8N2O1 non-polymer 0.00 0.00 5OB 5OC C9H14N3O8P1 DNA linking 1.00 0.81 5OC 5OD C16Cl2H19N5 non-polymer 0.00 0.00 5OD 5OE C22H20N8O1 non-polymer 0.00 0.00 5OE 5OF C10H8N2O3 non-polymer 0.00 0.00 5OF 5OG C15H14N2O4S1 non-polymer 0.23 0.36 5OG 5OH C6H12N4O3 L-peptide linking 0.00 0.00 5OH 5OJ C17H18N2O4 non-polymer 0.00 0.00 5OJ 5OK C17H14N2O4S1 non-polymer 0.22 0.25 5OK 5OL C8H18N2O4 L-peptide linking 0.00 0.00 5OL 5OM C10H19N1O5 L-peptide linking 0.00 0.00 5OM 5ON C18H16O5 non-polymer 0.44 0.26 5ON 5OO C9Cl2H6O2 non-polymer 0.58 0.38 5OO 5OP C20H30O5 non-polymer 0.38 0.52 5OP 5OQ C21H20N4O2 non-polymer 0.00 0.00 5OQ 5OR C13H9I1N2O2 non-polymer 0.00 0.00 5OR 5OS C16Cl2H10O3 non-polymer 0.00 0.00 5OS 5OT C13H12I1N3O2S2 non-polymer 0.00 0.00 5OT 5OU C14Cl1H13N4O2 non-polymer 0.00 0.00 5OU 5OW C17H27N4O9P1S1 L-peptide linking 0.44 0.22 5OW 5OX C23H34O3 non-polymer 0.42 0.73 5OX 5OY C5H12N1O5P1 non-polymer 0.00 0.00 5OY 5OZ C4H8O1 non-polymer 0.62 1.00 5OZ 5P1 C14F3H9N2O2 non-polymer 0.00 0.00 5P1 5P2 C24F3H20N7O3S2 non-polymer 0.00 0.00 5P2 5P3 C13Cl1H9O3 non-polymer 0.00 0.00 5P3 5P4 C20H24N2O4 non-polymer 0.58 0.15 5P4 5P5 C17H32O16P2 non-polymer 1.00 0.74 5P5 5P7 C14H17N3O3 non-polymer 1.00 0.50 5P7 5P8 C21F1H19N6O2 non-polymer 0.00 0.00 5P8 5PA C12H17N2O7P1 non-polymer 0.00 0.00 5PA 5PB C23Cl1H18N3O3S1 non-polymer 0.00 0.00 5PB 5PC C12H16N3O7P1 DNA linking 1.00 0.48 5PC 5PD C11H23N2O6P1S1 non-polymer 0.62 0.48 5PD 5PE C16H16N2O3S1 non-polymer 0.00 0.00 5PE 5PF C18F1H21N2O1 non-polymer 0.00 0.00 5PF 5PG C9H11N1O3 L-peptide linking 0.42 0.69 5PG 5PH C24H28N2O9S1 non-polymer 0.59 0.25 5PH 5PI C29H39N7O6S1 non-polymer 0.58 0.09 5PI 5PJ C18F1H19N2O1 non-polymer 0.00 0.00 5PJ 5PK C18H22N2O1 non-polymer 0.00 0.00 5PK 5PL C67H129N2O15P1 non-polymer 1.00 0.42 5PL 5PM C24H18N4S1 non-polymer 0.00 0.00 5PM 5PN C8H7N1O3 non-polymer 0.00 0.00 5PN 5PP C17H20O2 non-polymer 0.00 0.00 5PP 5PQ C15H17N6O7 non-polymer 1.00 0.36 5PQ 5PR C8H9N1O4 non-polymer 1.00 1.00 5PR 5PS C29F2H22N4O2 non-polymer 0.00 0.00 5PS 5PU C13H15N1O6 non-polymer 0.00 0.00 5PU 5PV C11H14O2 non-polymer 0.00 0.00 5PV 5PW C9H7N3O3S1 non-polymer 0.00 0.00 5PW 5PX C10H12N2O3S1 non-polymer 0.00 0.00 5PX 5PY C10H15N2O7P1 DNA linking 1.00 0.45 5PY 5PZ C23Cl2H21N3O1 non-polymer 0.00 0.00 5PZ 5Q0 C9H7N1O1 non-polymer 0.00 0.00 5Q0 5Q1 C13H15N1O6 non-polymer 0.00 0.00 5Q1 5Q2 C25Cl1H28N5O2 non-polymer 1.00 0.33 5Q2 5Q3 C21H24N8O2 non-polymer 1.00 0.35 5Q3 5Q4 C24H27N5O3 non-polymer 1.00 0.34 5Q4 5Q5 C8H10N2S1 non-polymer 0.00 0.00 5Q5 5Q6 C18F1H12N1O4 non-polymer 0.00 0.00 5Q6 5Q7 C8H11N3O1 non-polymer 0.00 0.00 5Q7 5Q8 C11H9N3O1 non-polymer 0.00 0.00 5Q8 5Q9 C10Cl2H11N1O1 non-polymer 0.57 0.36 5Q9 5QA C9Cl2H9N1O2 non-polymer 0.00 0.00 5QA 5QB C11H15N1O3 non-polymer 0.00 0.00 5QB 5QC C31F3H27N6O3 non-polymer 0.00 0.00 5QC 5QD C9Cl2H9N1O1 non-polymer 0.00 0.00 5QD 5QE C27H34N4O3S1 non-polymer 0.00 0.00 5QE 5QF C28H38N4O4S1 non-polymer 0.50 0.14 5QF 5QG C23H27N3O2S1 non-polymer 0.00 0.00 5QG 5QH C24H25N3O2 non-polymer 0.00 0.00 5QH 5QJ C25H27N5O1 non-polymer 0.00 0.00 5QJ 5QK C23H25N3O3 non-polymer 0.00 0.00 5QK 5QL C24H31N3O3 non-polymer 0.00 0.00 5QL 5QM C12H9N1O1 non-polymer 0.62 0.14 5QM 5QN C25H29N3O6 non-polymer 0.97 0.21 5QN 5QO C21H21N5O1 non-polymer 0.00 0.00 5QO 5QP C13H24O10 non-polymer 1.00 1.00 5QP 5QQ C20F3H11N6 non-polymer 0.00 0.00 5QQ 5QR C14H12N2O4 non-polymer 0.00 0.00 5QR 5QS C21H25N7O1 non-polymer 0.50 0.21 5QS 5QT C10H16N4O3S1 non-polymer 1.00 0.94 5QT 5QU C19F2H19N5O1S1 non-polymer 0.00 0.00 5QU 5QV C20F2H19N5O1S1 non-polymer 0.00 0.00 5QV 5QW C17H23N3O3S1 non-polymer 0.40 0.29 5QW 5QX C9H10N2O1 non-polymer 0.00 0.00 5QX 5QY C9H10N2O1 non-polymer 0.00 0.00 5QY 5R0 C11H14O2 non-polymer 0.38 0.15 5R0 5R1 C21H21N3O6 non-polymer 0.00 0.00 5R1 5R2 C37H50N6O9S1 non-polymer 0.56 0.09 5R2 5R5 C4H9N1O3 L-peptide linking 0.83 0.88 5R5 5R6 C35H41N1O14 non-polymer 1.00 0.60 5R6 5R7 C15H26N4O6S2 non-polymer 0.50 0.33 5R7 5R8 C14H23N3 non-polymer 0.00 0.00 5R8 5R9 C16H21N3 non-polymer 0.00 0.00 5R9 5RA C27H37N5 non-polymer 0.00 0.00 5RA 5RC C20F5H20N5O1S1 non-polymer 1.00 0.25 5RC 5RD C11H18N2O2S1 non-polymer 0.00 0.00 5RD 5RE C25F1H25N2O3 non-polymer 0.00 0.00 5RE 5RF Br1C26H27N2O3 non-polymer 0.00 0.00 5RF 5RG C7F1H6N1O2 non-polymer 0.00 0.00 5RG 5RH C29H37N1O5 non-polymer 0.00 0.00 5RH 5RI C20H22N6O4 non-polymer 0.50 0.13 5RI 5RL C17H17N1O2 non-polymer 0.00 0.00 5RL 5RM C14H19N1O4 non-polymer 0.58 0.21 5RM 5RN C10H9N1O1 non-polymer 0.62 0.25 5RN 5RO C11H11N1O1 non-polymer 0.62 0.23 5RO 5RP C5H11O8P1 saccharide 1.00 0.71 5RP 5RS C36H52N6O9S1 non-polymer 0.56 0.17 5RS 5RT C25F3H22N3O3S2 non-polymer 0.00 0.00 5RT 5RU C12F1H10N5O1S1 non-polymer 0.00 0.00 5RU 5RV C13H10N6O1S1 non-polymer 0.00 0.00 5RV 5RW C12F1H10N5O1S1 non-polymer 0.00 0.00 5RW 5RX C12Cl1H10N5O1S1 non-polymer 0.00 0.00 5RX 5RY C13F1H9N6O1S1 non-polymer 0.00 0.00 5RY 5RZ Br1C13H10N5O2S1 non-polymer 0.00 0.00 5RZ 5S4 C16H33N4O8P1 peptide-like 0.62 0.34 5S4 5S5 C23H27N3O3 non-polymer 0.00 0.00 5S5 5S6 C26H29N3O4 non-polymer 0.62 0.09 5S6 5S7 C11H16N6O3S1 non-polymer 1.00 0.43 5S7 5S8 C23H27N3O5S2 non-polymer 0.00 0.00 5S8 5S9 C11F2H9N3O1 non-polymer 0.00 0.00 5S9 5SA C31H53N1O23 saccharide 1.00 0.82 5SA 5SB C14H12N4O1 non-polymer 0.00 0.00 5SB 5SC Br1C19H16N5O1 non-polymer 0.00 0.00 5SC 5SD C19H28O2 non-polymer 0.00 0.00 5SD 5SE C10H16N3O7P1Se1 DNA linking 1.00 0.41 5SE 5SF C25H30N6O2 non-polymer 0.36 0.12 5SF 5SG C9H7N1O1 non-polymer 0.00 0.00 5SG 5SH C11H9N1 non-polymer 0.00 0.00 5SH 5SI C15H20N1O12P3S1 non-polymer 1.00 0.28 5SI 5SJ C12H14N2O3 non-polymer 0.75 0.29 5SJ 5SK C14H17N5 non-polymer 0.00 0.00 5SK 5SL C20H21N7O1 non-polymer 0.00 0.00 5SL 5SM C16F3H13N4 non-polymer 0.00 0.00 5SM 5SN C12H11N3 non-polymer 0.00 0.00 5SN 5SO C30H48O8 non-polymer 1.00 0.47 5SO 5SP C5H11O8P1 saccharide 1.00 0.71 5SP 5SQ C17H17N5O4 L-peptide linking 0.00 0.00 5SQ 5SR C13H18N4O9P2S1 non-polymer 0.00 0.00 5SR 5SS C28H31N5O2 non-polymer 0.00 0.00 5SS 5ST C29H34N4O3 non-polymer 0.00 0.00 5ST 5SU C31Cl1H26N7O3 non-polymer 0.29 0.12 5SU 5SV C30H54N5O7P1 non-polymer 1.00 0.35 5SV 5SW C20H23N3O3 non-polymer 0.20 0.12 5SW 5SY C19H22O9 non-polymer 1.00 0.43 5SY 5SZ C20F1H15N6O2 non-polymer 0.00 0.00 5SZ 5T0 C20H31N3O1 non-polymer 0.00 0.00 5T0 5T1 C23F1H22N7O3 non-polymer 0.75 0.15 5T1 5T2 C20F3H16N3O1 non-polymer 0.00 0.00 5T2 5T4 C15H23N5O1 non-polymer 0.00 0.00 5T4 5T5 C19Cl1F2H16N3O3 non-polymer 0.00 0.00 5T5 5T6 C22Cl1F2H18N3O2 non-polymer 0.00 0.00 5T6 5T7 C18Cl1F2H17N4O2 non-polymer 0.00 0.00 5T7 5T8 C20Cl1H19N4O1 non-polymer 0.00 0.00 5T8 5T9 C25Cl2H29N5O5S1 non-polymer 0.00 0.00 5T9 5TA C24Cl1H20N3O3 non-polymer 0.00 0.06 5TA 5TB C20H31N3O1 non-polymer 0.00 0.00 5TB 5TC C27H34N4O1 non-polymer 0.00 0.00 5TC 5TD C19H25N3O1 non-polymer 0.00 0.00 5TD 5TE C19H28N2O1 non-polymer 0.00 0.00 5TE 5TF C17H19N7 non-polymer 0.36 0.17 5TF 5TG C25H39N3O3 non-polymer 0.56 0.16 5TG 5TH C6H12O10S2 non-polymer 1.00 0.67 5TH 5TJ C6H12O10S2 non-polymer 1.00 0.67 5TJ 5TK C6H12O7S1 non-polymer 1.00 0.86 5TK 5TL C19H17N3O3S1 non-polymer 0.00 0.00 5TL 5TM C6H12O10S2 non-polymer 1.00 0.67 5TM 5TN C26H32O4 non-polymer 0.58 0.30 5TN 5TO C12H21N1O1 non-polymer 0.00 0.00 5TO 5TP C11H16N2O1S1 peptide-like 0.00 0.00 5TP 5TQ C16F1H17N2O3 non-polymer 0.00 0.00 5TQ 5TR C55H91O4P1 non-polymer 0.62 0.93 5TR 5TS C7H5N1O4S2 non-polymer 0.00 0.00 5TS 5TT C13H20N2 non-polymer 0.00 0.00 5TT 5TU C14H14N2O2 non-polymer 0.00 0.00 5TU 5TW C43H66N7O18P3S1 non-polymer 1.00 0.32 5TW 5TX C5H10N1O6P1 non-polymer 0.00 0.00 5TX 5TY C10H12N4O1 non-polymer 0.20 0.20 5TY 5TZ C9H7N3O2S1 non-polymer 0.00 0.00 5TZ 5U1 C9H14N5O1 non-polymer 0.58 0.27 5U1 5U2 C19H24N2O4 non-polymer 0.00 0.00 5U2 5U3 C18H26N6O2 non-polymer 0.45 0.27 5U3 5U4 C17H16N6O1 non-polymer 0.00 0.00 5U4 5U5 C29H28N4O2 non-polymer 0.20 0.09 5U5 5U6 C20H23N3O3 non-polymer 0.20 0.12 5U6 5U7 C23H28N2O8 non-polymer 1.00 0.61 5U7 5U8 C20F1H19N6O1 non-polymer 0.00 0.00 5U8 5U9 C9H12N3O2S1 non-polymer 0.62 0.20 5U9 5UA C11H13N5O5 DNA linking 1.00 0.43 5UA 5UB C10H6N4O1S1 non-polymer 0.00 0.00 5UB 5UC C4Cl1H3N2O2 non-polymer 0.00 0.00 5UC 5UD C9F1H11N2O6 non-polymer 1.00 0.94 5UD 5UE C8H12N3O2S1 non-polymer 0.62 0.21 5UE 5UF C10H20O3 non-polymer 0.00 0.00 5UF 5UG C11H24N2O10P2S1 non-polymer 0.62 0.38 5UG 5UH C15H14O3 non-polymer 0.00 0.00 5UH 5UJ C23Cl2H22N6O1 non-polymer 0.00 0.00 5UJ 5UK C7H9N1O6 non-polymer 0.93 1.00 5UK 5UL C24Cl1H25N6O1 non-polymer 0.00 0.00 5UL 5UM C12F1H11N2O3S2 non-polymer 0.00 0.00 5UM 5UN C12H12N2O3S2 non-polymer 0.00 0.00 5UN 5UO C23Cl1H23N6O1 non-polymer 0.00 0.00 5UO 5UP C9H8N4O1S1 non-polymer 0.00 0.00 5UP 5US C21H25N1O7 non-polymer 1.00 0.55 5US 5UT C22Cl1H29N4O3 non-polymer 0.38 0.17 5UT 5UU C19Cl1F1H16N2 non-polymer 0.00 0.00 5UU 5UV C19Cl2F1H15N2 non-polymer 0.00 0.00 5UV 5UW C20H26N2 non-polymer 0.00 0.00 5UW 5UX C19Cl2F1H15N2 non-polymer 0.00 0.00 5UX 5UY C17H19N7O3 non-polymer 1.00 0.41 5UY 5V0 C12H12N2O3 non-polymer 0.00 0.00 5V0 5V1 C14H14N2O2 non-polymer 0.00 0.00 5V1 5V2 C21F3H20N3O3S2 non-polymer 0.00 0.00 5V2 5V3 C15H14N4O1 non-polymer 0.00 0.00 5V3 5V4 C9H10O2 non-polymer 0.00 0.00 5V4 5V5 C13H12O3S1 non-polymer 0.00 0.00 5V5 5V6 C13H12O3S1 non-polymer 0.00 0.00 5V6 5V7 C10H7N5O1S1 non-polymer 0.00 0.00 5V7 5V8 C22H24N2O4 non-polymer 0.50 0.14 5V8 5VC C22Cl1F1H21N3O3S1 non-polymer 0.00 0.00 5VC 5VD C21H18O9 non-polymer 0.40 0.23 5VD 5VE C21Cl1F1H24N6O2 non-polymer 0.00 0.00 5VE 5VF C22Cl1F1H26N8O2 non-polymer 0.30 0.09 5VF 5VG C21Cl1F1H24N6O2 non-polymer 0.00 0.00 5VG 5VH C22Cl1F1H26N8O2 non-polymer 0.30 0.09 5VH 5VJ C12H9N1O2S1 non-polymer 0.00 0.00 5VJ 5VK C17H18O4 non-polymer 0.65 0.33 5VK 5VL C12H10O2 non-polymer 0.00 0.00 5VL 5VM C7Cl1H4N1O1S1 non-polymer 0.00 0.00 5VM 5VN C30H48O5 non-polymer 0.00 0.00 5VN 5VO C12H14O3 non-polymer 0.00 0.00 5VO 5VQ C3H6O1 non-polymer 0.75 1.00 5VQ 5VR C9H16N4O7S1 non-polymer 0.00 0.00 5VR 5VS C23H21N5O2 non-polymer 0.00 0.00 5VS 5VT C26H29N3O3 non-polymer 0.00 0.00 5VT 5VU C11F2H12N2O1 non-polymer 0.00 0.00 5VU 5VV C5H8N2O4 L-peptide linking 0.00 0.00 5VV 5VW C11H20N4O7S1 non-polymer 0.00 0.00 5VW 5VY C26H35N7O2S1 non-polymer 0.38 0.06 5VY 5VZ C26Cl1H34N7O2S1 non-polymer 0.38 0.05 5VZ 5W0 C26F1H34N7O2S1 non-polymer 0.38 0.05 5W0 5W1 C26Cl1F1H33N7O2S1 non-polymer 0.38 0.05 5W1 5W2 C28Cl1F1H35N7O3S1 non-polymer 0.38 0.05 5W2 5W3 C20Cl1H25N6O5S1 non-polymer 0.00 0.00 5W3 5W4 C20H18N2O2 non-polymer 0.00 0.00 5W4 5W5 C22F3H22N3O5 non-polymer 0.97 0.12 5W5 5W6 C24Cl1H31N6O5S1 non-polymer 0.00 0.00 5W6 5W7 C24Cl1H32N7O4S1 non-polymer 0.00 0.00 5W7 5W8 C22Cl1H29N6O5S1 non-polymer 0.50 0.17 5W8 5W9 C22Cl1H27N6O5S1 non-polymer 0.00 0.00 5W9 5WA C17H20N4O4 non-polymer 0.21 0.32 5WA 5WB C18H22N4O4 non-polymer 0.33 0.27 5WB 5WC C23Cl1F1H22N6O3 non-polymer 0.00 0.00 5WC 5WD C17H14N2O4 non-polymer 0.00 0.00 5WD 5WE C26H30N8O2S1 non-polymer 0.20 0.08 5WE 5WF C29F3H28N7O3 non-polymer 0.00 0.00 5WF 5WH C29F4H27N7O2 non-polymer 0.00 0.00 5WH 5WJ C23H26N4O5S1 non-polymer 0.00 0.00 5WJ 5WK C11F4H8N2O1 non-polymer 0.00 0.00 5WK 5WL C23Cl1H21N2O4S1 non-polymer 0.50 0.16 5WL 5WM C9H10N2O4S2 non-polymer 0.00 0.00 5WM 5WN C9H10N2O2S2 non-polymer 0.00 0.00 5WN 5WO C22H16N6O1 non-polymer 0.00 0.00 5WO 5WP C43H69N4O14P1 non-polymer 0.00 0.00 5WP 5WQ C43H64N4O11 non-polymer 0.00 0.00 5WQ 5WR C28F3H31N6O1 non-polymer 0.00 0.00 5WR 5WS C12H14N2O3S1 non-polymer 0.00 0.00 5WS 5WT C13H14N2O2 non-polymer 0.00 0.00 5WT 5WU C10H14N2O2 non-polymer 0.00 0.00 5WU 5WV C9H9N1O1 non-polymer 0.00 0.00 5WV 5WW C16H14N2O2 non-polymer 0.00 0.00 5WW 5WX C8H8N2O2 non-polymer 0.00 0.00 5WX 5WY C9H9N1O3 non-polymer 0.00 0.00 5WY 5WZ C9H16N2O1 non-polymer 0.00 0.00 5WZ 5X C19H18N2O3S3 non-polymer 0.38 0.07 5X 5X0 C21H24N2O5 non-polymer 0.50 0.14 5X0 5X1 C28F3H31N6O1 non-polymer 0.00 0.00 5X1 5X2 C26Cl1H25N2O4S1 non-polymer 0.00 0.00 5X2 5X3 C30Cl2H28N4O7S1 non-polymer 0.00 0.00 5X3 5X4 C25F3H27N4O2 non-polymer 0.00 0.00 5X4 5X8 C13H18N6O5S1 L-peptide linking 1.00 0.36 5X8 5XA C5H12N2O2 non-polymer 0.00 0.00 5XA 5XB C5H7N1O4S1 non-polymer 0.00 0.00 5XB 5XC C8H6O3 non-polymer 0.00 0.00 5XC 5XD C18H21N3O4S1 non-polymer 0.00 0.00 5XD 5XE Br1C17H18N3O4S1 non-polymer 0.00 0.00 5XE 5XF C21H24N4O3 non-polymer 0.00 0.00 5XF 5XG C20Cl1H21N6O1 non-polymer 0.00 0.00 5XG 5XH C27H34N6O2 non-polymer 0.43 0.11 5XH 5XJ C18F2H16N8O2S1 non-polymer 0.00 0.00 5XJ 5XK C17Cl1H19N2O1 non-polymer 0.00 0.00 5XK 5XL C14Cl1H14N3O1 non-polymer 0.20 0.16 5XL 5XM C17H21N3O1 non-polymer 0.00 0.00 5XM 5XN C14Cl1H14N6O4 non-polymer 0.00 0.00 5XN 5XO C15H16N6O4 non-polymer 0.00 0.00 5XO 5XP C15H17N7O4 non-polymer 0.00 0.00 5XP 5XQ C16H16N4O2S2 non-polymer 0.00 0.00 5XQ 5XR C7H11N1O7 non-polymer 0.91 1.00 5XR 5XS C14H11N5O3 non-polymer 0.97 0.18 5XS 5XT C18H15N1O4S1 non-polymer 0.00 0.00 5XT 5XU C3H7N1O1 L-peptide linking 0.50 1.00 5XU 5XV C16F3H15N6O2 non-polymer 0.50 0.15 5XV 5XW C7H9N1O6 non-polymer 0.93 1.00 5XW 5XX C24H24N8O2S2 non-polymer 0.00 0.00 5XX 5XY C24H24N8O2S2 non-polymer 0.00 0.00 5XY 5XZ C24H23N7O3S2 non-polymer 0.00 0.00 5XZ 5Y0 C16F3H14I1N2O4 non-polymer 0.98 0.35 5Y0 5Y2 C19H19N7O1 non-polymer 0.00 0.00 5Y2 5Y3 C21H25N9O1 non-polymer 0.00 0.00 5Y3 5Y4 C23H29N9O1 non-polymer 0.30 0.18 5Y4 5Y5 Br1C18F2H18N5 non-polymer 0.38 0.08 5Y5 5Y6 C20Cl1H21N4O4S1 non-polymer 0.00 0.00 5Y6 5Y7 C24Cl1H31N4O3S1 non-polymer 0.50 0.15 5Y7 5Y8 C21Cl1H23N6O1 non-polymer 0.00 0.00 5Y8 5Y9 C4H9N1O1 non-polymer 0.57 0.83 5Y9 5YA C17H13N1O2 non-polymer 0.00 0.00 5YA 5YB C24H27N5O7 non-polymer 0.50 0.42 5YB 5YC C15H16N4O1S1 non-polymer 0.00 0.00 5YC 5YD C20F1H18N3O3S1 non-polymer 0.00 0.00 5YD 5YE C18F1H18N3O1S1 non-polymer 0.00 0.00 5YE 5YF C18F1H17N2O3S1 non-polymer 0.00 0.00 5YF 5YI C28H44O4S1 non-polymer 0.75 0.09 5YI 5YL C14H26N3O9P1 non-polymer 1.00 0.74 5YL 5YQ C16H13N5O2 non-polymer 0.00 0.00 5YQ 5Z5 C17Cl1H16N3O2 non-polymer 0.50 0.17 5Z5 5ZA C17H19N5O4 L-peptide linking 0.00 0.00 5ZA 5ZE C6H9N3 non-polymer 0.00 0.00 5ZE 5ZI C27H21N5O3 non-polymer 0.00 0.00 5ZI 5ZM C16F1H14N1O1 non-polymer 0.00 0.00 5ZM 5ZZ C8H13N1O4S1 non-polymer 0.00 0.00 5ZZ 600 C43F2H42N4O7P2 non-polymer 0.00 0.00 600 601 C9H13N3O1 non-polymer 0.20 0.23 601 602 C11H19N5O7S1 non-polymer 0.00 0.00 602 603 C26H25N3O7S1 non-polymer 1.00 0.51 603 604 Br1C19H21N2O10S1 non-polymer 1.00 0.58 604 605 C21F2H18N2O1 non-polymer 0.00 0.00 605 606 C19H24N3O4P1 non-polymer 0.00 0.00 606 607 C24H19N5O5 non-polymer 0.46 0.32 607 608 C24H20N4O2 non-polymer 0.00 0.00 608 609 C19H10N2O3 non-polymer 0.00 0.00 609 60A C6H14O4 non-polymer 0.83 0.80 60A 60B C20H22N8O2S1 non-polymer 0.36 0.13 60B 60C C60 non-polymer 0.00 0.00 60C 60D C26H30N8O4S1 non-polymer 0.36 0.10 60D 60E C26H33N9O3S1 non-polymer 0.58 0.18 60E 60F C12H13N1O4S1 L-peptide linking 0.56 0.50 60F 60G C16H18N4O7S1 non-polymer 1.00 0.46 60G 60H C17H19N1 non-polymer 0.00 0.00 60H 60K C15H12N4O5S1 non-polymer 0.00 0.00 60K 60L C12H13N1S1 non-polymer 0.00 0.00 60L 60M C7H8N1O5P1 non-polymer 0.00 0.00 60M 60N C7H8N1O6P1 non-polymer 0.00 0.00 60N 60O C26H33N5O2 non-polymer 0.00 0.00 60O 60P C6H6O2S1 non-polymer 0.00 0.00 60P 60Q C11H9N1O2 non-polymer 0.00 0.00 60Q 60R C23F1H16N1O3 non-polymer 0.00 0.00 60R 60S C18F1H19N8O1S1 non-polymer 1.00 0.31 60S 60T C19F3H19N6O2 non-polymer 1.00 0.30 60T 60U C19F1H20N7O2S1 non-polymer 1.00 0.30 60U 60V C18F1H18N7O2S1 non-polymer 1.00 0.31 60V 60W C23F1H20N7O2S1 non-polymer 1.00 0.24 60W 60X C19F3H19N6O2 non-polymer 1.00 0.30 60X 60Y C22F1H18N7O1S1 non-polymer 0.00 0.00 60Y 610 C19H18N6O8 non-polymer 1.00 0.42 610 611 C19H19N3O8S1 non-polymer 1.00 0.42 611 612 C16H26N2O3S1 non-polymer 1.00 0.50 612 613 C11Cl1H15N4 non-polymer 0.00 0.00 613 614 C23H31N7O2 non-polymer 0.00 0.00 614 615 C28H25N3O4 non-polymer 0.00 0.00 615 616 C19H33N3O4S1 non-polymer 0.33 0.22 616 617 C15Cl1H12N1O4 non-polymer 0.00 0.00 617 618 C25H32N6O3S1 non-polymer 0.45 0.20 618 619 C27F1H27N6O6 non-polymer 1.00 0.35 619 61C C14Cl1H17N4Pt1 non-polymer 0.00 0.00 61C 61E C26Cl1H24N3O4 non-polymer 0.50 0.18 61E 61G C5H8 non-polymer 0.38 0.80 61G 61H C19H19O5P1 non-polymer 0.00 0.00 61H 61J C8H17O7P1 non-polymer 1.00 0.75 61J 61K C20H19N7O4S1 non-polymer 0.00 0.00 61K 61L C16H17N1O2S1 non-polymer 0.00 0.00 61L 61M C9H9N1O3 non-polymer 0.95 0.46 61M 61N C11H8O3 non-polymer 0.00 0.00 61N 61O C12H9N1O2 non-polymer 0.00 0.00 61O 61P C30H30N8O2 non-polymer 0.00 0.00 61P 61Q C52H52N12O11 non-polymer 0.00 0.00 61Q 61S C29H34N2O4 non-polymer 0.56 0.37 61S 61T C19F3H20N5O5S2 non-polymer 1.00 0.29 61T 61V C19H21I1N2O1 non-polymer 0.00 0.00 61V 61W C18H22N2O1 non-polymer 0.00 0.00 61W 61X C23F3H16N1O3S1 non-polymer 0.00 0.00 61X 61Y C16H15N7 non-polymer 0.00 0.00 61Y 620 C15H16N6O1 non-polymer 0.00 0.00 620 621 C14H25N3O6 non-polymer 0.56 0.91 621 622 C21F2H19N5O1 non-polymer 0.00 0.00 622 623 C20F2H18N5O2 non-polymer 1.00 0.31 623 624 C24Cl2H28N8O3S1 non-polymer 0.36 0.34 624 625 C26Cl1H23N4O1 non-polymer 0.50 0.16 625 626 C23H24N6O2S1 non-polymer 0.00 0.00 626 627 C26H30N6O3 non-polymer 0.38 0.26 627 628 C20Cl2H14N4O3S1 non-polymer 0.00 0.00 628 629 C17H25N3O9 non-polymer 1.00 0.48 629 62A C22H26N8O3S1 non-polymer 0.32 0.26 62A 62B C28H45N1O5S1 non-polymer 1.00 0.40 62B 62C C15Cl2H17N1O6 non-polymer 1.00 0.71 62C 62D C12H14N6O1 non-polymer 0.00 0.00 62D 62E C26H28N8O1S3 non-polymer 0.00 0.00 62E 62F C33H45N9O20P2 non-polymer 1.00 0.55 62F 62G C20Cl1H16N3O2 non-polymer 0.00 0.00 62G 62H C4H9N1O2 L-peptide linking 0.61 1.00 62H 62I C13H24N2O11S2 non-polymer 1.00 0.50 62I 62K C19H20N4O5S1 non-polymer 0.65 0.24 62K 62L C16H17N1O4S1 non-polymer 0.00 0.00 62L 62M C20H21N3O3 non-polymer 0.00 0.00 62M 62N C15F3H17N2O7 non-polymer 1.00 0.56 62N 62O C11H10N4O1 non-polymer 0.00 0.00 62O 62P C13Cl1H9N2O4S1 non-polymer 0.00 0.00 62P 62Q C35F6H38N4O5 non-polymer 0.00 0.00 62Q 62R C35F6H38N4O6S1 non-polymer 0.81 0.13 62R 62T C33F6H36N4O5S1 non-polymer 0.00 0.00 62T 62U C33H42N2O10 non-polymer 0.00 0.00 62U 62V C18Cl1H13N2O1 non-polymer 0.00 0.00 62V 62W C6H14O6 non-polymer 0.98 1.00 62W 62X C19H32N8O5 non-polymer 1.00 0.31 62X 62Y Br1C12H10O3P1 non-polymer 0.00 0.00 62Y 630 C19Cl1H24N7O3 non-polymer 0.00 0.00 630 631 C29H28N4O2 non-polymer 0.25 0.06 631 632 C23H28N8O3S2 non-polymer 1.00 0.47 632 633 C26H29N7O2 non-polymer 0.00 0.00 633 634 C19H19N7O2 non-polymer 0.00 0.00 634 635 C32F1H38N3O5 non-polymer 0.69 0.15 635 636 C16H15N1O4 non-polymer 0.00 0.00 636 637 C26F1H24N5O6 non-polymer 1.00 0.37 637 638 C41H38N6O5S2 non-polymer 0.00 0.00 638 639 C23H17N7 non-polymer 0.00 0.00 639 63A C19F3H22N7O2 non-polymer 0.00 0.00 63A 63B C20F1H14N7O2S1 non-polymer 0.00 0.00 63B 63C C26Cl1F1H25N5O4 non-polymer 0.00 0.00 63C 63D C24Cl1H32N1O7S1 non-polymer 0.00 0.00 63D 63E C15H17N5 non-polymer 0.00 0.00 63E 63F C28F6H26N6O6S1 non-polymer 0.00 0.00 63F 63G C13H18N5O8P1 DNA linking 1.00 0.33 63G 63H C13H18N5O8P1 DNA linking 1.00 0.33 63H 63K C25F1H23N8O2S2 non-polymer 0.00 0.00 63K 63L C6H9N5O2S1 non-polymer 1.00 0.64 63L 63M C15H19N7O3S1 non-polymer 0.50 0.27 63M 63N C19H20N8O2S1 non-polymer 0.36 0.13 63N 63O C33F1H41N6O4 non-polymer 0.20 0.07 63O 63P C37Cl1H39N6O5 non-polymer 0.00 0.00 63P 63Q C33Cl1H33N6O4 non-polymer 0.00 0.00 63Q 63T C5H9O7P1 non-polymer 1.00 0.69 63T 63U C16H19N3O4S1 non-polymer 0.00 0.00 63U 63V C14H14N2O4S2 non-polymer 0.00 0.00 63V 63W C14F3H11N4S2 non-polymer 0.00 0.00 63W 63X C19H17N1O5 non-polymer 0.00 0.00 63X 63Y C13F3H9N4S2 non-polymer 0.00 0.00 63Y 640 C21H23N3O4 non-polymer 0.60 0.54 640 641 C17Cl2H20N2O2 non-polymer 0.00 0.00 641 642 C29H24N2O4 non-polymer 0.00 0.00 642 643 C29Cl2H25N3O4 non-polymer 0.00 0.00 643 644 C21H16N2O6 non-polymer 0.00 0.00 644 645 C21Cl3H19N2O4S1 non-polymer 0.39 0.16 645 646 C21Cl2H24N6O2S1 non-polymer 0.00 0.00 646 647 C21F3H17N4 non-polymer 0.00 0.00 647 649 C27H38N6O8S1 non-polymer 1.00 0.24 649 64A C13H16N2O7 non-polymer 1.00 0.77 64A 64B C14F1H11N2O4S1 non-polymer 0.97 0.18 64B 64C C12H10N2O2 non-polymer 0.00 0.00 64C 64D C13Cl1H17N2O4S1 non-polymer 0.00 0.00 64D 64E C13H12N2O2 non-polymer 0.00 0.00 64E 64F C14H14N2O2 non-polymer 0.00 0.00 64F 64I C12F8H2O2 non-polymer 0.00 0.00 64I 64J C14F3H11N4O1S2 non-polymer 0.00 0.00 64J 64K C5H10O5 D-saccharide 1.00 1.00 64K 64L Br2C18H17N1O5 non-polymer 0.00 0.00 64L 64M C22F3H19N4O1 non-polymer 0.00 0.00 64M 64N C22Cl2H18N2O4 non-polymer 0.00 0.00 64N 64O C22Cl2H19N3O4 non-polymer 0.00 0.00 64O 64P C10H18N3O8P1 DNA linking 1.00 0.82 64P 64Q C13H13N5 non-polymer 0.00 0.00 64Q 64R C10H11N1O2 non-polymer 0.00 0.00 64R 64S C12H15N3O2 non-polymer 0.00 0.00 64S 64T C10H17N2O9P1 DNA linking 1.00 0.82 64T 64U C21Cl1H30N3O2 peptide-like 0.00 0.00 64U 64Z C10H18O1 non-polymer 0.75 1.00 64Z 650 C10H18 non-polymer 0.50 1.00 650 651 C19H21N1O1 non-polymer 0.00 0.00 651 652 C28Cl1H29N2O3S1 non-polymer 0.45 0.29 652 653 C22H22N5O1 non-polymer 0.00 0.00 653 654 C15H14N2S1 non-polymer 0.00 0.00 654 655 C19H20N4O2 non-polymer 0.00 0.00 655 656 C18H20N4O2 non-polymer 0.56 0.21 656 657 C8F3H5N2O1S1 non-polymer 0.00 0.00 657 658 C15Cl1H14N5 non-polymer 0.00 0.00 658 659 C26F2H24N6O5 non-polymer 1.00 0.33 659 65A C20H21N3O2 non-polymer 0.00 0.00 65A 65B Br1C20H15N6O1 non-polymer 1.00 0.32 65B 65C C22Cl2H18N8 non-polymer 0.00 0.00 65C 65D C15H22O5 non-polymer 0.62 0.30 65D 65H C15H17N5O1S1 non-polymer 0.00 0.00 65H 65J C16H19N5O1S1 non-polymer 0.00 0.00 65J 65K C8H8N2O2 non-polymer 0.00 0.00 65K 65N C15F3H13N6O1 non-polymer 0.00 0.00 65N 65O C17H14N4S2 non-polymer 0.00 0.00 65O 65P C31F2H32N2O4 non-polymer 0.56 0.13 65P 65Q C14F3H11N4O1S2 non-polymer 0.00 0.00 65Q 65R C24H28N4O2S1 non-polymer 0.00 0.00 65R 65S C3F1H3O3 non-polymer 0.95 0.86 65S 65U C21H19N3O4 non-polymer 0.00 0.00 65U 65V C24F1H15N4O4 non-polymer 0.00 0.00 65V 65W C20H18O3 non-polymer 0.81 0.30 65W 65X C21Cl1H19N6 non-polymer 0.00 0.00 65X 65Y C22Cl1H22N1O2 non-polymer 0.00 0.00 65Y 65Z C21Cl2H18N2O2 non-polymer 0.00 0.00 65Z 660 C16H26N2O16P2 non-polymer 1.00 0.61 660 662 C29F1H31N6O5 non-polymer 0.43 0.27 662 663 C23Cl3H18N5O3S1 non-polymer 0.00 0.00 663 664 C24F3H26N7O2 non-polymer 0.00 0.00 664 665 Br1C17H21N2O2 non-polymer 0.00 0.00 665 666 C24H24I1N3O2 non-polymer 0.00 0.00 666 667 C14H15N1O5S1 non-polymer 0.00 0.00 667 668 C25Cl1F3H35N3O3 non-polymer 0.50 0.11 668 669 C22Cl2H21N1O5 non-polymer 0.00 0.00 669 66A C27H29N5O1 non-polymer 0.00 0.00 66A 66B C24H36O3 non-polymer 0.42 0.70 66B 66C C27H26N6O3 L-peptide linking 0.00 0.00 66C 66D C8H17N1O2 L-peptide linking 0.93 0.73 66D 66E C7H15N1O2 L-peptide linking 0.60 1.00 66E 66F C17F2H17N5O3S1 non-polymer 0.00 0.00 66F 66G C8H10N2O3S1 non-polymer 0.00 0.00 66G 66H C21H18N4O3 non-polymer 0.00 0.00 66H 66J C17Cl1H17N4O2S2 non-polymer 0.38 0.08 66J 66K C32F3H36N5O3 non-polymer 0.00 0.00 66K 66L C31F2H29N5O5 non-polymer 0.00 0.00 66L 66M C20H27N7O9 non-polymer 1.00 0.56 66M 66N C3H8N2O1 non-polymer 0.00 0.00 66N 66P C18H21N5O1 non-polymer 0.00 0.00 66P 66R C30F1H31N4O3 non-polymer 0.00 0.00 66R 66S C19H37N2O8P1S1 non-polymer 0.62 0.32 66S 66T C26H33N5O3 non-polymer 0.00 0.00 66T 66U C7H15N1O5 non-polymer 1.00 1.00 66U 66V C15H31N4O5 non-polymer 1.00 0.54 66V 66X C22F3H28N7O2 non-polymer 0.00 0.00 66X 66Y C6H7N1O1 non-polymer 0.00 0.00 66Y 66Z C6H7N1O1 non-polymer 0.00 0.00 66Z 670 C18Fe1H8N4O2S1 non-polymer 0.00 0.00 670 671 C24H26N4O2 non-polymer 0.00 0.00 671 672 C36H54N8O4S1 non-polymer 0.00 0.00 672 673 C21H27N1O1 non-polymer 0.36 0.35 673 675 C18H15N3O1 non-polymer 0.00 0.00 675 676 C22F1H22N5O2 non-polymer 0.00 0.00 676 677 C18F3H16N3O2S1 non-polymer 0.00 0.00 677 678 Br1C17H13N3O3 non-polymer 0.00 0.00 678 679 C17Cl2H10N2O4 non-polymer 1.00 0.44 679 67A C20F3H13N4O2 non-polymer 0.00 0.00 67A 67B C17H17N3O2 non-polymer 0.50 0.18 67B 67C C20H21N3O2 non-polymer 0.50 0.32 67C 67D C23H23N7O7S1 non-polymer 1.00 0.26 67D 67F C28H38N4O9S2 non-polymer 1.00 0.63 67F 67G C16Cl1F6H8N5O1S1 non-polymer 0.00 0.00 67G 67H C18F1H19N4O2S1 non-polymer 0.50 0.15 67H 67J C18F4H15N3O2S1 non-polymer 0.50 0.18 67J 67K C11H8N2O2 non-polymer 0.00 0.00 67K 67L C11H10N2O2 non-polymer 0.00 0.00 67L 67M C37H47N5O13S1 non-polymer 1.00 0.46 67M 67N C8H8N2O1 non-polymer 0.00 0.00 67N 67O C30F1H30N5O4 non-polymer 0.00 0.00 67O 67P C21Cl1F1H17N3O4S1 non-polymer 0.60 0.19 67P 67Q C18F2H19N5O3S2 non-polymer 0.00 0.00 67Q 67R C17Cl1F1H15N5O3S2 non-polymer 0.00 0.00 67R 67S C21F3H27N4O4S1 non-polymer 0.00 0.00 67S 67T C21Cl1H17N8O1 non-polymer 1.00 0.35 67T 67U Br1C13H14N5 non-polymer 0.00 0.00 67U 67W C18H15N3O3 non-polymer 0.00 0.00 67W 67X C10H14N2O2S1 non-polymer 0.00 0.00 67X 67Y C12H15N1O2 non-polymer 0.00 0.00 67Y 67Z C22H28N4O4 non-polymer 0.00 0.00 67Z 680 C5H7N5O3 non-polymer 1.00 0.77 680 681 C23H30N6O4 non-polymer 0.38 0.06 681 682 C15H27N7O3S1 non-polymer 0.00 0.00 682 683 C15H13N1O4 non-polymer 0.00 0.00 683 684 C25H23N7O3 non-polymer 0.81 0.20 684 685 C20H23N5O2S1 non-polymer 0.61 0.25 685 686 Br1C60H59N8O14 non-polymer 0.68 0.23 686 687 C31H34N3O8P1 non-polymer 0.00 0.00 687 688 C22H17N5O5 non-polymer 1.00 0.34 688 689 C18H24O3 non-polymer 0.00 0.00 689 68A C9H8N2O3S1 non-polymer 0.00 0.00 68A 68B C11H9N3O1 non-polymer 0.00 0.00 68B 68C C10H7N5O2S2 non-polymer 0.00 0.00 68C 68D C16H13N3O4S1 non-polymer 0.00 0.00 68D 68E C25H20N2O5S2 non-polymer 0.62 0.09 68E 68F C14H28N2O4 non-polymer 0.00 0.00 68F 68G C55H72Mg1N4O6 non-polymer 0.62 0.26 68G 68H C13H21N1O3 non-polymer 0.39 0.29 68H 68J C37F1H39N4O2 non-polymer 0.38 0.05 68J 68K C38F1H40N5O2 non-polymer 0.38 0.04 68K 68L C25Cl1H20N5O4 non-polymer 0.00 0.00 68L 68M C25H32N4O1 non-polymer 0.38 0.07 68M 68N C10H13N1O1 non-polymer 0.00 0.00 68N 68O C14F2H12O2 non-polymer 0.00 0.00 68O 68P C20F1H21N2O1 non-polymer 0.20 0.12 68P 68Q C14Cl2H10N2O3 non-polymer 0.00 0.00 68Q 68R C25Cl1H19N8O1 non-polymer 0.00 0.06 68R 68T C23H21N1O7S2 non-polymer 0.62 0.09 68T 68U C18H16N4O3S1 non-polymer 0.50 0.15 68U 68V Br1C14H11N2O3 non-polymer 0.00 0.00 68V 68W C20H16N2O3 non-polymer 0.00 0.00 68W 68Y C18H20N2O2 non-polymer 0.00 0.00 68Y 68Z C11H16N5O7P1 DNA linking 1.00 0.38 68Z 690 B1C29F1H28N2O6S1 non-polymer 0.50 0.10 690 691 C11H10N2O1 non-polymer 0.00 0.00 691 692 C12H13N1S1 non-polymer 0.00 0.00 692 693 C24F1H17N4O5 non-polymer 0.46 0.32 693 694 Br1C13H9O6S1 non-polymer 0.00 0.00 694 695 C15H18N2O3S1 non-polymer 0.00 0.00 695 696 C21H17N3O1 non-polymer 0.00 0.00 696 697 C15H9N1O3 non-polymer 0.00 0.00 697 698 C24H30N2O5S1 non-polymer 0.38 0.06 698 699 C22F3H22N1O5S1 non-polymer 0.00 0.00 699 69A C18H19N3O2 non-polymer 0.00 0.00 69A 69B C21H22N4O1 non-polymer 0.00 0.00 69B 69C C17H15N3O1S2 non-polymer 0.00 0.00 69C 69D Br1C20H21N2O1 non-polymer 0.20 0.12 69D 69E C22H22N6O1 non-polymer 0.00 0.00 69E 69F C23H22N2O2 non-polymer 0.00 0.00 69F 69G C20H21N3O2 non-polymer 0.50 0.36 69G 69H C19F1H23O2 non-polymer 0.00 0.00 69H 69J C14F1H12N1O4 non-polymer 0.00 0.00 69J 69K C14F1H14N1O2 non-polymer 0.00 0.00 69K 69M C21H18N4O1 non-polymer 0.00 0.00 69M 69O C5H8O3 non-polymer 0.69 0.88 69O 69P C9H12N6 non-polymer 0.00 0.00 69P 69Q C19F6H17N7O1 non-polymer 0.50 0.18 69Q 69R C19H17N5O2 non-polymer 0.00 0.00 69R 69S C21H18N4O2 non-polymer 0.00 0.00 69S 69T C15H13N3O2 non-polymer 0.00 0.00 69T 69U C22H19N3O3 non-polymer 0.00 0.00 69U 69V C25H25N7O3S2 non-polymer 0.00 0.00 69V 69W C15H14N4 non-polymer 0.00 0.00 69W 69Y C17F3H19N2O2 non-polymer 0.00 0.00 69Y 69Z C16Cl1H15N4O1S1 non-polymer 0.00 0.00 69Z 6A0 C8H16N2O4 non-polymer 0.00 0.00 6A0 6A1 C19H25N4O3 non-polymer 0.20 0.12 6A1 6A4 C17H32O4P1S2 non-polymer 0.62 0.25 6A4 6A5 C19Cl2H19N5O2 non-polymer 0.00 0.00 6A5 6A6 C19F1H19N4O1 non-polymer 0.00 0.00 6A6 6A7 C18Cl1H17N4O1 non-polymer 0.00 0.00 6A7 6A8 B1C25H35N6O5 non-polymer 0.00 0.00 6A8 6A9 C16H33N1O5 non-polymer 1.00 0.73 6A9 6AB C7H7N1O2 non-polymer 0.00 0.00 6AB 6AC C3H3N1 non-polymer 0.25 0.75 6AC 6AD C11H17N5O10P2S1 non-polymer 1.00 0.34 6AD 6AE C14H19N5O3S1 non-polymer 0.50 0.26 6AE 6AF Br1C17H21N4O3S1 non-polymer 0.75 0.23 6AF 6AH C6H15N1O1 non-polymer 0.00 0.00 6AH 6AI C7H7N3 non-polymer 0.00 0.00 6AI 6AJ C21F1H21N8O2 non-polymer 0.00 0.00 6AJ 6AK C39Cl2H39N5O4 non-polymer 0.00 0.00 6AK 6AL C33Cl2H32N4O4 non-polymer 0.00 0.00 6AL 6AM C3H5N5O1 non-polymer 1.00 0.89 6AM 6AN C16H13N1O3S1 non-polymer 0.00 0.00 6AN 6AO C19H23N3O1 non-polymer 0.00 0.00 6AO 6AP C5H6N6 non-polymer 0.00 0.00 6AP 6AQ C9F1H7N2 non-polymer 0.00 0.00 6AQ 6AR Br1C9H7N2 non-polymer 0.00 0.00 6AR 6AS C21H32O4S1 non-polymer 0.95 0.23 6AS 6AT C11H18N5O13P3S1 non-polymer 1.00 0.30 6AT 6AU C11H15N2O10P1 non-polymer 1.00 0.83 6AU 6AV C9Cl1H8N3 non-polymer 0.00 0.00 6AV 6AW C25H40N6O5S2 non-polymer 0.50 0.42 6AW 6AX C9Cl1H8N3O1 non-polymer 0.00 0.00 6AX 6AY C13Cl1H12N5 non-polymer 0.00 0.00 6AY 6AZ C9H12N5O9P1 non-polymer 1.00 0.75 6AZ 6B0 C7Cl2H6O1 non-polymer 0.00 0.00 6B0 6B1 C8Cl2H6N2O1 non-polymer 0.00 0.00 6B1 6B2 C26Cl1H30N3O4S1 non-polymer 0.00 0.00 6B2 6B3 C27H18N2O4 non-polymer 0.00 0.00 6B3 6B4 C21H26N4O2S1 non-polymer 0.00 0.00 6B4 6B5 C16H12O6 non-polymer 0.00 0.00 6B5 6B6 H4O4Pt1 non-polymer 0.00 0.00 6B6 6B7 C15H23N1O6S1 non-polymer 0.65 0.70 6B7 6B8 C11H17N1O4S1 non-polymer 0.50 0.53 6B8 6B9 C21H13N1O5S1 non-polymer 0.00 0.00 6B9 6BB C20F1H21N4O1 non-polymer 0.00 0.00 6BB 6BC C14Cl1H9N4O1 non-polymer 0.00 0.00 6BC 6BD C17H15N1O3 non-polymer 0.81 0.33 6BD 6BE C23H29N5O1 non-polymer 0.56 0.17 6BE 6BF C25H32N6O1 non-polymer 0.00 0.00 6BF 6BG Br1C6H11O5 non-polymer 1.00 0.92 6BG 6BH C20H16N2O4 non-polymer 0.00 0.00 6BH 6BJ C21H17N5O1 non-polymer 0.00 0.00 6BJ 6BK C15H10O5 non-polymer 0.00 0.00 6BK 6BL C11H8N2O2 non-polymer 0.00 0.00 6BL 6BM C5H10N1O5P1 non-polymer 0.00 0.00 6BM 6BN C26Cl2H31N3O5 non-polymer 0.64 0.17 6BN 6BP Br6Pt1 non-polymer 0.00 0.00 6BP 6BQ C42H74N1O18P1 non-polymer 1.00 0.34 6BQ 6BR C4H8N1O7V1 L-peptide linking 0.67 0.62 6BR 6BS C25H31N3O1 non-polymer 0.38 0.07 6BS 6BT C10H13N1O1 non-polymer 0.00 0.00 6BT 6BU C20H20N4O3S1 non-polymer 0.00 0.00 6BU 6BW C15H24 non-polymer 0.38 0.20 6BW 6BX C7H15N1O5S1 non-polymer 0.00 0.00 6BX 6BY C7H15N1O5S1 non-polymer 0.00 0.00 6BY 6BZ C22Cl1H22N7O2 non-polymer 0.00 0.00 6BZ 6C0 C18Cl2H16N2O5 non-polymer 0.97 0.15 6C0 6C1 B1C13Cl1H12O3 non-polymer 0.00 0.00 6C1 6C2 C9H15N1O7 non-polymer 1.00 0.94 6C2 6C3 C19Cl1H13N2O2 non-polymer 0.00 0.00 6C3 6C4 C12H21N1O1 non-polymer 0.00 0.00 6C4 6C5 C11H20N2O1 non-polymer 0.00 0.00 6C5 6C6 C15H22N5O7P1 non-polymer 1.00 0.36 6C6 6C7 C5H12O6P2S1 non-polymer 0.38 0.29 6C7 6C8 C11H13N1O2 non-polymer 0.23 0.57 6C8 6C9 C10H18N2O2 non-polymer 0.00 0.00 6C9 6CA C32H31N1O6 non-polymer 0.00 0.00 6CA 6CB C23F1H19N6O1 non-polymer 0.00 0.00 6CB 6CC C9Cl1H8N3O2S2 non-polymer 0.00 0.00 6CC 6CD C20H23N5O2 non-polymer 0.39 0.19 6CD 6CE C20H24N7O6P1S1 non-polymer 1.00 0.26 6CE 6CF C10F2H16N3O12P3 non-polymer 1.00 0.30 6CF 6CG C10H14N5O7P1S1 non-polymer 1.00 0.38 6CG 6CH C23H32N4O3 non-polymer 0.00 0.00 6CH 6CJ C33H30N2O6S1 non-polymer 0.45 0.21 6CJ 6CK C16F3H22N5O15P2 non-polymer 1.00 0.51 6CK 6CL C7H15N2O4 L-peptide linking 0.56 1.00 6CL 6CM C24H47N1O3 non-polymer 0.61 0.36 6CM 6CN C10H12N3O9P1 non-polymer 1.00 0.43 6CN 6CO C40Fe1H37N4O4 non-polymer 0.38 0.08 6CO 6CP C18Cl1H20N5O1 non-polymer 0.00 0.00 6CP 6CQ C41Fe1H39N4O4 non-polymer 0.38 0.08 6CQ 6CR C10Cl1H12N5O4 non-polymer 1.00 0.50 6CR 6CS C6H10N2O3 non-polymer 0.00 0.00 6CS 6CT C12H19N2O7P1 DNA linking 1.00 0.82 6CT 6CU C21H26N2 non-polymer 0.00 0.00 6CU 6CV Br1C9H10N1O2 L-peptide linking 0.00 0.00 6CV 6CW C11Cl1H11N2O2 L-peptide linking 0.00 0.00 6CW 6CX C18H25N9O5 non-polymer 1.00 0.31 6CX 6CY C28H24N6O3 non-polymer 0.00 0.00 6CY 6CZ C19H27N7O8 non-polymer 1.00 0.74 6CZ 6D0 Br1C17H24N7O6 non-polymer 1.00 0.32 6D0 6D1 C16Cl1H24N7O5 non-polymer 1.00 0.34 6D1 6D2 C18H30N10O5 non-polymer 1.00 0.30 6D2 6D3 C22H33N11O7 non-polymer 1.00 0.25 6D3 6D4 C16H28N10O5 non-polymer 1.00 0.32 6D4 6D5 C17H26N10O5 non-polymer 1.00 0.31 6D5 6D6 C17H28N8O5 non-polymer 1.00 0.33 6D6 6D7 C18H17N3O2 non-polymer 0.50 0.17 6D7 6D8 C18F4H17N3O3 non-polymer 0.00 0.00 6D8 6DA C28H25N7O1S1 non-polymer 0.00 0.00 6DA 6DB C9H18N4O4 non-polymer 0.64 0.88 6DB 6DC C19H19N5O3S1 non-polymer 0.00 0.00 6DC 6DD C22H21N5O7 non-polymer 0.68 0.35 6DD 6DE C14Cl1H15N2O2 non-polymer 0.75 0.26 6DE 6DF C16H19N2O5P1 non-polymer 0.27 0.29 6DF 6DG C19F2H19N5O1 non-polymer 0.00 0.00 6DG 6DH C11F3H11N2O1 non-polymer 0.00 0.00 6DH 6DJ C11H20N2O3S1 non-polymer 1.00 0.59 6DJ 6DK C15F3H20N1O3 non-polymer 0.00 0.00 6DK 6DL Br1C14F1H9N3O3 non-polymer 0.00 0.00 6DL 6DM C12H22O11 non-polymer 1.00 1.00 6DM 6DN C8H16N2O4 non-polymer 0.00 0.00 6DN 6DO C39H65N5O8 non-polymer 0.48 0.83 6DO 6DP C8H9N3O2S1 non-polymer 0.00 0.00 6DP 6DQ C13H8N2O1S1 non-polymer 0.00 0.00 6DQ 6DR C21H21N5O1 non-polymer 0.00 0.07 6DR 6DS C29F6H34O5 non-polymer 0.85 0.22 6DS 6DT C20H16N6O1 non-polymer 0.00 0.00 6DT 6DU Br1C9H10N1O2 L-peptide linking 0.00 0.00 6DU 6DV C20F2H21N9O1 non-polymer 0.00 0.00 6DV 6DW C28H27N7O2 non-polymer 0.00 0.00 6DW 6DX C21H25N9O1 non-polymer 0.00 0.00 6DX 6DY C21H24N8O1 non-polymer 0.00 0.00 6DY 6DZ C15H21N9O1 non-polymer 0.00 0.00 6DZ 6E0 C18H39O3P1 non-polymer 0.00 0.00 6E0 6E1 C28F8H28N2O12S1 non-polymer 1.00 0.71 6E1 6E2 C23H28N8O4 non-polymer 0.00 0.00 6E2 6E3 C10H12N2O2 non-polymer 0.00 0.00 6E3 6E4 C5H11N3O2 L-peptide linking 0.00 0.00 6E4 6E5 C29H31N5O2S2 non-polymer 0.37 0.24 6E5 6E6 C26F3H27N6O2S1 non-polymer 0.00 0.00 6E6 6E7 C20H17N3O3 non-polymer 0.00 0.00 6E7 6E8 C11H12N4O1 non-polymer 0.00 0.00 6E8 6E9 C16H15N3O5S1 non-polymer 0.00 0.00 6E9 6EA C24H21N5O1 non-polymer 0.00 0.00 6EA 6EB C15F3H14N5O2 non-polymer 0.00 0.00 6EB 6EC C20H16N2O4 non-polymer 0.00 0.00 6EC 6ED C20F3H20N5O2 non-polymer 0.00 0.00 6ED 6EE C30Cl1F6H30N5O4 non-polymer 0.00 0.00 6EE 6EF C38H42N4O6 non-polymer 0.00 0.00 6EF 6EG C34H38N4O4 non-polymer 0.00 0.00 6EG 6EH C24H31N3O4 non-polymer 0.00 0.00 6EH 6EJ C24F1H26N5O3 non-polymer 0.00 0.00 6EJ 6EK C24Cl1H35N10O10 non-polymer 0.48 0.51 6EK 6EL C13H10N2O4 non-polymer 1.00 0.47 6EL 6EM C7H17N2O1 non-polymer 0.20 0.30 6EM 6EN C14H12N4O2 non-polymer 0.00 0.00 6EN 6EO C14Cl1H11N2O3 non-polymer 0.00 0.00 6EO 6EP C17Cl1H14N3O3 non-polymer 0.00 0.00 6EP 6EQ C20H16N2O4 non-polymer 0.00 0.00 6EQ 6ES C24H45O13P1 non-polymer 1.00 0.68 6ES 6ET C19Cl1H21N2O2S1 non-polymer 0.00 0.00 6ET 6EU C37H40O9 non-polymer 0.39 0.24 6EU 6EV C10H8O1S2 non-polymer 0.00 0.00 6EV 6EW C23F3H27N2O4S1 non-polymer 0.00 0.00 6EW 6EX C5H6N2O1 non-polymer 0.00 0.00 6EX 6EY C21Cl1H16N1O3S2 non-polymer 1.00 0.50 6EY 6EZ C20F1H21N2O2 non-polymer 0.00 0.00 6EZ 6F0 C7F1H6N1O2 non-polymer 0.00 0.00 6F0 6F1 C20F3H21N2O4S1 non-polymer 0.00 0.00 6F1 6F2 C27Cl1H28N9O1 non-polymer 0.00 0.00 6F2 6F3 C14H12N2O4S1 non-polymer 0.00 0.00 6F3 6F4 C7H8N4S2 non-polymer 0.00 0.00 6F4 6F5 C8H16O2 non-polymer 0.00 0.00 6F5 6F7 C10H15N2O8P1 RNA linking 1.00 0.81 6F7 6F8 C21H32O2 non-polymer 0.38 0.39 6F8 6F9 C27H35N3O5 non-polymer 0.00 0.00 6F9 6FA C27H33N9O16P2 non-polymer 1.00 0.41 6FA 6FB C11H8N4 non-polymer 0.00 0.00 6FB 6FC C10F3H15N3O7P1S1 RNA linking 1.00 0.36 6FC 6FD C11H9N5 non-polymer 0.00 0.00 6FD 6FE C24H28N2O1 non-polymer 0.20 0.11 6FE 6FF C18F1H19N4O5S1 non-polymer 0.00 0.00 6FF 6FG C11H15N1O2 non-polymer 0.00 0.00 6FG 6FH C9H18O2 non-polymer 0.00 0.00 6FH 6FJ C21F1H17N4O5 non-polymer 0.50 0.13 6FJ 6FK C18H21N6O8P1 DNA linking 1.00 0.27 6FK 6FL C6F6H7N1O2 L-peptide linking 0.00 0.00 6FL 6FM C12F1H13N5O6P1 DNA linking 1.00 0.44 6FM 6FN C12F1H15N5O12P3 non-polymer 1.00 0.33 6FN 6FP C7H5N5O2 non-polymer 0.00 0.00 6FP 6FQ C19H10N8O2 non-polymer 0.00 0.00 6FQ 6FR C11H21N1O2S1 non-polymer 0.00 0.00 6FR 6FS C21H25N1O8S1 non-polymer 0.25 0.06 6FS 6FT C19H16N2O6S1 non-polymer 1.00 0.39 6FT 6FU C10F3H14N2O8P1S1 RNA linking 1.00 0.36 6FU 6FV C18H10N4O3 non-polymer 0.00 0.00 6FV 6FW C16Cl1H15N5O7P1S1 non-polymer 1.00 0.32 6FW 6FX C14H10N2O4 non-polymer 0.97 0.20 6FX 6FY C10H19N2O7P1 non-polymer 0.81 0.95 6FY 6FZ C10H10O2 non-polymer 0.00 0.00 6FZ 6G0 C11H20N5O17P4 non-polymer 1.00 0.27 6G0 6G1 C20H25N3O3S1 non-polymer 0.00 0.00 6G1 6G2 C19H21N5O1S1 non-polymer 0.00 0.00 6G2 6G3 C27F3H23N6O1 non-polymer 0.00 0.00 6G3 6G4 C15H28N2O4 peptide linking 0.00 0.00 6G4 6G6 C13Cl2H21N5O16P4 non-polymer 1.00 0.25 6G6 6G7 C14F1H10N3O3 non-polymer 0.00 0.00 6G7 6G9 Br2C14H8N4O4S1 non-polymer 0.00 0.00 6G9 6GA C17F1H17N2O3 non-polymer 0.00 0.00 6GA 6GB C12H23O14P1 non-polymer 1.00 0.85 6GB 6GC C20F1H21N4O4 non-polymer 0.50 0.14 6GC 6GD C20F1H19N4O2S1 non-polymer 0.38 0.07 6GD 6GE C17H16N2O3S1 non-polymer 0.00 0.00 6GE 6GF C23H22N6O1 non-polymer 0.00 0.00 6GF 6GG C35Cl2F1H33N4O5 non-polymer 0.62 0.13 6GG 6GH C20H18N6S1 non-polymer 0.00 0.00 6GH 6GJ C11H20N2O4S1 non-polymer 1.00 0.61 6GJ 6GK C23H22N6O1 non-polymer 0.00 0.00 6GK 6GL C5H12N1O6P1 L-peptide linking 0.64 0.69 6GL 6GM C22H20N6O1 non-polymer 0.00 0.00 6GM 6GN C33H45N5O7S2 non-polymer 0.67 0.21 6GN 6GO C6H7N5O1 non-polymer 0.00 0.00 6GO 6GP C9H15N1O8 non-polymer 1.00 0.94 6GP 6GQ C19H24N4O3S1 non-polymer 0.00 0.00 6GQ 6GS C10F1H15N2O11P2 non-polymer 1.00 0.38 6GS 6GT C7H10O5 non-polymer 0.69 0.58 6GT 6GU C5Cl1H4N5 non-polymer 0.00 0.00 6GU 6GV C18F1H19N4O5S1 non-polymer 0.36 0.14 6GV 6GW C22H20N4O4S1 non-polymer 0.50 0.13 6GW 6GX C25H29N3O3 non-polymer 0.00 0.00 6GX 6GY C29Cl1H39N7O2P1 non-polymer 0.25 0.07 6GY 6GZ Br1C27H28N1O3 non-polymer 0.00 0.00 6GZ 6H0 C19H23N3O5S1 non-polymer 0.00 0.00 6H0 6H1 C15F3H11O3 non-polymer 0.00 0.00 6H1 6H2 C13H10N2O2 non-polymer 0.00 0.00 6H2 6H3 C24Cl1H28N7O1 non-polymer 0.00 0.00 6H3 6H4 C24Cl1H25N6O2 non-polymer 0.38 0.15 6H4 6H5 C30H35N5O5 non-polymer 0.20 0.10 6H5 6H6 C10H9N1O4 non-polymer 0.00 0.00 6H6 6H8 C9H12N6 non-polymer 0.00 0.00 6H8 6H9 C9H11N5O1 non-polymer 0.00 0.00 6H9 6HA C11H16N5O6P1 DNA linking 1.00 0.43 6HA 6HB C14H20N5O7P1 DNA linking 1.00 0.56 6HB 6HC C10H16N3O7P1 DNA linking 1.00 0.48 6HC 6HD C9H10N4O1 non-polymer 0.00 0.00 6HD 6HE C32Fe1H30N4O2 non-polymer 0.38 0.10 6HE 6HF C26H27N7O2 non-polymer 0.38 0.14 6HF 6HG C11H16N5O7P1 DNA linking 1.00 0.42 6HG 6HH C23Cl1H21N2O2 non-polymer 0.00 0.00 6HH 6HI C27F2H31N3O5 non-polymer 0.36 0.11 6HI 6HJ C22H23N7O1 non-polymer 0.38 0.17 6HJ 6HK C20H18N4O3 non-polymer 0.56 0.22 6HK 6HL C23H22N6O1 non-polymer 0.38 0.17 6HL 6HM C16H14O4 non-polymer 0.65 0.45 6HM 6HN C6H12N2O4 L-peptide linking 0.00 0.00 6HN 6HO C11F1H10N1O1 non-polymer 0.00 0.00 6HO 6HP C10H16N2O3 non-polymer 1.00 0.87 6HP 6HQ C6H10N2O2 non-polymer 1.00 0.90 6HQ 6HR C20H22N2O1S1 non-polymer 0.00 0.00 6HR 6HS C19H36N4O8 non-polymer 1.00 0.97 6HS 6HT C11H17N2O8P1 DNA linking 1.00 0.82 6HT 6HU C23H30N4O3 non-polymer 0.61 0.23 6HU 6HV C18H15N1O1S1 non-polymer 0.00 0.00 6HV 6HW C17H16N2S1 non-polymer 0.00 0.00 6HW 6HX C13Cl1H12N1 non-polymer 0.00 0.00 6HX 6HY C9H9N1O4 non-polymer 0.69 0.50 6HY 6HZ C19H19N1O1 non-polymer 0.00 0.00 6HZ 6IA C15H24N5O7P1 RNA linking 1.00 0.36 6IA 6IG C27H35N5O1 non-polymer 0.56 0.15 6IG 6IN C22H24N2O4 non-polymer 0.81 0.25 6IN 6IP C15H15N3 non-polymer 0.00 0.00 6IP 6IR C18H27N5O4S2 non-polymer 0.00 0.00 6IR 6J0 C17F1H19N6 non-polymer 0.00 0.00 6J0 6J1 C7H6N2O5 non-polymer 0.00 0.00 6J1 6J2 C19H22N3O12P1 non-polymer 1.00 0.49 6J2 6J3 C13Cl1H11N2O2 non-polymer 0.00 0.00 6J3 6J4 C34H43N6O21P1 non-polymer 1.00 0.71 6J4 6J5 C8Cl1H7N4O1 non-polymer 0.00 0.00 6J5 6J6 C15H12O5 non-polymer 0.00 0.00 6J6 6J7 Br1C10H11N5O7P1 non-polymer 1.00 0.42 6J7 6J8 C15H24N1O6P1 non-polymer 0.44 0.26 6J8 6J9 C10H13N5 non-polymer 0.00 0.00 6J9 6JA C9H11N3O3Se1 non-polymer 1.00 0.81 6JA 6JB C15H24N1O6P1 non-polymer 0.44 0.26 6JB 6JC C12H11N3O1 non-polymer 0.00 0.00 6JC 6JD C12H10O4S1 non-polymer 0.00 0.00 6JD 6JE C25Cl1H22N5O2S1 non-polymer 0.00 0.00 6JE 6JF C26H22N4O3 non-polymer 0.00 0.00 6JF 6JG C20H15N3O2S1 non-polymer 0.00 0.00 6JG 6JH C17H11N3O1S1 non-polymer 0.00 0.00 6JH 6JJ C15H10N4O1S1 non-polymer 0.00 0.00 6JJ 6JM C15H10O6 non-polymer 0.00 0.00 6JM 6JN C5H6O5 non-polymer 0.96 1.00 6JN 6JO C15H10O5 non-polymer 0.00 0.00 6JO 6JP C16H14O6 non-polymer 0.00 0.00 6JP 6JQ C33H34N4O4 non-polymer 0.00 0.00 6JQ 6JR C18H16N5O7P1 non-polymer 1.00 0.32 6JR 6JS C20H15N5O3 non-polymer 0.00 0.00 6JS 6JT C20H23N3O4 non-polymer 0.00 0.00 6JT 6JU Br1C17H15N2O2 non-polymer 0.00 0.00 6JU 6JV C23H28N6O4S1 non-polymer 0.00 0.00 6JV 6JW Br1C8H11N2O3 non-polymer 1.00 0.93 6JW 6JX C14H14N6O3 non-polymer 0.62 0.17 6JX 6JY C13H18N4O3 non-polymer 0.55 0.45 6JY 6JZ C12H26O5 non-polymer 0.88 1.00 6JZ 6K0 C22F2H19N7O2 non-polymer 0.36 0.12 6K0 6K1 C23Cl1H21N6O2 non-polymer 0.36 0.12 6K1 6K2 C24H20N6O2 non-polymer 0.36 0.12 6K2 6K3 C13F1H25O5 non-polymer 1.00 0.58 6K3 6K4 C23Cl1H22N7O3 non-polymer 0.62 0.09 6K4 6K5 C18Cl1F3H21N7O2 non-polymer 0.00 0.00 6K5 6K6 C15H18N5O8P1 non-polymer 1.00 0.34 6K6 6K7 C19Cl1F3H22N6O2 non-polymer 0.00 0.00 6K7 6K8 C15H21N5O4 non-polymer 0.50 0.54 6K8 6K9 C40H59N1O11 non-polymer 1.00 0.35 6K9 6KA C18Cl1F1H17N7S1 non-polymer 0.00 0.00 6KA 6KB C19H30N5O19P3 non-polymer 1.00 0.63 6KB 6KC C25H23N5O3S1 non-polymer 0.00 0.00 6KC 6KD C22H25N5O4S1 non-polymer 0.58 0.12 6KD 6KE C20Cl1H16N5O4S2 non-polymer 0.00 0.00 6KE 6KF C39H44N6O5 non-polymer 0.70 0.14 6KF 6KG C37H54N6O5 non-polymer 0.70 0.15 6KG 6KH C13F1H25O5 non-polymer 1.00 0.58 6KH 6KJ C10H20N4O3 non-polymer 0.56 0.88 6KJ 6KK C32H48N2O8S1 non-polymer 0.00 0.00 6KK 6KL C14H24N2O9 non-polymer 1.00 0.96 6KL 6KM C6H11N1O3S1 L-peptide linking 0.00 0.00 6KM 6KN C14F3H10N3 non-polymer 0.00 0.00 6KN 6KO C18H19N5O3 non-polymer 0.50 0.27 6KO 6KP C16F1H11N6 non-polymer 0.00 0.00 6KP 6KQ C35H46N2O8S1 non-polymer 0.00 0.00 6KQ 6KR C33H50N2O8S1 non-polymer 0.00 0.00 6KR 6KS C13F1H25O5 non-polymer 1.00 0.58 6KS 6KT C8H7N3O1S1 non-polymer 0.00 0.00 6KT 6KU C13H26O5 non-polymer 1.00 0.61 6KU 6KV C17H24N6S1 non-polymer 0.39 0.21 6KV 6KW C13H26O5 non-polymer 1.00 0.61 6KW 6KX C10H16O1 non-polymer 0.00 0.00 6KX 6KY C7H15N1O2Se1 L-peptide linking 0.59 0.73 6KY 6KZ C23H33N5O5 non-polymer 0.00 0.00 6KZ 6L0 C27H46N6O9 non-polymer 0.00 0.00 6L0 6L1 C14H21N6O8P1 non-polymer 1.00 0.62 6L1 6L2 C23H27N1O7S2 non-polymer 0.62 0.09 6L2 6L3 C11H14O2 non-polymer 0.97 0.31 6L3 6L4 C17Cl1H15N6O2 non-polymer 0.38 0.19 6L4 6L5 C20H28N8O8 non-polymer 1.00 0.31 6L5 6L6 C10H10O2S2 non-polymer 0.50 0.21 6L6 6L7 C16H29N8O5 non-polymer 1.00 0.34 6L7 6L8 C17F6H12N6O1 non-polymer 0.00 0.00 6L8 6L9 C6H10N2O5 non-polymer 0.70 0.69 6L9 6LA C12H19N1O8 D-saccharide 1.00 0.95 6LA 6LB C6H13N1O1 non-polymer 0.00 0.00 6LB 6LC C13H18N8O3 non-polymer 1.00 0.50 6LC 6LD C22H25N1O5 non-polymer 0.60 0.25 6LD 6LE C8Cl1H10N1O1 non-polymer 0.00 0.00 6LE 6LF C21Cl2H19N5O2 non-polymer 0.25 0.07 6LF 6LG C21H25N4O6P1 non-polymer 0.50 0.12 6LG 6LH C7H10N2O2S1 non-polymer 0.00 0.00 6LH 6LI C18Cl1H22N5O9P1 non-polymer 1.00 0.29 6LI 6LJ C24H26N4 non-polymer 0.00 0.00 6LJ 6LK C16Cl1H15N4O4S1 non-polymer 0.50 0.19 6LK 6LL H3O14 non-polymer 0.00 0.00 6LL 6LM C15H22O5 non-polymer 0.34 0.45 6LM 6LN C2H6S2 non-polymer 0.00 0.00 6LN 6LO C26H27N5O2 non-polymer 0.00 0.00 6LO 6LP C17Cl1H17N6 non-polymer 0.00 0.00 6LP 6LQ C27H33N7O3S1 non-polymer 0.00 0.00 6LQ 6LR C4H9N1O1 non-polymer 0.00 0.00 6LR 6LS C13H26O5 non-polymer 1.00 0.61 6LS 6LT C28F2H29N5O2 non-polymer 0.36 0.11 6LT 6LU C15H17N3O3S1 non-polymer 0.00 0.00 6LU 6LV C18H17N5O2 non-polymer 0.00 0.00 6LV 6LW C5H9N1O5 non-polymer 1.00 0.91 6LW 6LX C31Cl1H33N2O3 non-polymer 0.00 0.00 6LX 6LY Br1C8H10N1O1 non-polymer 0.00 0.00 6LY 6LZ C8F1H8N1O1 non-polymer 0.00 0.00 6LZ 6M0 H22O26 non-polymer 0.00 0.00 6M0 6M1 C8H9N1O2 non-polymer 0.00 0.00 6M1 6M3 C21Cl1H18N3O1 non-polymer 0.00 0.00 6M3 6M4 B1C7H8O3 non-polymer 0.00 0.00 6M4 6M5 C33H40N6O4 non-polymer 0.75 0.14 6M5 6M6 C12H16N2O2S2 L-peptide linking 0.44 0.44 6M6 6M8 C20H23N3O1 non-polymer 0.20 0.12 6M8 6M9 B1C7H7O2 non-polymer 0.00 0.00 6M9 6MA C11H16N5O6P1 DNA linking 1.00 0.39 6MA 6MB C18H18N8O4S1 non-polymer 0.00 0.00 6MB 6MC C11H16N5O6P1 RNA linking 1.00 0.39 6MC 6MD C11H15N5O4 non-polymer 1.00 0.50 6MD 6ME C9H14N4 non-polymer 0.00 0.00 6ME 6MG C22H38N3O5P1 non-polymer 0.38 0.06 6MG 6MH C6H7N1O1S1 non-polymer 0.00 0.00 6MH 6MI C12H16N5O8P1 DNA linking 1.00 0.35 6MI 6MJ C6H12O5 non-polymer 1.00 0.91 6MJ 6MK C17H15N3O4 non-polymer 0.60 0.46 6MK 6ML Fe4O2S4 non-polymer 0.00 0.00 6ML 6MM C21H26N6O6 non-polymer 1.00 0.36 6MM 6MN C6H14N1O8P1 non-polymer 1.00 0.75 6MN 6MO H1 non-polymer 0.00 0.00 6MO 6MP C6H6N4 non-polymer 0.00 0.00 6MP 6MQ C18H22N6O5 non-polymer 1.00 0.34 6MQ 6MR C23H19I1N2O4S1 non-polymer 0.00 0.00 6MR 6MS C11H18N5O4P1 non-polymer 0.00 0.00 6MS 6MT C11H16N5O6P1 RNA linking 1.00 0.39 6MT 6MU C5H6N2O2 non-polymer 0.00 0.00 6MU 6MV C30F1H23N4O3 non-polymer 0.46 0.18 6MV 6MW C9H10N2O2S1 non-polymer 0.00 0.00 6MW 6MX C28H39N3O4S1 non-polymer 1.00 0.28 6MX 6MY C15H18N2O5 non-polymer 1.00 0.64 6MY 6MZ C11H16N5O7P1 RNA linking 1.00 0.42 6MZ 6N0 C18F2H16N2O3S1 non-polymer 0.00 0.00 6N0 6N1 C14H20N6O2 non-polymer 0.00 0.00 6N1 6N2 C14H21N7O1 non-polymer 0.00 0.00 6N2 6N3 C27H37N3O5 non-polymer 1.00 0.31 6N3 6N4 C9H10N2O1S1 non-polymer 0.00 0.00 6N4 6N5 C36H43N3O6 non-polymer 0.70 0.51 6N5 6N6 C6H5N3S2 non-polymer 0.00 0.00 6N6 6N8 C20H20N2O1 non-polymer 0.00 0.00 6N8 6N9 C24F2H23N3O4S1 non-polymer 0.00 0.00 6N9 6NA C6H12O2 non-polymer 0.00 0.00 6NA 6NB C52F4H48N6O10S2 non-polymer 0.88 0.14 6NB 6NC C52F4H50N8O9S2 non-polymer 0.50 0.12 6NC 6ND C18F2H17N5O3S2 non-polymer 0.00 0.00 6ND 6NE C19H20N2O5 non-polymer 1.00 0.54 6NE 6NF C15H20N4 non-polymer 0.00 0.00 6NF 6NG C22H38N3O5P1 non-polymer 0.38 0.06 6NG 6NH C17H14N6O1 non-polymer 0.00 0.00 6NH 6NI C7H5N3O2 non-polymer 0.00 0.00 6NI 6NJ C15H14N2 non-polymer 0.00 0.00 6NJ 6NK C14H19N5O2 non-polymer 0.00 0.00 6NK 6NL C19H18O6 non-polymer 0.38 0.08 6NL 6NM C15F3H10N3 non-polymer 0.00 0.00 6NM 6NN C20H34N3O5P1 non-polymer 0.00 0.00 6NN 6NO C61Cl2H88O32 non-polymer 1.00 0.81 6NO 6NP C30H27N5 non-polymer 0.00 0.00 6NP 6NQ Br1C10H16N6O11P3 non-polymer 1.00 0.29 6NQ 6NR C16H20N6O5S1 non-polymer 1.00 0.32 6NR 6NS C18F2H19N5O2 non-polymer 0.44 0.26 6NS 6NT C6H4N4O2 non-polymer 0.00 0.00 6NT 6NU C19F2H19N5O2 non-polymer 0.00 0.00 6NU 6NV C36H43N3O6 non-polymer 0.70 0.51 6NV 6NW C11H16N5O6P1S1 RNA linking 1.00 0.42 6NW 6NX C8H16N2O1 non-polymer 0.00 0.00 6NX 6NY C17H20N2O4 non-polymer 0.50 0.17 6NY 6NZ C14H21N1O1 non-polymer 0.00 0.00 6NZ 6O0 Au1C8Cl1H14N2 non-polymer 0.00 0.00 6O0 6O1 C70Cl2H97N1O38 non-polymer 1.00 0.71 6O1 6O2 C18H18N6O6S1 non-polymer 1.00 0.32 6O2 6O3 C14H13N2O3P1S1 non-polymer 0.00 0.00 6O3 6O5 C7H8O3 non-polymer 0.00 0.00 6O5 6O6 C61H82N2O24 non-polymer 1.00 0.74 6O6 6O7 C59H81N1O24 non-polymer 1.00 0.76 6O7 6O8 C19H39N1O8P1 non-polymer 0.98 0.76 6O8 6O9 C12H24N1O8P1 non-polymer 0.98 0.82 6O9 6OA C6H8O4 non-polymer 0.75 1.00 6OA 6OB C18H30O4 non-polymer 0.46 0.45 6OB 6OC C18H30O4 non-polymer 0.46 0.45 6OC 6OD C6H7N1O3 non-polymer 0.93 0.90 6OD 6OE C17H34N1O8P1 non-polymer 0.98 0.70 6OE 6OG C11H16N5O7P1 DNA linking 1.00 0.38 6OG 6OH C6H6O4 non-polymer 0.62 1.00 6OH 6OJ C12Cl2H10N2O1 non-polymer 0.00 0.00 6OJ 6OK C19H20N6O2 non-polymer 0.00 0.00 6OK 6OL As1C1H5O2 non-polymer 0.00 0.00 6OL 6OM C5H10O2 non-polymer 0.75 1.00 6OM 6ON C54Cl2H66N10O9S2 non-polymer 0.88 0.32 6ON 6OO C10H16N3O7P1S1 RNA linking 1.00 0.45 6OO 6OP C14H21N2O9P1 RNA linking 1.00 0.85 6OP 6OQ B1C6H10N1 non-polymer 0.00 0.00 6OQ 6OR C6Cl2H4O4S1 non-polymer 0.00 0.00 6OR 6OS C11H13N5O3 non-polymer 0.00 0.00 6OS 6OT C6Cl2H5N1O2S1 non-polymer 0.00 0.00 6OT 6OU C39H76N1O8P1 non-polymer 0.98 0.51 6OU 6OV C22H33N5O2 non-polymer 0.00 0.00 6OV 6OW C12H12N4 non-polymer 0.00 0.00 6OW 6OX C29Cl2F2H28N2O4S1 non-polymer 0.45 0.25 6OX 6OY C32H43N5O7 non-polymer 0.65 0.16 6OY 6OZ C17H19N3S1 non-polymer 0.38 0.10 6OZ 6P0 C18H20N4O1 non-polymer 0.00 0.00 6P0 6P1 C17H19N3O1S1 non-polymer 0.00 0.00 6P1 6P2 C18H19N3O1S1 non-polymer 0.00 0.00 6P2 6P3 C12H9N1O2 non-polymer 0.00 0.00 6P3 6P4 C12H12N4 non-polymer 0.00 0.00 6P4 6P5 C14H13N3S1 non-polymer 0.00 0.00 6P5 6P6 C16H13N3O1 non-polymer 0.62 0.15 6P6 6P8 C16H14N4O1 non-polymer 0.00 0.00 6P8 6P9 C36H51N5O2 non-polymer 0.00 0.00 6P9 6PB Br1C11H8N5 non-polymer 0.00 0.00 6PB 6PC C6H5N1O2 non-polymer 0.00 0.00 6PC 6PD C41H60N6O3 non-polymer 0.00 0.00 6PD 6PE C17H33N1O8P1 non-polymer 0.98 0.70 6PE 6PF C21H24N4O6S1 non-polymer 0.00 0.00 6PF 6PG C6H13O10P1 D-saccharide 1.00 0.76 6PG 6PH C31H61O8P1 non-polymer 0.98 0.35 6PH 6PJ C50H65N3O16S4 non-polymer 0.88 0.25 6PJ 6PK C27H31N5O5S1 non-polymer 0.30 0.24 6PK 6PL C42H85N1O8P1 non-polymer 0.98 0.42 6PL 6PM C17H20N4O1 non-polymer 0.00 0.00 6PM 6PN C18H22O2 non-polymer 0.00 0.00 6PN 6PO C13H20N5O7P1 DNA linking 1.00 0.50 6PO 6PP C12H16O2 non-polymer 0.38 0.14 6PP 6PQ C16H17N3O1S1 non-polymer 0.00 0.00 6PQ 6PR C6H11N2O7P1 non-polymer 0.00 0.00 6PR 6PS C16H17N3S1 non-polymer 0.00 0.00 6PS 6PT C21H19N3O4 non-polymer 1.00 0.50 6PT 6PU C26F1H35N4O2S1 non-polymer 0.20 0.09 6PU 6PV C32H34N6O4 non-polymer 0.00 0.00 6PV 6PW C24H33N3O3 non-polymer 0.00 0.00 6PW 6PX C23H31N7O5 non-polymer 0.56 0.20 6PX 6PY C16H27N5O9 non-polymer 1.00 0.90 6PY 6PZ C13H22N2O8 saccharide 1.00 0.78 6PZ 6Q0 C18H18N2O3S1 non-polymer 0.00 0.00 6Q0 6Q1 C26H35N7O1 non-polymer 0.00 0.00 6Q1 6Q2 C21H19N3O2 non-polymer 0.00 0.00 6Q2 6Q3 C8H13N3O2 non-polymer 0.75 0.38 6Q3 6Q4 C28F3H38N7O2 non-polymer 0.50 0.20 6Q4 6Q5 C30H48O3 non-polymer 0.00 0.00 6Q5 6Q6 C25H31N1O6 non-polymer 0.00 0.00 6Q6 6Q7 C27H26N2O4S1 non-polymer 0.38 0.06 6Q7 6Q8 C20F1H18N5O3S1 non-polymer 0.00 0.00 6Q8 6Q9 C12H13N5O2S1 non-polymer 0.00 0.00 6Q9 6QA C32H54N7O21P3S1 non-polymer 1.00 0.52 6QA 6QB C21Cl1F1H18N6O2 non-polymer 0.00 0.00 6QB 6QC C21H36N3O5P1 non-polymer 0.00 0.00 6QC 6QD C10H15N4O4P1 non-polymer 0.00 0.00 6QD 6QE C22F2H22N2O4S1 non-polymer 0.00 0.00 6QE 6QF C12H8N2O1 non-polymer 0.00 0.00 6QF 6QG C21H22N2O4S1 non-polymer 0.00 0.00 6QG 6QH C16Cl1H16N5O3 non-polymer 0.00 0.00 6QH 6QJ C19F1H14N1O3 non-polymer 0.00 0.00 6QJ 6QK C13Cl1H11N2O4S1 non-polymer 1.00 0.38 6QK 6QL C19H18N4O8 non-polymer 1.00 0.58 6QL 6QM C18H18N2O3S1 non-polymer 0.00 0.00 6QM 6QN C11H11N3O3 non-polymer 1.00 1.00 6QN 6QO C18F2H11N1O3 non-polymer 0.00 0.00 6QO 6QP C22Cl1F2H17N2O5S1 non-polymer 0.00 0.00 6QP 6QQ B1C18Cl1H17N2O6 non-polymer 0.00 0.00 6QQ 6QR C18H20N2O4S1 non-polymer 0.50 0.36 6QR 6QS C30H32N2O4 non-polymer 0.95 0.11 6QS 6QT C15H12O4 non-polymer 0.00 0.00 6QT 6QU C18F2H11N1O4 non-polymer 0.00 0.00 6QU 6QV C12H10N1O5P1 non-polymer 0.00 0.00 6QV 6QW C26H31N1O4S2 non-polymer 0.00 0.00 6QW 6QX C17H24N4S1 non-polymer 0.20 0.14 6QX 6QY C19H29N5O1 non-polymer 0.20 0.12 6QY 6QZ C25H36N6O2 non-polymer 0.00 0.00 6QZ 6R0 C25H36N6O2 non-polymer 0.00 0.00 6R0 6R1 C21H31N5O2 non-polymer 0.00 0.00 6R1 6R2 C16Cl2H28O6P2 non-polymer 0.62 0.62 6R2 6R3 C5H7N1O1 non-polymer 0.42 0.57 6R3 6R4 C15H18N4O7S1 non-polymer 0.97 0.30 6R4 6R5 C12H14N4O7S2 non-polymer 0.97 0.16 6R5 6R6 C7H6N2O4 non-polymer 0.00 0.00 6R6 6R7 C7H5N1O5 non-polymer 0.00 0.00 6R7 6R8 C7H8N2O5 non-polymer 0.00 0.00 6R8 6R9 C12H16N5O8P1 non-polymer 1.00 0.58 6R9 6RB C28H30N4O3 non-polymer 0.00 0.00 6RB 6RC C26H27N7O3 non-polymer 0.50 0.14 6RC 6RD C28H27N5O1 non-polymer 0.00 0.00 6RD 6RE C12H19N8O3 non-polymer 1.00 0.43 6RE 6RF C27F1H25N8O1 non-polymer 0.00 0.00 6RF 6RG C22H20N4 non-polymer 0.00 0.00 6RG 6RH C9H13N4O4P1 non-polymer 0.00 0.00 6RH 6RJ C19Cl1H12N5O3S2 non-polymer 0.00 0.00 6RJ 6RK C7H13N1O2 L-peptide linking 0.00 0.00 6RK 6RL C18F1H20N5O2 non-polymer 1.00 0.35 6RL 6RM C18F1H17N2O3S1 non-polymer 0.00 0.00 6RM 6RN C13H14N2O1 non-polymer 0.00 0.00 6RN 6RO C7Cl1H8N1O2S1 non-polymer 0.00 0.00 6RO 6RP C8H8N4O2 non-polymer 0.00 0.00 6RP 6RQ C9H11N3 non-polymer 0.00 0.00 6RQ 6RR C11H16N2O2S1 non-polymer 0.00 0.00 6RR 6RS C17H20N2O2 non-polymer 0.00 0.00 6RS 6RT C17H16N6 non-polymer 0.00 0.00 6RT 6RU C17H20N6 non-polymer 0.20 0.13 6RU 6RV C16Cl1F6H8N5O1S1 non-polymer 0.00 0.00 6RV 6RW C12H18N2O2S1 non-polymer 0.00 0.00 6RW 6RX C18H17N3O4 non-polymer 0.00 0.00 6RX 6RY C16H18N2O2 non-polymer 0.00 0.00 6RY 6RZ C10H16N2O2S1 non-polymer 0.00 0.00 6RZ 6S0 C15H15N3S1 non-polymer 0.00 0.00 6S0 6S1 C27H24N6 non-polymer 0.00 0.00 6S1 6S2 C9H17N1O9S1 non-polymer 1.00 0.75 6S2 6S3 C20Cl1H22N5O1 non-polymer 0.00 0.00 6S3 6S4 C14H20N2O1 non-polymer 0.39 0.29 6S4 6S5 C21H25N3O3 non-polymer 0.00 0.00 6S5 6S6 C15H28N4O6 non-polymer 1.00 0.56 6S6 6S7 C16H26N4O1 non-polymer 0.50 0.24 6S7 6S8 C42H79N1O8 non-polymer 1.00 0.53 6S8 6S9 C20H18N6O1 non-polymer 0.00 0.00 6S9 6SA C37H63N1O28 saccharide 1.00 0.85 6SA 6SB C26H45N1O6S1 non-polymer 0.00 0.00 6SB 6SC Br1C18H14N5 non-polymer 0.00 0.00 6SC 6SD C10H11N3O1 non-polymer 0.00 0.00 6SD 6SE H2Se3 non-polymer 0.00 0.00 6SE 6SF C8Cl2H9N1O1 non-polymer 0.00 0.00 6SF 6SG C23Fe1H22N4O7S1 non-polymer 0.81 0.56 6SG 6SH C28H34N6O3 non-polymer 0.00 0.00 6SH 6SJ C25Cl2H25N3O3 non-polymer 0.00 0.00 6SJ 6SK C22Cl2H25N3O1 non-polymer 0.38 0.07 6SK 6SL C12H9N3 non-polymer 0.00 0.00 6SL 6SM C5Cl1H3N2O2 non-polymer 0.00 0.00 6SM 6SN C9Cl2H7N3 non-polymer 0.00 0.00 6SN 6SO C10Cl1H11N2 non-polymer 0.00 0.00 6SO 6SP C4H9N1O1 non-polymer 0.00 0.00 6SP 6SQ C20Cl1H20N1O2 non-polymer 0.62 0.12 6SQ 6SR C21H20N2O4 non-polymer 0.00 0.00 6SR 6SS C27Cl2F1H26N3O2 non-polymer 0.00 0.00 6SS 6ST C30Cl2F1H26N3O3 non-polymer 0.00 0.00 6ST 6SU C9H11N1O4S1 non-polymer 0.97 0.27 6SU 6SV C12H22N2O2 non-polymer 0.00 0.00 6SV 6SW C10H11N4O7P1 non-polymer 1.00 0.45 6SW 6SX C10H11N4O6P1 non-polymer 1.00 0.48 6SX 6SY C9H11N2O8P1 non-polymer 1.00 0.50 6SY 6SZ C10H12N5O6P1 non-polymer 1.00 0.45 6SZ 6T0 C14H16N4 non-polymer 0.00 0.00 6T0 6T1 C30Cl2H34N4O2 non-polymer 0.00 0.00 6T1 6T2 C26H29N5O2 non-polymer 0.00 0.00 6T2 6T3 C28H32N4O3 non-polymer 0.00 0.00 6T3 6T4 C6H8N2O1S1 non-polymer 0.00 0.00 6T4 6T5 C13H16N4O1 non-polymer 0.00 0.00 6T5 6T6 C21H20N4 non-polymer 0.00 0.00 6T6 6T7 C12H11N3O3 non-polymer 0.00 0.00 6T7 6T8 B1C25H35N6O5 non-polymer 0.00 0.00 6T8 6T9 C19F3H19N4O3 non-polymer 0.00 0.00 6T9 6TA C21H30N4O3 non-polymer 0.56 0.18 6TA 6TB C29H41N7O3 non-polymer 0.00 0.00 6TB 6TC C32H32N4O3S1 non-polymer 0.58 0.10 6TC 6TD C19H15N5O1S1 non-polymer 0.00 0.00 6TD 6TE C12H17N5O2S1 non-polymer 0.00 0.00 6TE 6TF C25F4H24N4O5 non-polymer 0.29 0.11 6TF 6TG C23H23N5O1 non-polymer 0.00 0.00 6TG 6TH C22Cl1H32N3O3 non-polymer 0.00 0.00 6TH 6TJ C15H11N1O3 non-polymer 0.00 0.00 6TJ 6TL C33H40N6O1 non-polymer 0.00 0.00 6TL 6TM C32Cl2H37N7O1 non-polymer 0.00 0.00 6TM 6TN C19H23N3O4 non-polymer 0.00 0.00 6TN 6TO C16H16O7 non-polymer 0.50 0.22 6TO 6TP C19H22N4O3S2 non-polymer 0.50 0.32 6TP 6TS C31Cl1H34N7O3 non-polymer 0.00 0.05 6TS 6TT C20F3H19N6O2 non-polymer 0.00 0.00 6TT 6TU C19H17N1O4 non-polymer 0.38 0.17 6TU 6TV C14H19N3O2S1 non-polymer 0.00 0.00 6TV 6TW C22H23N6O7P1 non-polymer 1.00 0.25 6TW 6TX C14H20N3O2S1 non-polymer 0.00 0.00 6TX 6TY C14H17N3O2S1 non-polymer 0.00 0.00 6TY 6TZ C9F1H7N2 non-polymer 0.00 0.00 6TZ 6U0 C17H20N5O7P1 non-polymer 1.00 0.40 6U0 6U1 C19H17N5O3S2 non-polymer 0.00 0.00 6U1 6U2 C26H30N6O2S1 non-polymer 0.00 0.00 6U2 6U3 C28H32N4O7S1 non-polymer 0.40 0.18 6U3 6U4 C10H16N5O13P3 non-polymer 1.00 0.29 6U4 6U5 C12H17N3O2S1 non-polymer 0.00 0.00 6U5 6U6 C10Cl1H8N1O2S1 non-polymer 0.00 0.00 6U6 6U7 C23H21N3O3 non-polymer 0.00 0.00 6U7 6U8 Br1C25H33N2O2 non-polymer 0.00 0.07 6U8 6U9 C21H26N2O7 non-polymer 0.97 0.40 6U9 6UA C4H5N3O2 non-polymer 1.00 1.00 6UA 6UB C20Cl1H25N2O5 non-polymer 1.00 0.82 6UB 6UC Br1C22H29N2O5 non-polymer 1.00 0.83 6UC 6UD C11H20N4O7 non-polymer 1.00 0.91 6UD 6UE C25H20N4O1 non-polymer 0.00 0.00 6UE 6UF C20H17N3O1S1 non-polymer 0.00 0.00 6UF 6UG C20F5H13N2O1 non-polymer 0.00 0.00 6UG 6UH C19F3H16N3O2 non-polymer 0.00 0.00 6UH 6UI C19H15N3O1 non-polymer 0.00 0.00 6UI 6UJ C22H18N4O1 non-polymer 0.00 0.00 6UJ 6UK C20F3H17N4O1 non-polymer 0.00 0.00 6UK 6UL C40H80O2 non-polymer 0.58 0.19 6UL 6UM C17H15N5O1 non-polymer 0.00 0.00 6UM 6UN C6H6O4 non-polymer 0.56 1.00 6UN 6UO C21H24N2O6S1 non-polymer 0.97 0.37 6UO 6UP C11H11N3 non-polymer 0.00 0.00 6UP 6UQ C61Cl2H90O32 non-polymer 1.00 0.81 6UQ 6UR C20H24N7O6P1 non-polymer 1.00 0.29 6UR 6US C20H24N7O6P1 non-polymer 1.00 0.29 6US 6UT C22H27N8O8P1 non-polymer 1.00 0.49 6UT 6UU C10H13N2O3P1 non-polymer 0.00 0.00 6UU 6UV C20H22N8O5 non-polymer 0.68 0.36 6UV 6UW C16Cl1F1H11N1O3 non-polymer 0.00 0.00 6UW 6UX C25F3H22N7O4S1 non-polymer 0.00 0.00 6UX 6UY C19F1H15N4O3 non-polymer 0.35 0.37 6UY 6UZ C23H42O11 non-polymer 1.00 0.79 6UZ 6V0 C21H29N7O14P2 non-polymer 1.00 0.52 6V0 6V1 C9H14N2O4S1 L-peptide linking 1.00 0.44 6V1 6V2 C27H31N5O4S1 non-polymer 0.00 0.00 6V2 6V3 C29H28N6O2 non-polymer 0.00 0.00 6V3 6V4 C32H34N6O4S1 non-polymer 0.58 0.09 6V4 6V5 C32H33N5O4S1 non-polymer 0.58 0.10 6V5 6V6 C38H73O10P1 non-polymer 1.00 0.55 6V6 6V7 B1C21H28N3O5 non-polymer 0.50 0.33 6V7 6V8 B1C14Cl2H19N2O4 non-polymer 0.00 0.00 6V8 6V9 C5H5N1O2S1 peptide linking 0.00 0.00 6V9 6VA C12H19N1O2 non-polymer 0.70 0.47 6VA 6VB Br1C28H23O13S3 non-polymer 0.00 0.00 6VB 6VC C20H40N2O6 non-polymer 0.80 0.68 6VC 6VD C11H11N1O1 non-polymer 0.00 0.00 6VD 6VF C10H15N1O3 non-polymer 0.00 0.00 6VF 6VG C13H25N2O8P1S1 non-polymer 0.62 0.40 6VG 6VH C32F6H40O4 non-polymer 0.56 0.12 6VH 6VJ C34H28O13S3 non-polymer 0.00 0.00 6VJ 6VK C22H25N3O1 non-polymer 0.00 0.00 6VK 6VL C20H23N3O1 non-polymer 0.00 0.00 6VL 6VM C24H31N3O1 non-polymer 0.38 0.07 6VM 6VN C26H33N3O2 non-polymer 0.00 0.00 6VN 6VO C9H21N1O2 non-polymer 0.70 0.58 6VO 6VP C7H4N2O3 non-polymer 0.00 0.00 6VP 6VQ C22H34N10O19P4S2 non-polymer 1.00 0.35 6VQ 6VR C23H35N5O2 non-polymer 0.38 0.07 6VR 6VS C27H46N6O4 non-polymer 0.56 0.24 6VS 6VT C19Cl1H16N1O3 non-polymer 0.00 0.00 6VT 6VU C27H41N5O4 non-polymer 0.56 0.14 6VU 6VV C5H10O2 non-polymer 0.00 0.00 6VV 6VW C18H26O2 non-polymer 0.00 0.00 6VW 6VX C15H12N2O4S2 non-polymer 0.00 0.00 6VX 6VY C14H13N1O4S1 non-polymer 0.00 0.00 6VY 6VZ C27H36N6O4 non-polymer 0.00 0.00 6VZ 6W0 C16H16N2O2S1 non-polymer 0.45 0.29 6W0 6W1 C26H27N3O3S1 non-polymer 0.00 0.00 6W1 6W2 C10H10N2O3S2 non-polymer 0.00 0.00 6W2 6W3 C27H29N3O3S1 non-polymer 0.00 0.00 6W3 6W4 C32H34N6O2 non-polymer 0.00 0.00 6W4 6W5 C14H26N3O8P1 non-polymer 0.62 0.58 6W5 6W6 C9Cl2H5N1O2S1 non-polymer 0.00 0.00 6W6 6W7 C10H14N5O5P1 non-polymer 0.00 0.00 6W7 6W8 C10H15N6O5P1 non-polymer 0.00 0.00 6W8 6W9 C13H23N5O7P2 non-polymer 0.00 0.00 6W9 6WA C13H22N4O7P2 non-polymer 0.00 0.00 6WA 6WB C12H20N5O6P1 non-polymer 0.00 0.00 6WB 6WC C11H18N4O9P2 non-polymer 0.61 0.27 6WC 6WD C15F2H14N4S1 non-polymer 0.00 0.00 6WD 6WE C16F2H17N3O1S1 non-polymer 0.00 0.00 6WE 6WF C17Fe1H18N3O1S1 non-polymer 0.00 0.00 6WF 6WG C12H15N1O1 non-polymer 0.00 0.00 6WG 6WH C31H38N6O3 non-polymer 0.00 0.00 6WH 6WJ C21H26N4O4S2 non-polymer 0.00 0.00 6WJ 6WK C7H15N1O4S3 L-peptide linking 0.75 0.40 6WK 6WL C15F3H11N2O2 non-polymer 0.00 0.00 6WL 6WM C25H30O2 non-polymer 0.00 0.00 6WM 6WN C25H26O2 non-polymer 0.00 0.00 6WN 6WO O1W1 non-polymer 0.00 0.00 6WO 6WP C28H22O6S1 non-polymer 0.00 0.00 6WP 6WQ Br1C22H17O2 non-polymer 0.00 0.00 6WQ 6WR C15Cl1H17O2 non-polymer 0.00 0.00 6WR 6WS C14Cl4H8 non-polymer 0.00 0.11 6WS 6WT C14Cl5H9 non-polymer 0.00 0.00 6WT 6WU C16F2H18O2 non-polymer 0.00 0.00 6WU 6WV C24H29N1O1 non-polymer 0.00 0.00 6WV 6WW C25H31N1O1 non-polymer 0.00 0.00 6WW 6WX C23F1H23N4O4 non-polymer 0.00 0.00 6WX 6WY C22F1H21N4O4 non-polymer 0.00 0.00 6WY 6WZ C23F4H22N4O3 non-polymer 0.00 0.00 6WZ 6X0 C29H33N3O4S1 non-polymer 0.40 0.16 6X0 6X1 C14Cl2H10N2O3 non-polymer 0.00 0.00 6X1 6X2 C24F1H27N4O3 non-polymer 0.00 0.00 6X2 6X3 C27H29N3O3S1 non-polymer 0.00 0.00 6X3 6X4 C20H37N6O8 non-polymer 0.64 0.50 6X4 6X5 C29H33N3O4S1 non-polymer 0.42 0.19 6X5 6X6 C9H10O4 non-polymer 0.00 0.00 6X6 6X7 C8H8O4 non-polymer 0.00 0.00 6X7 6X8 C6H5I1O1 non-polymer 0.00 0.00 6X8 6X9 C11H12N4O1 non-polymer 0.00 0.00 6X9 6XA C6H14N2O2 non-polymer 0.00 0.00 6XA 6XB C14H16N4O1 non-polymer 0.00 0.00 6XB 6XC C14H18N4O1 non-polymer 0.00 0.00 6XC 6XD C17H26N4O1 non-polymer 0.00 0.00 6XD 6XE C20F1H13N6 non-polymer 0.00 0.00 6XE 6XF C21H22N4O5 non-polymer 0.36 0.13 6XF 6XG C22H29N5O2 non-polymer 0.50 0.21 6XG 6XH C22F1H25N6O2 non-polymer 0.00 0.00 6XH 6XI C9H7N1O2S1 non-polymer 0.00 0.00 6XI 6XJ Br1C33Cl2H36N5O4 non-polymer 0.00 0.00 6XJ 6XK C22H24N8O1 non-polymer 0.00 0.00 6XK 6XL C28F1H26N7O3 non-polymer 0.38 0.05 6XL 6XM C31H34N4O3 non-polymer 0.00 0.00 6XM 6XN C25Cl1F3H22N4O2 non-polymer 0.00 0.00 6XN 6XO C24H38N3O7P1 non-polymer 0.40 0.66 6XO 6XP C18Cl1H18N3O3 non-polymer 0.00 0.00 6XP 6XQ C38H45N3O5 non-polymer 0.38 0.13 6XQ 6XR C13H10N2O3S2 non-polymer 0.00 0.00 6XR 6XS C24Cl2F1H28N5O5S2 non-polymer 0.00 0.00 6XS 6XT C18H20N6O1 non-polymer 0.00 0.00 6XT 6XU C22F3H21N4O4S1 non-polymer 0.97 0.12 6XU 6XV C19H21N7O1 non-polymer 0.00 0.00 6XV 6XW C25H32N6O4S1 non-polymer 0.00 0.00 6XW 6XX C28F2H35N5O3 non-polymer 1.00 0.24 6XX 6XY Br1C17H19N2S1 non-polymer 0.20 0.14 6XY 6XZ C21H22N2O5 non-polymer 0.00 0.00 6XZ 6Y0 C13H14O4 non-polymer 0.00 0.00 6Y0 6Y1 C17H21N1O1Se1 non-polymer 0.00 0.00 6Y1 6Y2 C22H31N3O13 non-polymer 1.00 0.76 6Y2 6Y3 C13H12N2O1Se1 non-polymer 0.00 0.00 6Y3 6Y4 C21F3H22N5O3S1 non-polymer 0.00 0.00 6Y4 6Y5 C5F1H7O3 non-polymer 0.69 0.78 6Y5 6Y6 C17H26N4O8 non-polymer 1.00 0.97 6Y6 6Y7 C23Cl1F2H18N3O2S1 non-polymer 0.00 0.00 6Y7 6Y8 C20F1H22N5O3S1 non-polymer 1.00 0.27 6Y8 6Y9 C7H13N1O2 D-peptide linking 0.00 0.00 6Y9 6YA C21Cl1F3H20N4O3S1 non-polymer 0.00 0.00 6YA 6YB C17H28N10O5 non-polymer 1.00 0.66 6YB 6YC C23H28N2O2 non-polymer 0.61 0.26 6YC 6YD C15H15N7O2 non-polymer 0.00 0.00 6YD 6YE C16H19N9O2 non-polymer 0.00 0.00 6YE 6YF C16Cl1F3H12N2O5S1 non-polymer 0.00 0.00 6YF 6YG C19H21N5O2S1 non-polymer 0.00 0.00 6YG 6YH C15H13N3O3S1 non-polymer 0.00 0.00 6YH 6YJ C12H18N2O2 peptide linking 0.60 0.44 6YJ 6YK C38H58N6O7S1 peptide-like 0.60 0.40 6YK 6YL C21F1H24N5O2 non-polymer 0.50 0.14 6YL 6YN C22F2H21N7 non-polymer 0.00 0.00 6YN 6YP C10H15N1O2S1 non-polymer 0.00 0.00 6YP 6YQ C15Cl1H12N3O3S1 non-polymer 0.00 0.00 6YQ 6YR C8H16O4Se1 L-saccharide 1.00 0.77 6YR 6YS C15F2H15N1O5S1 non-polymer 0.00 0.00 6YS 6YT C15H15N3O4S1 non-polymer 0.56 0.35 6YT 6YU C39H53N11O15P2 non-polymer 1.00 0.36 6YU 6YV B1C9H9O4 non-polymer 0.58 0.36 6YV 6YW H8O19P6 non-polymer 0.00 0.00 6YW 6YX H26O73P24 non-polymer 0.00 0.00 6YX 6YY H13O34P11 non-polymer 0.00 0.00 6YY 6YZ C11H20N5O18P5 non-polymer 1.00 0.26 6YZ 6Z0 C18F3H14N5O2 non-polymer 0.00 0.00 6Z0 6Z1 C17H13N3O5 non-polymer 0.00 0.00 6Z1 6Z2 C21F1H20N5O1 non-polymer 0.00 0.00 6Z2 6Z3 C27H33N5O4S1 non-polymer 0.38 0.05 6Z3 6Z4 C27Cl1F3H27N5O3 non-polymer 1.00 0.23 6Z4 6Z5 C23H20N4O2 non-polymer 0.00 0.00 6Z5 6Z6 C27H22N2O3 non-polymer 0.00 0.00 6Z6 6Z7 C23H24N3O3 non-polymer 0.00 0.00 6Z7 6Z8 Br1C19H23N6O2 non-polymer 0.00 0.00 6Z8 6Z9 C18F3H19N2O5S2 non-polymer 0.00 0.00 6Z9 6ZA C10H12N5O6P1S1 non-polymer 1.00 0.43 6ZA 6ZB C11H13N3O2 non-polymer 0.00 0.00 6ZB 6ZC C14H18N2O8 non-polymer 1.00 0.62 6ZC 6ZD C15Cl1H23N7O10P1S1 non-polymer 1.00 0.29 6ZD 6ZE C17H18O3 non-polymer 0.00 0.00 6ZE 6ZF C20H25N7 non-polymer 0.20 0.11 6ZF 6ZG C18H21N5 non-polymer 0.00 0.00 6ZG 6ZH C13H19N8O3 non-polymer 1.00 0.50 6ZH 6ZJ C12Fe1H10O14 non-polymer 0.00 0.00 6ZJ 6ZK Br1C25H19N6O1 non-polymer 0.00 0.00 6ZK 6ZL C43H80O22 non-polymer 1.00 0.82 6ZL 6ZM C18H20N4O1 non-polymer 0.00 0.00 6ZM 6ZN C26H25N5O3 non-polymer 0.00 0.00 6ZN 6ZO C22Cl2H21N3O5 non-polymer 0.00 0.00 6ZO 6ZP C23H15N3O1 non-polymer 0.00 0.00 6ZP 6ZQ C26Cl1F1H26N4O1 non-polymer 0.00 0.00 6ZQ 6ZR C20H23N1O6 non-polymer 0.00 0.00 6ZR 6ZS C5H11N1O2 L-peptide linking 0.93 0.75 6ZS 6ZT C32Cl2H34N4O3 non-polymer 0.50 0.12 6ZT 6ZU C18H16O5S1 non-polymer 0.00 0.00 6ZU 6ZV C27F2H32N8 non-polymer 0.36 0.11 6ZV 6ZW C14H17N1O2 non-polymer 0.00 0.00 6ZW 6ZX C10Cl1H9O2 non-polymer 0.50 0.54 6ZX 6ZY C22H25N1O4 non-polymer 0.00 0.00 6ZY 6ZZ C23H30N8O1 non-polymer 0.50 0.12 6ZZ 700 C22Cl1H20N3O4 non-polymer 0.00 0.00 700 701 C18Cl1H24N3O5S2 non-polymer 0.38 0.07 701 702 C23H25O7P1S1 non-polymer 0.00 0.00 702 703 C21H20N4O4S2 non-polymer 0.00 0.00 703 704 C16Cl1F1H16N6O1 non-polymer 0.45 0.28 704 705 C28F1H29N6O6 non-polymer 1.00 0.34 705 706 C22H23N5O1 non-polymer 0.00 0.00 706 707 Br1C11H12N1O4 non-polymer 0.61 0.47 707 708 C29Cl3H26N1O5S1 non-polymer 0.25 0.05 708 709 C19H17N3O2 non-polymer 0.00 0.00 709 70A C34H35N9O3 non-polymer 0.00 0.00 70A 70B C28H36N2O12S1 non-polymer 1.00 0.84 70B 70C C37F1H40N5O5 non-polymer 0.00 0.00 70C 70D C35F1H36N5O5 non-polymer 0.00 0.00 70D 70E C42H82O8 non-polymer 1.00 0.34 70E 70G C14H18O2 non-polymer 0.00 0.00 70G 70H C15H14O2 non-polymer 0.67 0.29 70H 70J C20H23N3O4S1 non-polymer 0.00 0.00 70J 70K C25H29N5O4 non-polymer 0.50 0.12 70K 70L C24H25N5O2 non-polymer 0.00 0.00 70L 70M C24H25N5O1 non-polymer 0.00 0.00 70M 70N C28F2H26N6O3S1 non-polymer 0.00 0.00 70N 70O C27H36N4O2 non-polymer 0.50 0.24 70O 70P C18H22N4O2 non-polymer 0.00 0.00 70P 70Q C24H22N4O4S1 non-polymer 0.00 0.00 70Q 70R C39Cl1F4H37N6O6S1 non-polymer 0.00 0.00 70R 70S C7H7N3 non-polymer 0.00 0.00 70S 70T C9H8N2O2 non-polymer 0.00 0.00 70T 70U C12H17N2O10P1S1 RNA linking 1.00 0.62 70U 70V C7H10O2 non-polymer 0.00 0.00 70V 70W C10H20N2O2 non-polymer 0.56 0.36 70W 70X C23H28N4O2 non-polymer 0.00 0.00 70X 70Y C25H30N4O2 non-polymer 0.00 0.00 70Y 70Z C25H31N5O4 non-polymer 0.50 0.24 70Z 710 C24H25N7O1 non-polymer 0.00 0.00 710 711 C27H31N6O1 non-polymer 0.00 0.00 711 712 C28F1H32N3O5S1 non-polymer 0.90 0.53 712 713 C20Cl1F1H19N3O1 non-polymer 0.00 0.00 713 714 C15H28N1O7P2 non-polymer 0.00 0.00 714 715 C16F6H15N5O1 non-polymer 0.00 0.00 715 716 C22Cl1H27N6O4S1 non-polymer 0.43 0.44 716 717 C6H6N2O1S1 non-polymer 0.00 0.00 717 718 C10H10O2 non-polymer 0.00 0.00 718 719 C27F1H27N6O7 non-polymer 1.00 0.34 719 71A C5H5N1O1 non-polymer 0.00 0.00 71A 71B C7F1H8N1O1 non-polymer 0.00 0.00 71B 71C C33H27N1O8 non-polymer 0.00 0.00 71C 71D C22Cl1H25N6O2 non-polymer 0.50 0.29 71D 71E C34F1H36N5O7 non-polymer 0.59 0.26 71E 71F C8H8O3 non-polymer 0.00 0.00 71F 71G C7H6N2 non-polymer 0.00 0.00 71G 71H C35F4H38N4O2S1 non-polymer 0.00 0.00 71H 71I C11H20N2O4S1 non-polymer 1.00 0.78 71I 71J C6H12O2 non-polymer 0.00 0.00 71J 71K C7H10N2 non-polymer 0.00 0.00 71K 71L C7H10N2 non-polymer 0.00 0.00 71L 71M C6H8N2 non-polymer 0.00 0.00 71M 71N C8F3H6N3 non-polymer 0.00 0.00 71N 71P C22H25N1O5S1 non-polymer 0.00 0.00 71P 71Q C18Cl1F3H17N3O3 non-polymer 0.00 0.00 71Q 71R C21H41N7O12 non-polymer 1.00 0.82 71R 71S C22H28N6 non-polymer 0.00 0.00 71S 71T C23H22N2O4S2 non-polymer 0.00 0.00 71T 71U C22Cl1H33N4O2 non-polymer 0.00 0.00 71U 71V C10H14N5O7P1S1 non-polymer 1.00 0.42 71V 71W C28H34O1 non-polymer 0.25 0.07 71W 71X C20Cl1H23N2O3 non-polymer 0.62 0.12 71X 71Y C20Cl1H23N2O3 non-polymer 0.62 0.12 71Y 720 C12H21N3O2 non-polymer 0.00 0.00 720 721 C11H20N1O7P2 non-polymer 0.00 0.00 721 722 C14H26N1O7P2 non-polymer 0.00 0.00 722 723 C17Cl1H12N1O3 non-polymer 0.00 0.00 723 724 C13H14N4O4 non-polymer 1.00 0.48 724 725 C19H26N6O5 non-polymer 1.00 0.33 725 726 C21H30N6O6 non-polymer 1.00 0.36 726 727 C18H16N4O4 non-polymer 0.00 0.00 727 728 Br1C20H23N4O2 non-polymer 0.00 0.00 728 729 C31H38N8O3 non-polymer 0.38 0.05 729 72B C27F1H29N5O3Ru1S4 non-polymer 0.00 0.00 72B 72C C20H26N6O5 non-polymer 1.00 0.32 72C 72D C12H11N1O2S1 non-polymer 0.00 0.00 72D 72E C13H13N1O2S1 non-polymer 0.00 0.00 72E 72F C31F3H27N6O3 non-polymer 0.50 0.30 72F 72G C13H11N1O3S1 non-polymer 0.00 0.00 72G 72H C15H12N2O2S1 non-polymer 0.00 0.00 72H 72J C26H44N5O14P3 non-polymer 1.00 0.27 72J 72K C30H29N5O2 non-polymer 0.00 0.00 72K 72L C23H18N6O2S1 non-polymer 0.00 0.00 72L 72M C27H28N6O6 non-polymer 1.00 0.36 72M 72N C12H13N3 non-polymer 0.00 0.00 72N 72O C14Cl1H12N3O1S1 non-polymer 0.00 0.00 72O 72P C22Cl1H16N1O2S1 non-polymer 0.00 0.00 72P 72Q C17F3H12N1O4S1 non-polymer 0.00 0.00 72Q 72R C8F1H4N1O2 non-polymer 0.00 0.00 72R 72S C9H7N1O2 non-polymer 0.00 0.00 72S 72T C9F3H4N1O2 non-polymer 0.00 0.00 72T 72U C10H7N1O4 non-polymer 0.97 0.27 72U 72W C27F1H26N5O6 non-polymer 1.00 0.36 72W 72X C28Cl1H46N3O3 non-polymer 0.56 0.14 72X 72Y C14Cl2H13N5 non-polymer 0.00 0.00 72Y 730 C28H35N7O3S1 non-polymer 0.00 0.00 730 731 C19H21N5O1S1 non-polymer 0.00 0.00 731 732 C20Cl1H23N2O3 non-polymer 0.41 0.42 732 733 C18Cl3F1H13N3O1 non-polymer 0.00 0.00 733 734 C19Cl1H14N3O2 non-polymer 0.00 0.00 734 735 C23F3H21N2O4S1 non-polymer 0.81 0.21 735 736 C24Cl1H29N4O2S1 non-polymer 0.00 0.00 736 737 C32H33N9O3S1 non-polymer 0.32 0.20 737 738 C16F1H13N2O1S1 non-polymer 0.00 0.00 738 739 C23H39N3O6S2 non-polymer 0.55 0.59 739 73A C22Cl1H23N6O2 non-polymer 0.50 0.35 73A 73B C25Cl1H23N2O3 non-polymer 0.00 0.00 73B 73C C7H15N1O3 L-peptide linking 0.83 0.91 73C 73D C10H9N1O2 non-polymer 0.00 0.00 73D 73E C14H17N3O5 non-polymer 1.00 0.64 73E 73F C16H13N1O2 non-polymer 0.00 0.00 73F 73G C14H15N1O4 non-polymer 0.55 0.42 73G 73H C16F1H12N1O2 non-polymer 0.00 0.00 73H 73J C28F1H18N5O1 non-polymer 0.00 0.00 73J 73K C17H15N5O3S1 non-polymer 0.00 0.00 73K 73L C23H28N6O4S2 non-polymer 0.00 0.00 73L 73M Cl1H5N2O1Pt1 non-polymer 0.00 0.00 73M 73N C7H14N4O4 L-peptide linking 0.43 0.67 73N 73O C10H13N1O3 L-peptide linking 0.00 0.00 73O 73P C7H14N2O4 L-peptide linking 0.00 0.00 73P 73Q C12Cl1H10N3O2 non-polymer 0.00 0.00 73Q 73R C26F3H36N5O1 non-polymer 0.36 0.11 73R 73S C24Cl1H16N7O1 non-polymer 0.00 0.00 73S 73T C32F2H30N4O4 non-polymer 0.58 0.17 73T 73U C16H17N3O3S1 non-polymer 0.00 0.00 73U 73V C25H35N3O6 non-polymer 0.37 0.29 73V 73W C9H14N3O6P1S2 RNA linking 1.00 0.48 73W 73X C14Cl2H16N6 non-polymer 1.00 0.41 73X 73Y Br1C29H18N5O1 non-polymer 0.00 0.00 73Y 73Z C24H29N3O3 non-polymer 0.00 0.00 73Z 740 C23H27N5O3S1 non-polymer 0.00 0.00 740 741 C27Cl1H29N6O3S1 non-polymer 0.59 0.21 741 742 C16H38O6P3 non-polymer 0.00 0.00 742 743 C26F1H27N2O3 non-polymer 0.30 0.41 743 744 C18Cl1H23N2O2 non-polymer 0.00 0.00 744 745 C20H18N2 non-polymer 0.00 0.00 745 746 C34H37N5O4 non-polymer 0.38 0.05 746 747 C12F2H9N3O3 non-polymer 0.00 0.00 747 748 C34H34N8O2 non-polymer 0.45 0.16 748 749 C21H38O6P2 non-polymer 0.38 0.55 749 74A C35F2H42N4O4 non-polymer 0.00 0.00 74A 74B C17F6H19N3O1S1 non-polymer 0.00 0.00 74B 74C C1H3 non-polymer 0.00 0.00 74C 74D C28F2H36N4O3 non-polymer 0.38 0.05 74D 74E C24H31N3O3 non-polymer 0.00 0.00 74E 74F C19H22N10O1 non-polymer 0.00 0.00 74F 74G C38H51N6O6S2 non-polymer 0.88 0.25 74G 74H C20H19N9O1 non-polymer 0.00 0.00 74H 74J C20H19N9O1 non-polymer 0.00 0.00 74J 74K C20H19N9O1 non-polymer 0.00 0.00 74K 74L C21H23N9O2S1 non-polymer 0.00 0.00 74L 74M C19H31N3O6 non-polymer 0.56 0.25 74M 74N C23H21N7O1 non-polymer 0.00 0.00 74N 74O C19H18N8 non-polymer 0.00 0.00 74O 74P C11H18N2O5 L-peptide linking 0.93 0.50 74P 74Q C22H19N9 non-polymer 0.00 0.00 74Q 74S C31H34N5 non-polymer 0.00 0.00 74S 74T C38H53N5O7S2 non-polymer 0.00 0.00 74T 74U C19H15N3O1 non-polymer 0.00 0.00 74U 74V C18H25N5O2 non-polymer 0.50 0.20 74V 74W C18Cl1F3H18N4O4S1 non-polymer 1.00 0.29 74W 74X C18Cl1F3H18N4O4S1 non-polymer 1.00 0.29 74X 74Y C18H23N3O2 non-polymer 0.00 0.00 74Y 74Z C15H15N3O1S1 non-polymer 0.00 0.00 74Z 750 C40H47N5O7 non-polymer 0.00 0.00 750 751 C28H28N4O4S1 non-polymer 0.00 0.00 751 752 C18H13N5O3S2 non-polymer 0.00 0.00 752 753 C17H17N3O2S1 non-polymer 0.00 0.00 753 754 C26H36O3 non-polymer 0.95 0.41 754 755 C18Cl1H25N2O3 non-polymer 0.38 0.08 755 756 C22H21N3O2 non-polymer 0.00 0.00 756 757 C42F2H45N5O12S1 non-polymer 0.59 0.27 757 758 C16Cl1H19N4O2 non-polymer 0.38 0.09 758 759 C49Cl1H62N9O8S2 non-polymer 0.88 0.26 759 75A C24F2H28I1N4O7P1 peptide-like 0.00 0.00 75A 75B C13H15N2O9P1Se1 RNA linking 1.00 0.38 75B 75C C25H44N9O13P1S2 non-polymer 1.00 0.40 75C 75D C15H24O3S1 non-polymer 0.00 0.00 75D 75E C19H14N6O1S1 non-polymer 0.00 0.00 75E 75F C20H23N3O1 non-polymer 0.00 0.00 75F 75G C10Cl1H11N5O5P1S1 non-polymer 1.00 0.43 75G 75H C31F1H29N4O5 non-polymer 0.50 0.15 75H 75J C24H24N8O1 non-polymer 0.38 0.06 75J 75K C8H7N1O3 non-polymer 1.00 0.83 75K 75L C27H31N9O1 non-polymer 0.38 0.05 75L 75M C24H24N8O1 non-polymer 0.38 0.06 75M 75N C26H27N9O1 non-polymer 0.38 0.06 75N 75O C17Cl1H16N3O3 non-polymer 0.20 0.12 75O 75P C24H38N6O2 non-polymer 0.00 0.00 75P 75Q C23Cl2H24N4O1 non-polymer 0.00 0.00 75Q 75R C23Cl2H24N4O1 non-polymer 0.00 0.00 75R 75S C22Cl2H22N4O1 non-polymer 0.00 0.00 75S 75T C24H26N2O1 non-polymer 0.00 0.00 75T 75U Br1C22H25N2O3S1 non-polymer 0.75 0.17 75U 75V C15H24N2O7 non-polymer 0.65 1.00 75V 75W C6H7N3O2S1 non-polymer 0.00 0.00 75W 75X C19H23N5O2 non-polymer 0.00 0.00 75X 75Y C12H11N3O5S1 non-polymer 0.00 0.00 75Y 75Z C24F1H19N6O3 non-polymer 0.00 0.00 75Z 760 C20H20N2 non-polymer 0.00 0.00 760 761 C13H9N1O5 non-polymer 0.00 0.00 761 762 C20Cl1H15N4O1 non-polymer 0.00 0.00 762 763 C24F1H22N3O4 non-polymer 0.56 0.22 763 765 C16H24N7O5 non-polymer 1.00 0.36 765 766 C24F1H21N2O3S1 non-polymer 0.00 0.00 766 767 C17H27N5O2 non-polymer 0.20 0.12 767 768 C23Cl2H28N4O2 non-polymer 0.00 0.00 768 769 C25F1H22N3O3 non-polymer 0.36 0.19 769 76A C29H27N3O3 non-polymer 0.00 0.00 76A 76B C23F1H20N5O3 non-polymer 0.00 0.00 76B 76C C21Cl1F1H17N9O1 non-polymer 1.00 0.33 76C 76D C16H24O2 non-polymer 0.00 0.00 76D 76E C23Cl1F4H17N2O4S1 non-polymer 0.00 0.00 76E 76G C24F1H21N2O3S1 non-polymer 0.00 0.00 76G 76H C18H31N7O5 non-polymer 1.00 0.33 76H 76J C20H35N7O5 non-polymer 1.00 0.31 76J 76K C18H31N7O6 non-polymer 1.00 0.32 76K 76L C18H31N7O6 non-polymer 1.00 0.32 76L 76M C19H33N7O5 non-polymer 1.00 0.32 76M 76O C22H31N7O5 non-polymer 1.00 0.29 76O 76P C16H20N4O3 non-polymer 0.20 0.13 76P 76Q C27H29N3O1 non-polymer 0.00 0.00 76Q 76R C36H36Mn1N4O8 non-polymer 0.00 0.00 76R 76S C22F1H18N5O3 non-polymer 0.00 0.00 76S 76T C28F1H23N4O3 non-polymer 0.00 0.00 76T 76U C13F1H20N2O7P1 non-polymer 0.00 0.00 76U 76V C18H30N2O7 non-polymer 0.65 1.00 76V 76X C5H7N3 non-polymer 0.00 0.00 76X 76Y C12Cl1H11N2O1 non-polymer 0.00 0.00 76Y 76Z C17H17N3O3 non-polymer 0.56 0.22 76Z 770 C21Cl1H12N3O3 non-polymer 0.00 0.00 770 771 C23H26N4O4S1 non-polymer 0.00 0.00 771 772 C10H7N2O4P1 non-polymer 0.00 0.00 772 773 C42H59N3O10 non-polymer 1.00 0.25 773 774 C12H10N2O2S1 non-polymer 0.00 0.00 774 775 C17Cl1H16N5O1 non-polymer 0.00 0.00 775 777 C12H19N6O7P1 non-polymer 1.00 0.38 777 778 C22Cl1H20N5O1 non-polymer 0.00 0.00 778 779 C26H39N5O2 non-polymer 0.00 0.00 779 77A C17Cl1H22N5O3 non-polymer 0.50 0.23 77A 77B C29H35N3O6 non-polymer 0.37 0.26 77B 77C C22Cl1F1H17N9O1 non-polymer 1.00 0.32 77C 77D C22F1H26I1N4O2S1 non-polymer 0.00 0.00 77D 77E C13H21N2O7P1 non-polymer 0.00 0.00 77E 77F C31H38N2O6S1 non-polymer 0.00 0.00 77F 77G C23F1H23N6O3 non-polymer 0.00 0.00 77G 77H C23F1H23N6O3 non-polymer 0.00 0.00 77H 77J C13H13N3O3S1 non-polymer 0.00 0.00 77J 77K C18F1H16N3O3 non-polymer 0.00 0.00 77K 77L C15F1H14N1O4 non-polymer 0.64 0.29 77L 77M C23F1H20N1O6S1 non-polymer 0.00 0.00 77M 77N C22F1H21N6O4 non-polymer 0.57 0.27 77N 77O C9Cl1H8N3O1 non-polymer 0.00 0.00 77O 77P C20F1H17N4O5 non-polymer 0.40 0.27 77P 77Q C25F1H24N3O3 non-polymer 0.00 0.00 77Q 77R C21F1H22N3O3 non-polymer 0.00 0.00 77R 77S C24F1H21N4O3 non-polymer 0.00 0.00 77S 77T C14F1H17N2O1 non-polymer 0.00 0.00 77T 77U C13Cl1H15N2O1 non-polymer 0.00 0.00 77U 77V C17H16N6O1 non-polymer 1.00 0.46 77V 77W C25F1H22N1O3 non-polymer 0.44 0.20 77W 77X C15H17N3O1 non-polymer 0.00 0.00 77X 77Y C22H25N4O9P1 DNA linking 1.00 0.25 77Y 77Z C23H26N4O6S1 non-polymer 0.00 0.00 77Z 780 C20H16N4O1 non-polymer 0.00 0.00 780 781 C13H13N1O2 non-polymer 0.00 0.00 781 782 C28H29N1O3 non-polymer 0.44 0.19 782 783 C22H19N3O2 non-polymer 0.00 0.00 783 784 C22H32N5O2 non-polymer 0.20 0.10 784 785 C15F3H11N4O2 non-polymer 0.00 0.00 785 786 C24H30N6O6S2 non-polymer 0.76 0.39 786 787 C7H10O6P2 non-polymer 0.00 0.00 787 788 C24H19N5O1 non-polymer 0.00 0.00 788 789 Br1C15H9O3 non-polymer 0.00 0.00 789 78A C22H29N3O6 non-polymer 0.00 0.00 78A 78B C10H13N1O2 non-polymer 0.75 0.38 78B 78C C15H17N1O3 non-polymer 0.00 0.00 78C 78D C16H26N2O4 non-polymer 0.58 0.64 78D 78E C30H42N4O6 peptide-like 0.00 0.00 78E 78F C20H34N2O6 non-polymer 0.65 0.89 78F 78G C22H33N10O7 non-polymer 1.00 0.26 78G 78H C14H14N6O3 non-polymer 0.00 0.00 78H 78J C21H30N4O2 non-polymer 0.00 0.00 78J 78K C21H30N10O7 non-polymer 1.00 0.26 78K 78L C33F2H30N4O4S1 non-polymer 0.00 0.00 78L 78M C18H34O4 non-polymer 0.98 0.73 78M 78N C18H34O4 non-polymer 0.98 0.73 78N 78O C22H32N2O5 non-polymer 0.70 0.79 78O 78P C13H16N4O1 non-polymer 0.00 0.00 78P 78Q C21H30N2O5 non-polymer 0.70 0.79 78Q 78R C35H46N4O7 peptide-like 0.00 0.00 78R 78S C20H35O7P1 non-polymer 0.97 0.96 78S 78T H2O3P1 non-polymer 0.00 0.00 78T 78U C12H14N2O2 non-polymer 0.37 0.62 78U 78V C18H25N9O5 non-polymer 1.00 0.31 78V 78W C17Cl2F1H13N2O2S1 non-polymer 0.20 0.16 78W 78X C36H48N4O7 peptide-like 0.00 0.00 78X 78Y C10H10N4O1 non-polymer 0.00 0.00 78Y 78Z C14F5H11N6 non-polymer 0.38 0.08 78Z 790 C9H12N1O4P1 non-polymer 0.00 0.00 790 791 C9H8O4 non-polymer 0.54 0.77 791 792 C22H22N2O5S1 non-polymer 0.50 0.17 792 793 C17H15N3O2 non-polymer 0.00 0.00 793 794 C19H13N1O5 non-polymer 0.00 0.00 794 795 C9H6N2O1S1 non-polymer 0.00 0.00 795 796 C19Cl2H19N5O1S1 non-polymer 0.00 0.00 796 797 C17H11N1O3 non-polymer 0.00 0.00 797 798 C22H21N1O2S1 non-polymer 0.00 0.00 798 799 C24H28N8O2 non-polymer 0.40 0.32 799 79A C17F3H12N1O4S1 non-polymer 0.00 0.00 79A 79B C33H34N4O2 non-polymer 0.00 0.05 79B 79C C27F2H35N7O3 non-polymer 0.00 0.00 79C 79D C30H37N9O2 non-polymer 0.00 0.00 79D 79E C21H35N4O6P1 non-polymer 0.00 0.00 79E 79F C18H28N3O8P1 non-polymer 0.53 0.77 79F 79G C31H39N3O6S1 non-polymer 0.00 0.00 79G 79H C17H21N7O1 non-polymer 0.20 0.12 79H 79J C13H21N1O10 non-polymer 1.00 0.88 79J 79K C22Cl1H21N2O4S1 non-polymer 0.38 0.07 79K 79L C31H44N4O7 non-polymer 0.70 0.17 79L 79M C19H36O4 non-polymer 0.98 0.70 79M 79N C19H36O4 non-polymer 0.98 0.70 79N 79O Br1C16Cl1H8N2O2 non-polymer 0.00 0.00 79O 79P C32H43N5O6 non-polymer 0.70 0.16 79P 79Q C35F1H33N4O4 non-polymer 0.00 0.00 79Q 79R C25H26N6O2 non-polymer 0.50 0.18 79R 79S C25H28N6O2 non-polymer 0.31 0.24 79S 79T C24H24N6O2 non-polymer 0.50 0.19 79T 79U C24Cl1F3H17N3O4 non-polymer 0.50 0.11 79U 79V C17F1H15N2O1 non-polymer 0.00 0.00 79V 79W C11H10O4S1 non-polymer 0.00 0.00 79W 79X C17H13N1O4 non-polymer 0.00 0.00 79X 79Y C18H19N5O4S2 non-polymer 0.00 0.00 79Y 79Z C22F1H23N2O5S1 non-polymer 0.50 0.32 79Z 7A0 C33F1H45N8O9P1 non-polymer 1.00 0.19 7A0 7A1 C28F1H35N8O2 non-polymer 0.00 0.00 7A1 7A2 C6H8O8 non-polymer 0.96 1.00 7A2 7A3 C6H8O8 non-polymer 0.96 1.00 7A3 7A4 C22F1H21O2 non-polymer 0.00 0.00 7A4 7A5 C18F3H25N4O3 non-polymer 0.00 0.00 7A5 7A6 C14H21N5O2S1 non-polymer 0.00 0.00 7A6 7A7 C18F1H14N5O2S1 non-polymer 0.50 0.15 7A7 7A8 C9H17N1 non-polymer 0.20 0.30 7A8 7A9 C19H24N2O1 non-polymer 0.00 0.00 7A9 7AA C17Cl2H11N5O1S1 non-polymer 0.50 0.15 7AA 7AB C21H28O1 non-polymer 0.50 0.23 7AB 7AC C16Cl1H13N4 non-polymer 0.00 0.00 7AC 7AD C19H22N4O1 non-polymer 0.46 0.33 7AD 7AE C22H26N6O5S2 non-polymer 0.00 0.00 7AE 7AF C21H36N3O5P1 non-polymer 0.00 0.00 7AF 7AG C24H28N6O3 non-polymer 0.00 0.00 7AG 7AH C21F1H22N3O1 non-polymer 0.00 0.00 7AH 7AJ C24Cl1H28N5O2 non-polymer 0.00 0.00 7AJ 7AK C33H55N1O8 non-polymer 0.46 0.48 7AK 7AL C20Cl1H30N1O4 non-polymer 1.00 0.38 7AL 7AM C22H21N4O4P1S1 non-polymer 0.00 0.00 7AM 7AN C12H14N2O1 non-polymer 0.00 0.00 7AN 7AO C43H65N5O9 non-polymer 0.46 0.35 7AO 7AP C9H12N6O2 non-polymer 0.62 0.47 7AP 7AR C17Cl2H11N1O4 non-polymer 0.00 0.00 7AR 7AS C25F4H29N3O3S1 non-polymer 0.38 0.06 7AS 7AT C12H15N8O7P1 RNA linking 1.00 0.36 7AT 7AU C25Cl1H25N4O1 non-polymer 0.00 0.00 7AU 7AV C26Cl1H22N3O2S1 non-polymer 0.00 0.00 7AV 7AW C33H48N6O4S2 non-polymer 0.00 0.00 7AW 7AX C23H17N3O4 non-polymer 0.00 0.00 7AX 7AY C24Cl1H18N3O4 non-polymer 0.00 0.00 7AY 7AZ C42H42O24P6 non-polymer 0.00 0.00 7AZ 7B0 C6H15N3O4S1 non-polymer 0.00 0.00 7B0 7B1 C14H11N3O4S1 non-polymer 0.00 0.00 7B1 7B2 C27Cl1H29N9O1 non-polymer 0.00 0.00 7B2 7B3 C10H13N3O1 non-polymer 0.00 0.00 7B3 7B4 C9Cl1H10N3 non-polymer 0.00 0.00 7B4 7B5 C21H37O7P1 non-polymer 0.99 0.97 7B5 7B6 C23H40N4O4 non-polymer 0.00 0.00 7B6 7B7 C21H26N4O3 non-polymer 0.00 0.00 7B7 7B8 C24H27N7O7S1 non-polymer 0.00 0.00 7B8 7B9 C16H22N3O7P1 non-polymer 0.00 0.00 7B9 7BA C18H20O5 non-polymer 0.20 0.22 7BA 7BB C15H24N2O6S1 peptide-like 0.00 0.00 7BB 7BC C6H8O4 non-polymer 0.98 1.00 7BC 7BD C16H13N1O3 non-polymer 0.98 0.30 7BD 7BE C26H30O4 non-polymer 0.00 0.00 7BE 7BF C19H18N6O1 non-polymer 0.00 0.00 7BF 7BG C17F1H20N5O7P1 DNA linking 1.00 0.29 7BG 7BH C17H19N5O1 non-polymer 0.00 0.00 7BH 7BJ C16F1H19N2O3 non-polymer 0.00 0.00 7BJ 7BK C20F1H19N2O2 non-polymer 0.00 0.00 7BK 7BL C27H40O4 non-polymer 0.50 0.32 7BL 7BN C24H39N5O14 non-polymer 1.00 0.79 7BN 7BO C24H39N5O14 non-polymer 1.00 0.79 7BO 7BP C17F1H21N2O2 non-polymer 0.38 0.09 7BP 7BQ C32H46N6O15 non-polymer 1.00 0.64 7BQ 7BR C19F1H23N2O4S1 non-polymer 0.00 0.00 7BR 7BS C34H52O9 non-polymer 1.00 0.53 7BS 7BT C20H29N1O9 non-polymer 1.00 0.43 7BT 7BU C24F12H8N4Zn1 non-polymer 0.00 0.00 7BU 7BV C17H19N3O2S2 non-polymer 0.00 0.00 7BV 7BW C15F1H17N2O2 non-polymer 0.00 0.00 7BW 7BX C10H10N2O2S1 non-polymer 0.00 0.00 7BX 7BY C20H29N5O3 non-polymer 0.00 0.00 7BY 7BZ B1C2H8N1 non-polymer 0.00 0.00 7BZ 7C0 C13Cl1H18N1O3 non-polymer 0.00 0.00 7C0 7C1 C16H13N3O2 non-polymer 0.00 0.00 7C1 7C2 C12H25N1O3 non-polymer 0.00 0.00 7C2 7C3 C6H11N1O3 non-polymer 0.69 0.70 7C3 7C4 C57H89N7O15 non-polymer 0.64 0.08 7C4 7C5 C17H16N10O6 non-polymer 1.00 0.36 7C5 7C6 C19H19N3O5S1 non-polymer 0.00 0.00 7C6 7C7 C32H40N4O5 peptide-like 0.44 0.15 7C7 7C8 C36Cl2H54N2O4 non-polymer 0.00 0.00 7C8 7C9 C4H9N1O3 L-peptide linking 0.83 0.88 7C9 7CA C27H32O10 non-polymer 1.00 0.30 7CA 7CB C9H8N2O2S1 non-polymer 0.00 0.00 7CB 7CC C8H16N2O3 L-peptide linking 0.54 1.00 7CC 7CD C11H11N1 non-polymer 0.00 0.00 7CD 7CE C17H14N4O2 non-polymer 0.00 0.00 7CE 7CF C36Cl2H52N2O5 non-polymer 0.00 0.00 7CF 7CG Br2C16H14N2O3S1 non-polymer 0.00 0.00 7CG 7CH C11H13N4O6P1 non-polymer 1.00 0.45 7CH 7CI C12H12N4O5 non-polymer 1.00 0.48 7CI 7CJ C16F1H15N2O3S1 non-polymer 0.00 0.00 7CJ 7CK C21H13N3O3 non-polymer 0.00 0.00 7CK 7CL C5Cl1H11 non-polymer 0.00 0.00 7CL 7CM C16Cl1F1H14N2O3S1 non-polymer 0.00 0.00 7CM 7CN Br1C16H13N2O3S1 non-polymer 0.00 0.00 7CN 7CO C16F2H14N2O3S1 non-polymer 0.00 0.00 7CO 7CP C18Cl2H18N4O1 non-polymer 0.00 0.00 7CP 7CQ Br1C17H19N2O4S1 non-polymer 0.00 0.00 7CQ 7CR C22Cl2H23N3O5 non-polymer 0.00 0.00 7CR 7CS C16H19N3O2 non-polymer 0.00 0.00 7CS 7CT C10H10N2O2S1 non-polymer 0.00 0.00 7CT 7CU C16H18N6O1 non-polymer 0.00 0.00 7CU 7CV C8H16O5 non-polymer 1.00 0.85 7CV 7CW C34Cl2H50N2O5 non-polymer 0.00 0.00 7CW 7CY C11H15N5O3 non-polymer 1.00 0.53 7CY 7CZ C7H6O1S1 non-polymer 0.00 0.00 7CZ 7D0 C14F2H16O5 non-polymer 1.00 0.62 7D0 7D1 C6H12O4 non-polymer 1.00 1.00 7D1 7D2 C8H14O5 non-polymer 1.00 1.00 7D2 7D3 C10H15N5O9P2 non-polymer 1.00 0.35 7D3 7D4 C10H16N5O12P3 non-polymer 1.00 0.30 7D4 7D5 C10H14N5O6P1 non-polymer 1.00 0.41 7D5 7D6 C18H17N3O2 non-polymer 0.50 0.17 7D6 7D7 C10H13N5O3 non-polymer 1.00 0.50 7D7 7D8 C8F1H13O3 non-polymer 1.00 0.92 7D8 7D9 C22H31N4O12P1S1 non-polymer 1.00 0.25 7D9 7DA C11H15N4O6P1 DNA linking 1.00 0.41 7DA 7DB C32H46N6O15 non-polymer 1.00 0.64 7DB 7DC C34H49N11O7 non-polymer 0.50 0.62 7DC 7DD C11H16N4O10P2 non-polymer 1.00 0.37 7DD 7DE C14H15N3O4 non-polymer 0.75 0.24 7DE 7DF C15H20O5 non-polymer 0.00 0.00 7DF 7DG C6H6N4O1 non-polymer 0.00 0.00 7DG 7DH C5H6O4 non-polymer 0.75 1.00 7DH 7DJ C18F4H18N6O3 non-polymer 0.68 0.29 7DJ 7DK C28Cl1H28N9O4 non-polymer 0.29 0.12 7DK 7DL C29Cl2H30N8O3 non-polymer 0.29 0.12 7DL 7DM C10H7N1O4 non-polymer 0.00 0.00 7DM 7DN C30H35N3O3 non-polymer 0.00 0.00 7DN 7DP C10H13N1O3 non-polymer 0.00 0.00 7DP 7DQ C20H23N5O1 non-polymer 0.00 0.00 7DQ 7DR C22H22N4O1 non-polymer 0.00 0.07 7DR 7DS C28Cl1H26N9O4 non-polymer 0.29 0.12 7DS 7DT C11H17N4O13P3 non-polymer 1.00 0.32 7DT 7DU C29H42N10O6 non-polymer 0.47 0.51 7DU 7DV C7H8O2 non-polymer 0.00 0.00 7DV 7DW C41F1H72N1O9 non-polymer 1.00 0.40 7DW 7DX C28H27N3O3S1 non-polymer 0.00 0.00 7DX 7DY C27Cl1F3H25N3O2 non-polymer 0.56 0.19 7DY 7DZ C19F2H23N5O2 non-polymer 0.00 0.00 7DZ 7E0 C15H22O2 non-polymer 0.00 0.00 7E0 7E1 C30Cl1H27O7S1 non-polymer 0.38 0.10 7E1 7E3 C29Cl1H27O8S1 non-polymer 0.00 0.00 7E3 7E4 C33H34N4O2 non-polymer 0.00 0.05 7E4 7E5 C12H13N1O5 non-polymer 0.00 0.00 7E5 7E7 C16H14N6O1 non-polymer 0.00 0.00 7E7 7E8 C17H32O4 non-polymer 0.98 0.76 7E8 7E9 C17H32O4 non-polymer 0.98 0.76 7E9 7EA C14H14N4O2 non-polymer 0.00 0.00 7EA 7EB Br1C28H28N1O6S1 non-polymer 0.50 0.14 7EB 7EC Br1C31H32N1O6S1 non-polymer 0.00 0.00 7EC 7ED C42H50O8 non-polymer 0.43 0.36 7ED 7EE C26H29N1O2 non-polymer 0.00 0.07 7EE 7EF C19F3H17N2O2 non-polymer 0.38 0.08 7EF 7EG C19H15N1O4 non-polymer 0.00 0.00 7EG 7EH C13H12N4 non-polymer 0.00 0.00 7EH 7EJ C30H44N4O4 non-polymer 0.56 0.13 7EJ 7EK C28H42N6O4 non-polymer 0.56 0.13 7EK 7EL C13Cl1H10N1O3 non-polymer 0.00 0.00 7EL 7EM C22H16O3S1 non-polymer 0.00 0.00 7EM 7EN C16Cl2H10O3S1 non-polymer 0.00 0.00 7EN 7EO C16Cl2H10O3S1 non-polymer 0.00 0.00 7EO 7EP C17H22N2O6S1 non-polymer 0.35 0.31 7EP 7EQ C16F2H10O3S1 non-polymer 0.00 0.00 7EQ 7ER C16F2H10O4S1 non-polymer 0.00 0.00 7ER 7ES C16F2H10O2S1 non-polymer 0.00 0.00 7ES 7ET C31F1H32N1O6S1 non-polymer 0.00 0.00 7ET 7EV Br1C29H27O8S1 non-polymer 0.00 0.00 7EV 7EX C6H10O1 non-polymer 0.00 0.00 7EX 7EY C16H14N2O2S2 non-polymer 0.00 0.00 7EY 7EZ C22H34O4 non-polymer 0.58 0.88 7EZ 7F1 C36H46N6O6S1 non-polymer 0.50 0.06 7F1 7F2 C8H18O2 non-polymer 0.00 0.00 7F2 7F3 C24F5H14N5 non-polymer 0.00 0.00 7F3 7F4 C6H12N2O1 non-polymer 0.00 0.00 7F4 7F5 C19F1H22N5 non-polymer 0.00 0.00 7F5 7F6 C14H14O2 non-polymer 0.38 0.62 7F6 7F7 C14H20N3O6P1 non-polymer 0.00 0.00 7F7 7F9 C18H20N2O5 non-polymer 0.46 0.36 7F9 7FA C19F1H34O2P1 non-polymer 0.38 0.52 7FA 7FB C6H14O2 non-polymer 0.00 0.00 7FB 7FC C16Cl2H8O5 non-polymer 0.00 0.00 7FC 7FD C24H26O3 non-polymer 0.75 0.19 7FD 7FE C30Cl1H29N4O3 non-polymer 0.00 0.00 7FE 7FF C11H14N2O2 non-polymer 0.00 0.00 7FF 7FG C27H30O3 non-polymer 0.75 0.17 7FG 7FH C6F3H4N1O1S1 non-polymer 0.00 0.00 7FH 7FJ C22H18O2 non-polymer 0.00 0.00 7FJ 7FK C20Cl1H26N1O4 non-polymer 0.00 0.00 7FK 7FL C20H22O2 non-polymer 0.00 0.00 7FL 7FM C25F3H26N7O3S1 non-polymer 0.00 0.00 7FM 7FN C6H4O5 non-polymer 0.00 0.00 7FN 7FO C24H19I1O6S1 non-polymer 0.00 0.00 7FO 7FP C26H23N1O7S1 non-polymer 0.00 0.00 7FP 7FQ C26H32O3 non-polymer 0.00 0.00 7FQ 7FR C27H33N1O1 non-polymer 0.00 0.00 7FR 7FS C27H35N1O1 non-polymer 0.00 0.00 7FS 7FT C22Cl1H22N5O1 non-polymer 0.00 0.00 7FT 7FU C8H9N5O1S1 non-polymer 0.00 0.00 7FU 7FV C27H24N2O3 non-polymer 0.00 0.00 7FV 7FW C31H26N4O4 non-polymer 0.50 0.10 7FW 7FX C14F3H12N3O3 non-polymer 0.00 0.00 7FX 7FY C18H15N1O4S1 non-polymer 0.00 0.00 7FY 7FZ C17H18O2 non-polymer 0.00 0.00 7FZ 7G0 C16H22O2 non-polymer 0.00 0.00 7G0 7G1 C18H24O2 non-polymer 0.00 0.00 7G1 7G2 C13F1H10N1O3 non-polymer 0.00 0.00 7G2 7G3 C13H11N1O3 non-polymer 0.00 0.00 7G3 7G4 C10H10Ru1 non-polymer 0.00 0.00 7G4 7G5 C16H14O4S1 non-polymer 0.00 0.00 7G5 7G6 C35F1H35N6O3 non-polymer 0.00 0.00 7G6 7G7 C34F1H37N8O3 non-polymer 0.38 0.04 7G7 7G8 C26F1H24N7O3 non-polymer 1.00 0.32 7G8 7G9 C22F1H24N5O3 non-polymer 1.00 0.42 7G9 7GA C7H14O2 non-polymer 0.60 0.78 7GA 7GB C25H24N6O3 non-polymer 0.50 0.06 7GB 7GC C11H11N3O3S2 non-polymer 0.00 0.00 7GC 7GE C7Cl5H6N2Ru1 non-polymer 0.00 0.00 7GE 7GF Br1C13H13N2O3S1 non-polymer 0.97 0.20 7GF 7GG C17H20N6 non-polymer 0.43 0.26 7GG 7GJ C21H26N6O2 non-polymer 0.50 0.14 7GJ 7GK C18H17N5 non-polymer 0.00 0.00 7GK 7GL C16H18N6O1 non-polymer 0.00 0.00 7GL 7GM C16H23N1O1S1 non-polymer 0.00 0.00 7GM 7GP C10H17N1O8 non-polymer 1.00 0.89 7GP 7GQ C22Cl2H20N8O2 non-polymer 0.00 0.00 7GQ 7GR C17H26N3O7P1 non-polymer 0.43 0.75 7GR 7GS C31F1H31N8O2 non-polymer 0.00 0.00 7GS 7GT C24H30N6O3S1 non-polymer 0.00 0.00 7GT 7GU C11H15N4O7P1 DNA linking 1.00 0.39 7GU 7GV C18H26N6O1 non-polymer 0.00 0.00 7GV 7GW C6H12O6 non-polymer 1.00 1.00 7GW 7GX C22H20N4O2 non-polymer 0.00 0.00 7GX 7GY C16H15N3O2 non-polymer 0.00 0.00 7GY 7GZ C22H18N4O1 non-polymer 0.00 0.00 7GZ 7H0 C15Cl1F3H13N5O2S1 non-polymer 0.50 0.19 7H0 7H1 C14F12H8N2O3 non-polymer 0.20 0.13 7H1 7H2 C18Cl1F3H13N5O1 non-polymer 0.00 0.00 7H2 7H3 Br1C18F1H16N4O2S1 non-polymer 0.00 0.00 7H3 7H4 C15H21N5O1 non-polymer 0.00 0.00 7H4 7H5 C28Cl1F3H29N5O5S1 non-polymer 1.00 0.21 7H5 7H6 C15H24O3 non-polymer 0.00 0.00 7H6 7H7 C21H24N6 non-polymer 0.31 0.33 7H7 7H8 C28H38N5O2 non-polymer 0.00 0.00 7H8 7H9 C29F1H41N5O2 non-polymer 0.00 0.00 7H9 7HA C22Cl1H21N2O6 L-peptide linking 0.87 0.29 7HA 7HC C29Cl2F1H34N3O3 non-polymer 0.38 0.05 7HC 7HD C19Cl1H17N8O1 non-polymer 0.00 0.00 7HD 7HE C32Fe1H30N4O2 non-polymer 0.38 0.10 7HE 7HF C26F2H31N5O3 non-polymer 0.50 0.14 7HF 7HG C34H50N4O8 peptide-like 0.00 0.00 7HG 7HH C23Cl1H19N2O5 non-polymer 0.81 0.23 7HH 7HI C31H38N2O5 non-polymer 0.00 0.00 7HI 7HJ C37F1H39N4O4 non-polymer 0.29 0.11 7HJ 7HK C21H18N4O3 non-polymer 0.56 0.21 7HK 7HL C21Cl1H16N1O4 non-polymer 0.00 0.00 7HL 7HM C22Cl1H16N1O4 non-polymer 0.00 0.00 7HM 7HN C14F5H7O4 non-polymer 0.00 0.00 7HN 7HO C23Cl1H18N1O7 non-polymer 0.00 0.00 7HO 7HP C5H4N4O1 non-polymer 0.00 0.00 7HP 7HQ C8H8N2O1 non-polymer 0.00 0.00 7HQ 7HR C29F1H37N6O2S2 non-polymer 0.20 0.07 7HR 7HS C14H28N6O3 non-polymer 0.45 0.65 7HS 7HT C28H37N6O1 non-polymer 0.00 0.00 7HT 7HU C25H35N4O2 non-polymer 0.56 0.19 7HU 7HV C9Cl2H11N1O3S1 non-polymer 0.00 0.00 7HV 7HW C22H34O4 non-polymer 0.67 0.88 7HW 7HX C6H5N3O1 non-polymer 0.00 0.00 7HX 7HY C31H38N4O4 non-polymer 0.00 0.00 7HY 7HZ C28H35N5O7 non-polymer 0.56 0.57 7HZ 7I1 C26H26N2O3 non-polymer 0.00 0.00 7I1 7I2 C8H7N5O2 non-polymer 0.00 0.00 7I2 7I6 C24H32N4O2S2 non-polymer 0.00 0.00 7I6 7IA C12H10N2O3S1 non-polymer 0.00 0.00 7IA 7IG C19F2H19N5 non-polymer 0.00 0.00 7IG 7IM C29H46N4O10 non-polymer 0.57 0.53 7IM 7IN C21H27N5O6S1 non-polymer 0.53 0.39 7IN 7IP C20H20N2O1 non-polymer 0.00 0.00 7IP 7J0 C33H40N4O5 non-polymer 0.44 0.14 7J0 7J1 C32H34N4O5 non-polymer 0.44 0.15 7J1 7J2 C23F1H25N6O2 non-polymer 0.00 0.00 7J2 7J3 C9H16N2O3 peptide linking 0.00 0.00 7J3 7J4 C8H16N2O4 peptide linking 0.58 1.00 7J4 7J5 C24H31N5O4 non-polymer 0.57 0.15 7J5 7J6 C28H38N5O3 non-polymer 0.00 0.00 7J6 7J8 C40H46N4O16 non-polymer 0.00 0.00 7J8 7J9 Br1C30H29O8S1 non-polymer 0.00 0.00 7J9 7JA C18H29N1O4 L-peptide linking 0.58 0.65 7JA 7JB C18H17N1O4S1 non-polymer 0.39 0.21 7JB 7JC C18H20N4O4S2 non-polymer 0.00 0.00 7JC 7JD C14F1H9N2O2 non-polymer 0.00 0.00 7JD 7JE C29F1H24N3O4 non-polymer 0.00 0.00 7JE 7JF C20F3H11N2O2 non-polymer 0.00 0.00 7JF 7JG C20F2H12N2O2 non-polymer 0.00 0.00 7JG 7JH C13H11N3O2S1 non-polymer 0.00 0.00 7JH 7JJ C14Cl1F1H8N2O2 non-polymer 0.00 0.00 7JJ 7JK C19H20N4O3S1 non-polymer 0.00 0.00 7JK 7JL Br1C8H5N2O2 non-polymer 0.00 0.00 7JL 7JM C14H11N3O2 non-polymer 0.00 0.00 7JM 7JN C27F1H27N6O5 non-polymer 0.00 0.00 7JN 7JO C25F1H25N6O6 non-polymer 1.00 0.37 7JO 7JP C26F1H23N4O2 non-polymer 0.00 0.00 7JP 7JQ C14F1H9N2O1 non-polymer 0.00 0.00 7JQ 7JR C12H11N1O2 non-polymer 0.00 0.00 7JR 7JS C15F1H10N1O1 non-polymer 0.00 0.00 7JS 7JT C19H23N3O5 non-polymer 0.00 0.00 7JT 7JU C14F2H8N2O2 non-polymer 0.00 0.00 7JU 7JV C16H14N2O3 non-polymer 0.40 0.29 7JV 7JW C14F1H9N2O1 non-polymer 0.00 0.00 7JW 7JX Br1C9Cl1H5N1O1 non-polymer 0.00 0.00 7JX 7JY C31Cl1H31O8S1 non-polymer 0.00 0.00 7JY 7JZ C6F2H10O5 D-saccharide 1.00 0.85 7JZ 7K0 C18H29N4O7P1 non-polymer 0.40 0.77 7K0 7K1 C34H31N5O2 non-polymer 0.00 0.00 7K1 7K2 C12H23N1O7S1 non-polymer 1.00 0.52 7K2 7K3 C6H12O5S1 non-polymer 1.00 0.92 7K3 7K4 C20F1H19N2O2 non-polymer 0.00 0.00 7K4 7K6 Br1C31H31O8S1 non-polymer 0.00 0.00 7K6 7K7 C15H20N3O2S1 non-polymer 0.00 0.00 7K7 7K8 C9H16N3O8P1 non-polymer 1.00 0.43 7K8 7K9 C38H42N4O12 non-polymer 0.42 0.33 7K9 7KA C19H16N8O1 non-polymer 0.00 0.00 7KA 7KB C15H19N3O2S1 non-polymer 0.00 0.00 7KB 7KC C25H30N8O1S1 non-polymer 0.20 0.09 7KC 7KD C20F3H21N8O3S1 non-polymer 0.50 0.11 7KD 7KE C11Cl1H11N2O2 non-polymer 0.00 0.00 7KE 7KF C19H24N6O1 non-polymer 0.00 0.00 7KF 7KG C17F1H21N6O1 non-polymer 0.00 0.00 7KG 7KH C21H26N8O1 non-polymer 0.00 0.00 7KH 7KJ C28H28N4O3S1 non-polymer 0.00 0.00 7KJ 7KK Br1C21Cl2F2H11N2O3S1 non-polymer 0.00 0.00 7KK 7KL C27Cl1H21O7S1 non-polymer 0.58 0.14 7KL 7KM C20F1H17N2O3S1 non-polymer 0.00 0.00 7KM 7KN C18H23N8O1 non-polymer 0.00 0.00 7KN 7KO C16Cl1H15N6 non-polymer 0.00 0.00 7KO 7KP C20H22O8 non-polymer 1.00 0.43 7KP 7KQ C31H31N5O5S1 non-polymer 0.00 0.00 7KQ 7KR C31H31N5O4S1 non-polymer 0.00 0.00 7KR 7KS C34F3H34N5O5S1 non-polymer 0.00 0.00 7KS 7KT C10H15N1O2S1 non-polymer 0.00 0.00 7KT 7KU C14H19N5O1 non-polymer 0.00 0.00 7KU 7KV C16H21N5O1 non-polymer 0.00 0.00 7KV 7KW C19H15N5 non-polymer 0.00 0.00 7KW 7KX C15H14N4O1 non-polymer 0.00 0.00 7KX 7KY Br1C20Cl1H18N2O4 non-polymer 0.97 0.14 7KY 7KZ C22H35N5O2 non-polymer 0.00 0.00 7KZ 7L0 C14H13N5O3S1 non-polymer 0.00 0.00 7L0 7L1 C23H38N7O17P3S1 non-polymer 1.00 0.45 7L1 7L2 C24H34N10O17P3S1 non-polymer 1.00 0.36 7L2 7L3 C13H18N4O4S3 non-polymer 0.38 0.08 7L3 7L4 C15H11N1O1 non-polymer 0.00 0.00 7L4 7L5 C21Cl2F2H28N4O2S1 non-polymer 0.00 0.00 7L5 7L6 C20H29N5O3 non-polymer 0.00 0.00 7L6 7L7 C13F1H9N2O3S1 non-polymer 0.97 0.20 7L7 7L9 C14H9N1O6 non-polymer 0.00 0.00 7L9 7LB C17H20N2O1 non-polymer 0.45 0.30 7LB 7LD C20H25N3O1 non-polymer 0.00 0.00 7LD 7LE C20H32O4 non-polymer 0.58 0.83 7LE 7LF C22F1H18N2O1 non-polymer 0.00 0.00 7LF 7LG C43F1H66N5O7S1 non-polymer 0.60 0.12 7LG 7LH C16H20O9 non-polymer 1.00 0.52 7LH 7LI C18H23N3O3S1 non-polymer 0.58 0.16 7LI 7LK C19H19N5 non-polymer 0.00 0.00 7LK 7LL C18H14N2O3 non-polymer 0.25 0.22 7LL 7LM C36H63N1O9 non-polymer 1.00 0.46 7LM 7LN C27H29N5O2S2 non-polymer 0.43 0.28 7LN 7LO C22H32N10O17P3Se1 non-polymer 1.00 0.38 7LO 7LP C34H58N2O10 non-polymer 1.00 0.46 7LP 7LQ C7H12O3 non-polymer 0.00 0.00 7LQ 7LR C18Cl1H19N6O4S1 non-polymer 0.00 0.00 7LR 7LS C23H22N4O7 non-polymer 1.00 0.35 7LS 7LT C44Cl2H49N5O4 non-polymer 0.00 0.00 7LT 7LU C15Cl1H9O5 non-polymer 0.00 0.00 7LU 7LV C26Cl2H29N5O2 non-polymer 0.20 0.09 7LV 7LW C37Cl2H43N5O6S1 non-polymer 0.00 0.00 7LW 7LX C20H20N2O4 non-polymer 0.00 0.00 7LX 7LY C27H26N4O2 non-polymer 0.00 0.00 7LY 7LZ C32H52O6 non-polymer 0.38 0.18 7LZ 7M0 Br2C6H3N3 non-polymer 0.00 0.00 7M0 7M1 C24H18O5S1 non-polymer 0.00 0.00 7M1 7M2 C16H13N3 non-polymer 0.00 0.00 7M2 7M3 C19H21N3O1 non-polymer 0.20 0.13 7M3 7M4 Br1C30H27O7S1 non-polymer 0.38 0.10 7M4 7M5 C16H11N3 non-polymer 0.00 0.00 7M5 7M6 C9Cl1F1H10N2O2S1 non-polymer 0.00 0.00 7M6 7M7 Br1C24H17O5S1 non-polymer 0.00 0.00 7M7 7M8 C25H23N3O4 non-polymer 0.00 0.00 7M8 7M9 C21H14N2O1 non-polymer 0.00 0.00 7M9 7MA C23H26N4O4S1 non-polymer 0.00 0.00 7MA 7MB Br1C12H13N4O3 non-polymer 0.00 0.00 7MB 7MC C19H29N8O10P1 non-polymer 1.00 0.63 7MC 7MD C17H27N8O9P1 non-polymer 1.00 0.69 7MD 7ME C9H14N4 non-polymer 0.00 0.00 7ME 7MF Br1C17H19N1O2 non-polymer 0.00 0.00 7MF 7MG C11H18N5O8P1 RNA linking 1.00 0.40 7MG 7MH C7H9N1O1S1 non-polymer 0.00 0.00 7MH 7MI C26H34O8 non-polymer 1.00 0.59 7MI 7MJ C20H19N5O3 non-polymer 0.00 0.00 7MJ 7MK C11H16N1O2 non-polymer 0.00 0.00 7MK 7ML C17H20N1O2 non-polymer 0.00 0.00 7ML 7MN C19H23N3O7P1 peptide linking 0.93 0.13 7MN 7MP C22F3H18N6O2 non-polymer 0.00 0.00 7MP 7MQ C46H64O2 non-polymer 0.38 0.69 7MQ 7MR C16F3H15N2O5S1 non-polymer 0.20 0.26 7MR 7MS C20H32O4 non-polymer 0.67 0.83 7MS 7MT C20H23N5O4Tb1 non-polymer 0.00 0.00 7MT 7MU C7Cl1H7N2O1 non-polymer 0.50 0.36 7MU 7MV C23Cl1F1H18N2O1 non-polymer 0.00 0.00 7MV 7MW C9H11N1O3 non-polymer 0.97 0.62 7MW 7MX C9Cl1H10N1O3 non-polymer 0.75 0.36 7MX 7MY C28H31N5O2 non-polymer 0.00 0.00 7MY 7MZ C12H10N2O2 non-polymer 0.62 0.19 7MZ 7N0 C7H10O3 non-polymer 0.00 0.00 7N0 7N1 C23F2H15N3O4 non-polymer 0.00 0.00 7N1 7N2 C23F3H16N3O2S1 non-polymer 0.00 0.00 7N2 7N3 C15H12N4O3S2 non-polymer 0.00 0.00 7N3 7N4 B1C13Cl1F1H11O2 non-polymer 0.00 0.00 7N4 7N5 C6H10O3 non-polymer 0.69 0.78 7N5 7N6 C6H12O3 non-polymer 0.00 0.00 7N6 7N7 B1C10H9O2 non-polymer 0.00 0.00 7N7 7N8 B1C9H12N1O4 L-peptide linking 0.00 0.00 7N8 7N9 C8Cl1H11N1O1 non-polymer 0.00 0.00 7N9 7NA C13H12O4 non-polymer 0.00 0.00 7NA 7NB C30F1H33N8O2S1 non-polymer 0.00 0.00 7NB 7NC C17H14N2O2S1 non-polymer 0.00 0.00 7NC 7ND B1Br1C12H10O3 non-polymer 0.00 0.00 7ND 7NF C7H7N1O4S1 non-polymer 0.75 0.38 7NF 7NG C28F1H29N4O3 non-polymer 0.50 0.31 7NG 7NH C21H18N4O2 non-polymer 0.00 0.00 7NH 7NI C7H5N3O2 non-polymer 0.00 0.00 7NI 7NJ B1Br1C7H8O2 non-polymer 0.00 0.00 7NJ 7NM B1C14H15O2 non-polymer 0.00 0.00 7NM 7NP C12H14O2 non-polymer 0.00 0.00 7NP 7NQ C13H15N3O2 non-polymer 0.00 0.00 7NQ 7NS B1Br1C10H13N1O1 non-polymer 0.00 0.00 7NS 7NT C13H16N4O2S1 non-polymer 0.00 0.00 7NT 7NU C13H16O6 non-polymer 1.00 0.68 7NU 7NV C23H27N3O6 non-polymer 0.00 0.00 7NV 7NW C5H5N1O2S1 non-polymer 0.00 0.00 7NW 7NX C8H14O3 non-polymer 0.00 0.00 7NX 7O0 C22H18O3 non-polymer 0.58 0.20 7O0 7O2 C35H40N3O4P1 non-polymer 0.00 0.00 7O2 7O3 C16Cl2H12N4O2 non-polymer 0.00 0.00 7O3 7O4 C8H6N2O3 non-polymer 0.00 0.00 7O4 7O6 C17H20N4O10P1 non-polymer 1.00 0.31 7O6 7O7 C33H42N4O7S2 non-polymer 0.00 0.00 7O7 7O8 C11Cl1H10N1O2S3 non-polymer 0.00 0.00 7O8 7O9 C19F3H17N2O6 non-polymer 0.71 0.33 7O9 7OA C33F2H40N4O7S2 non-polymer 0.00 0.00 7OA 7OD C8H14O3 non-polymer 0.93 0.73 7OD 7OG C22H21N5O1 non-polymer 0.00 0.00 7OG 7OJ Br1C18F3H15N5O1 non-polymer 0.00 0.00 7OJ 7OM C22H22N6O1 non-polymer 0.00 0.00 7OM 7OP C18F3H16N5O1 non-polymer 0.00 0.00 7OP 7OS C30F4H35N1O4 non-polymer 0.46 0.21 7OS 7OV C18F3H15I1N5O1 non-polymer 0.00 0.00 7OV 7OX C46Cl1H40N1O18 non-polymer 1.00 0.70 7OX 7OY C18Cl1F3H15N5O1 non-polymer 0.00 0.00 7OY 7P0 C28Cl1H24N7O4 non-polymer 0.00 0.00 7P0 7P1 C17H18N1O8P1 non-polymer 0.00 0.00 7P1 7P2 C18H20N1O8P1 non-polymer 0.00 0.00 7P2 7P3 C19H22N1O8P1 non-polymer 0.00 0.00 7P3 7P4 C18F4H15N5O1 non-polymer 0.00 0.00 7P4 7P7 C42H46N6O11S2 non-polymer 1.00 0.15 7P7 7P9 C19H37O8P1 non-polymer 0.98 0.50 7P9 7PA C3H10O6P2 non-polymer 0.00 0.00 7PA 7PC C18Cl1H15N2O2 non-polymer 0.00 0.00 7PC 7PE C14H30O7 non-polymer 0.88 1.00 7PE 7PF C15H18O5 non-polymer 0.00 0.00 7PF 7PG C17H36O9 non-polymer 0.88 1.00 7PG 7PH C29H57O8P1 non-polymer 0.98 0.37 7PH 7PJ C7H7N5O3S1 non-polymer 0.00 0.00 7PJ 7PM C13H11N5O3S1 non-polymer 0.00 0.00 7PM 7PP C21Cl1H24N5O2 non-polymer 0.55 0.21 7PP 7PQ C24H27N3O2 non-polymer 0.00 0.00 7PQ 7PR C6H9O6Pr1 non-polymer 0.97 0.92 7PR 7PS C8H10N6O2S1 non-polymer 0.00 0.00 7PS 7PT C15H16O5 non-polymer 0.00 0.00 7PT 7PV C13H14N6O3S2 non-polymer 0.00 0.00 7PV 7PY C20H19N5O3 non-polymer 0.00 0.00 7PY 7Q1 C9H7N1O3 non-polymer 0.00 0.00 7Q1 7Q7 C23H20N4O3 non-polymer 0.00 0.00 7Q7 7QA C11H19N3O7 non-polymer 0.64 0.29 7QA 7QD C7H8O8 non-polymer 0.96 1.00 7QD 7QM C19H39N5O10 non-polymer 1.00 0.97 7QM 7QN C23H27N1O3 non-polymer 0.58 0.19 7QN 7QQ C10H10N2O2S1 non-polymer 0.00 0.00 7QQ 7QS C9H7N1O2S1 non-polymer 0.00 0.00 7QS 7QV C11H11N1O5 non-polymer 0.00 0.00 7QV 7QY C12H13N1O4S1 non-polymer 0.00 0.00 7QY 7R1 C12H13N1O3S2 non-polymer 0.00 0.00 7R1 7R2 C19H26N4S1 non-polymer 0.29 0.17 7R2 7R4 C10H9N1O1S2 non-polymer 0.00 0.00 7R4 7R7 C11H11N1O4S1 non-polymer 0.00 0.00 7R7 7R9 C26Cl1F2H32N5O6S2 non-polymer 0.20 0.07 7R9 7RA C10H14N5O7P1 non-polymer 1.00 0.43 7RA 7RD C14H19N3O2S1 non-polymer 0.38 0.20 7RD 7RG C20H25N7O2 non-polymer 0.00 0.00 7RG 7RM C12H16N6O7S1 non-polymer 1.00 0.38 7RM 7RO C25Cl1H27N6O3 non-polymer 0.56 0.29 7RO 7RP C10H13N4O7P1 non-polymer 1.00 0.45 7RP 7RS C20F2H24N4O1 non-polymer 0.00 0.00 7RS 7RV C28H32N4O2S1 non-polymer 0.00 0.00 7RV 7RY C25H34N4O2 non-polymer 0.00 0.00 7RY 7S1 C19H17N5 non-polymer 0.23 0.29 7S1 7S4 C26H30N6O3 non-polymer 0.38 0.06 7S4 7S7 C22H28N6 non-polymer 0.00 0.00 7S7 7S9 C17H24N4 non-polymer 0.20 0.14 7S9 7SA C44H74N2O30 saccharide 1.00 0.72 7SA 7SB C13Cl1H11N4O1 non-polymer 0.00 0.00 7SB 7SD C23H25N7O1 non-polymer 0.00 0.00 7SD 7SG C24H35N4O19P3 non-polymer 1.00 0.56 7SG 7SI C11H12O2 non-polymer 0.00 0.00 7SI 7SJ C19H20N4O3 non-polymer 1.00 0.54 7SJ 7SK C24H27N1O4 non-polymer 0.56 0.41 7SK 7SM C30H33N1O5 non-polymer 0.00 0.00 7SM 7SP C19H17N3O2 non-polymer 0.00 0.00 7SP 7SS C30H33N1O5 non-polymer 0.00 0.00 7SS 7SV C29F1H30N1O4 non-polymer 0.00 0.00 7SV 7SX C12H14N1O4P1 non-polymer 0.00 0.00 7SX 7SY C29F1H30N1O4 non-polymer 0.00 0.00 7SY 7T1 C21F3H18N1O3S2 non-polymer 0.00 0.00 7T1 7T7 C21H23N3O3 non-polymer 0.00 0.00 7T7 7T9 C17F1H19N2O2S1 non-polymer 0.00 0.00 7T9 7TA C23H26N4O2 non-polymer 0.00 0.00 7TA 7TD C16H21N3O4 non-polymer 0.50 0.70 7TD 7TJ C28Cl1F3H22N4O4 non-polymer 0.00 0.00 7TJ 7TL C21Cl1F3H18N4O4S1 non-polymer 0.97 0.12 7TL 7TM C36H42N6O5S1 non-polymer 0.00 0.00 7TM 7TO C30F3H28N5O6S2 non-polymer 0.00 0.00 7TO 7TP C33H32N4O6S1 non-polymer 0.00 0.00 7TP 7TQ C37H36N6O5S1 non-polymer 0.00 0.00 7TQ 7TR C34H38N6O5S1 non-polymer 0.00 0.00 7TR 7TS C11H14N3O7P1 non-polymer 0.00 0.00 7TS 7TV C29H33N1O5 non-polymer 0.00 0.00 7TV 7TX C25F1H29N4O3 non-polymer 0.00 0.00 7TX 7TY C29H33N1O5 non-polymer 0.00 0.00 7TY 7U1 C29H31N1O4 non-polymer 0.00 0.00 7U1 7U3 C13F1H14N3O2 non-polymer 0.00 0.00 7U3 7U4 C28H30N2O4 non-polymer 0.00 0.00 7U4 7U6 C13H15N5O2 non-polymer 0.00 0.00 7U6 7U7 C27H29N1O5 non-polymer 0.00 0.00 7U7 7U9 C13H15N5O2 non-polymer 0.00 0.00 7U9 7UA C27H29N1O5 non-polymer 0.00 0.00 7UA 7UC C6H11N1O4 non-polymer 0.69 1.00 7UC 7UD C31H31N1O5 non-polymer 0.00 0.00 7UD 7UG C31H31N1O4S1 non-polymer 0.00 0.00 7UG 7UJ C29H33N1O4 non-polymer 0.50 0.18 7UJ 7UL C22F4H20N4O3 non-polymer 0.00 0.00 7UL 7UP C22H19N3 non-polymer 0.00 0.04 7UP 7UR C24F1H21N2O3 non-polymer 0.00 0.00 7UR 7UU C18H18N2O3S1 non-polymer 0.50 0.17 7UU 7UV B2C14Cl1H13O3 non-polymer 0.25 0.10 7UV 7UX C16H19N3O1S1 non-polymer 0.00 0.00 7UX 7UY C27H31N1O4S1 non-polymer 0.50 0.18 7UY 7UZ C10H16O4 non-polymer 0.70 0.64 7UZ 7V1 C27H31N1O5 non-polymer 0.50 0.18 7V1 7V3 C13Cl1H12N1 non-polymer 0.00 0.00 7V3 7V4 C27H31N1O5 non-polymer 0.50 0.18 7V4 7V6 B1C16H17O4 non-polymer 0.00 0.00 7V6 7V7 C22H28N2O1 non-polymer 0.00 0.00 7V7 7V9 C17H26N3O8P1S1 non-polymer 0.62 0.33 7V9 7VA C20H19N3O4S1 non-polymer 0.00 0.00 7VA 7VC C17H15N1O2 non-polymer 0.00 0.00 7VC 7VD C3H7O4P1 non-polymer 0.00 0.00 7VD 7VF C16H13N1O2 non-polymer 0.00 0.00 7VF 7VG B1C14Cl1H12O4 non-polymer 0.25 0.10 7VG 7VJ C5H7N5O2 non-polymer 1.00 0.83 7VJ 7VL C16Cl1H12N1O1 non-polymer 0.00 0.00 7VL 7VM C28H34N4O2 non-polymer 0.50 0.12 7VM 7VO C14H23N2O7P1 non-polymer 0.58 0.38 7VO 7VP C10H10N2 non-polymer 0.00 0.00 7VP 7VR C22H28N4O3 non-polymer 0.57 0.17 7VR 7VS C9H9N3 non-polymer 0.00 0.00 7VS 7VV C18F1H24N3O1 non-polymer 0.00 0.00 7VV 7VX C29H44O3 non-polymer 0.00 0.00 7VX 7VY C13H19N1O1 non-polymer 0.00 0.00 7VY 7W0 C26H22N2O5 non-polymer 0.18 0.24 7W0 7W1 C10H10N2 non-polymer 0.00 0.00 7W1 7W3 C21F3H17N2O5 non-polymer 0.18 0.26 7W3 7W4 C8H9N3 non-polymer 0.00 0.00 7W4 7W6 Br1C20H17N2O5 non-polymer 0.18 0.29 7W6 7W7 C14H19N3O2 non-polymer 0.00 0.00 7W7 7W9 C24H20N2O5 non-polymer 0.18 0.26 7W9 7WA C7H7N3 non-polymer 0.00 0.00 7WA 7WB C11H8N2S1 non-polymer 0.00 0.00 7WB 7WD C15H17N3O2 non-polymer 0.00 0.00 7WD 7WF C10H22N2O8S2 non-polymer 0.00 0.00 7WF 7WG C6H9N3 non-polymer 0.00 0.00 7WG 7WH C15H14N2O5 non-polymer 0.64 0.27 7WH 7WI C10Cl1H13N2O2 non-polymer 0.50 0.33 7WI 7WJ C20H19N5O3 non-polymer 0.50 0.36 7WJ 7WL C21F3H18N1O4S3 non-polymer 0.00 0.00 7WL 7WO C11H8O2 non-polymer 0.00 0.00 7WO 7WP C7H6N6O1 non-polymer 0.00 0.00 7WP 7WQ C8H8O3 non-polymer 0.00 0.00 7WQ 7WR C8H8O5 non-polymer 0.00 0.00 7WR 7WU C26H34O8 non-polymer 1.00 0.59 7WU 7WV Br1C7H5O2 non-polymer 0.00 0.00 7WV 7WX C26H34O8 non-polymer 0.29 0.24 7WX 7WY C22Cl1H19N6 non-polymer 0.00 0.00 7WY 7X0 C26H36O9 non-polymer 0.65 0.29 7X0 7X1 C24Cl1H27N4O4 non-polymer 0.00 0.00 7X1 7X2 C20Cl1H19N4O5 non-polymer 0.00 0.00 7X2 7X3 C19Cl1H20N5O4 non-polymer 0.00 0.00 7X3 7X4 C17Cl1H14N5O4S1 non-polymer 0.00 0.00 7X4 7X5 C18Cl1H15N4O4S1 non-polymer 0.00 0.00 7X5 7X6 C18Cl1H16N5O4S1 non-polymer 0.00 0.00 7X6 7X7 C21Cl1H20N5O3 non-polymer 0.00 0.00 7X7 7X8 C18Cl1H14N5O3 non-polymer 0.00 0.00 7X8 7XA C7H16N2O2 non-polymer 0.00 0.00 7XA 7XC C10H14N4O2 D-peptide linking 0.00 0.00 7XC 7XD C27H22N4O2 non-polymer 0.00 0.00 7XD 7XF C12H19N2O7P1S1 non-polymer 0.00 0.00 7XF 7XG C25F1H30N5O1 non-polymer 0.20 0.09 7XG 7XJ C17H16N4O1 non-polymer 0.00 0.00 7XJ 7XL C11H19N3O11P2 non-polymer 1.00 0.59 7XL 7XM C9H9N3 non-polymer 0.00 0.00 7XM 7XO C25H30N8 non-polymer 0.36 0.12 7XO 7XP C17H34N4O10 non-polymer 1.00 1.00 7XP 7XR C27H32N8 non-polymer 0.00 0.00 7XR 7XS C20H25N5O2 non-polymer 0.00 0.00 7XS 7XU C28H34N8 non-polymer 0.00 0.00 7XU 7XV C18H22N4O2 non-polymer 0.00 0.00 7XV 7XX C13Cl2H10N2O2 non-polymer 0.00 0.00 7XX 7XY C29Cl1H27N2O5S2 non-polymer 0.00 0.00 7XY 7Y0 C28Cl4H22N4O4 non-polymer 0.40 0.20 7Y0 7Y1 C20H22N6O1 non-polymer 0.58 0.15 7Y1 7Y3 Br1C7H5N2O2S2 non-polymer 0.00 0.00 7Y3 7Y4 C24H30N8 non-polymer 0.20 0.09 7Y4 7Y6 C21Cl1H24N3O3 non-polymer 0.20 0.14 7Y6 7Y7 C26H21N7O4 non-polymer 0.00 0.00 7Y7 7Y9 C30H30N2O3 non-polymer 0.38 0.06 7Y9 7YA C20H19N5O3 non-polymer 0.64 0.21 7YA 7YC C14H13N3O6 non-polymer 0.20 0.17 7YC 7YF C13H20N6O4 peptide-like 0.36 0.39 7YF 7YG C20H23N7O3S1 non-polymer 0.20 0.10 7YG 7YJ C22H23N5O3 non-polymer 0.59 0.27 7YJ 7YL C5H5N1O3 peptide-like 0.00 0.00 7YL 7YM C24H23N9O4 non-polymer 0.00 0.00 7YM 7YO C5H7N1O3 peptide linking 0.00 0.00 7YO 7YP C19H23N3O5 non-polymer 0.38 0.33 7YP 7YR C19H28N8O6 peptide-like 0.00 0.00 7YR 7YS C21Cl1F1H22N6O3 non-polymer 0.00 0.00 7YS 7YU C35H29N5O8S1 non-polymer 0.62 0.08 7YU 7Z0 Br1C21F2H13N4O3S1 non-polymer 0.00 0.06 7Z0 7Z1 C29F1H29N4O2 non-polymer 0.00 0.00 7Z1 7Z3 C11H16N2 non-polymer 0.00 0.00 7Z3 7Z4 C26H20N6O4 non-polymer 0.00 0.00 7Z4 7Z5 C17H19N3O3 non-polymer 0.00 0.00 7Z5 7Z6 C18Cl1H15N6O1 non-polymer 0.00 0.00 7Z6 7Z7 C20H19N5O4 non-polymer 0.84 0.24 7Z7 7Z9 C14H12N4O1S1 non-polymer 0.00 0.00 7Z9 7ZA C32H36N4O3 non-polymer 0.58 0.10 7ZA 7ZC C12H16N2O1 non-polymer 0.20 0.20 7ZC 7ZD C26H23N5O3 non-polymer 0.00 0.00 7ZD 7ZE C9H6N2O2 non-polymer 0.00 0.00 7ZE 7ZF C9H9N5 non-polymer 0.00 0.00 7ZF 7ZG C15Cl1H13N4O1 non-polymer 0.00 0.00 7ZG 7ZJ C18H20N6O4S1 non-polymer 0.00 0.00 7ZJ 7ZL C10Cl1H9N4 non-polymer 0.00 0.00 7ZL 7ZM C15H13N5O2 non-polymer 0.00 0.00 7ZM 7ZO C12Cl1H9N4O1 non-polymer 0.00 0.00 7ZO 7ZP C24F2H18N6O2 non-polymer 0.00 0.00 7ZP 7ZS C8H6O4 non-polymer 0.00 0.00 7ZS 7ZU C28H44O3 non-polymer 0.58 0.35 7ZU 7ZV C14Cl2H11N1O3 non-polymer 0.00 0.00 7ZV 7ZY C24H20N6O2 non-polymer 0.00 0.00 7ZY 801 C13H11N5O1 non-polymer 0.00 0.00 801 802 C14F1H11N4O1 non-polymer 0.00 0.00 802 803 C24H36O5 non-polymer 0.65 0.24 803 804 C28H27N5 non-polymer 0.00 0.00 804 806 C31H31N5O1 non-polymer 0.00 0.00 806 808 C18F3H20N1O3S1 non-polymer 0.00 0.00 808 809 C19Cl1H15N2O3 non-polymer 0.00 0.00 809 80A C18H22N2O2 non-polymer 0.00 0.00 80A 80F C24H34N8O16P2S1 non-polymer 1.00 0.45 80F 80G C11H11N1S1 non-polymer 0.00 0.00 80G 80K C22H30N4O3S1 non-polymer 0.56 0.17 80K 80L C16Cl1H14N5O5 non-polymer 0.00 0.00 80L 80O C20H24N4O3 non-polymer 0.20 0.15 80O 80Q C11F3H13N2O1 non-polymer 0.00 0.00 80Q 80R C13Cl1H9N4O3 non-polymer 0.00 0.00 80R 80U C24Cl1H25N8O2 non-polymer 0.38 0.14 80U 810 C13H14N6O3 non-polymer 0.00 0.00 810 812 C18H22N2O1 non-polymer 0.00 0.00 812 814 C35H44N2O9 non-polymer 0.00 0.00 814 815 C21H19N5O3S2 non-polymer 0.00 0.00 815 816 C26Cl1H26N7O2 non-polymer 0.38 0.14 816 817 C10F3H11N4S1 non-polymer 0.00 0.00 817 818 C43H69N1O13 non-polymer 1.00 0.42 818 819 C21H24N4O4S1 non-polymer 0.00 0.00 819 81A C20H25N3O7S2 non-polymer 0.38 0.25 81A 81B C7H11N1O3 non-polymer 0.00 0.00 81B 81C C29Cl1H36N7O4S1 non-polymer 0.38 0.12 81C 81G C21F1H21N4O2S1 non-polymer 0.00 0.00 81G 81J C9H10O3 non-polymer 0.00 0.00 81J 81M C9H10O2S1 non-polymer 0.00 0.00 81M 81R C5H11N1O2S2 L-peptide linking 0.00 0.00 81R 81S C5H11N1O2S2 L-peptide linking 0.00 0.00 81S 81U C12H9N3O1 non-polymer 0.00 0.00 81U 81V C25F2H27N3O5 non-polymer 0.43 0.31 81V 81Y C19H22N4O2 non-polymer 0.58 0.16 81Y 821 C33H33N3O6 non-polymer 0.36 0.19 821 822 C31F2H34N3O6P1 non-polymer 0.00 0.00 822 823 C10H20N2O3S2 L-peptide linking 0.00 0.00 823 824 C20H12N2O3 non-polymer 0.00 0.00 824 825 Br1C22F2H18O4P1 non-polymer 0.00 0.00 825 826 C25H22N2O3 non-polymer 0.00 0.00 826 827 C19H38N4O10 non-polymer 1.00 0.97 827 829 C15H17N5O5 non-polymer 1.00 0.40 829 82A C22Cl2F1H17N4O2 non-polymer 0.38 0.29 82A 82B Br1C26H30N7O2 non-polymer 0.00 0.00 82B 82D Br1C22F1H25N3 non-polymer 0.20 0.11 82D 82E C13H12N4O3S2 non-polymer 0.00 0.00 82E 82F C27H38N6O2 non-polymer 0.00 0.00 82F 82G C24F1H28N3 non-polymer 0.20 0.11 82G 82I C6Cl1H8N3O1 non-polymer 0.00 0.00 82I 82J C31H36N4O6S1 non-polymer 0.00 0.00 82J 82M C18Cl1F1H18N4O2S1 non-polymer 0.00 0.00 82M 82N C1Fe3N1Ni1S4 non-polymer 0.00 0.00 82N 82O C28H39N5O2 non-polymer 0.00 0.00 82O 82R C27H44O4 non-polymer 0.00 0.00 82R 82S Br1C10H17 non-polymer 0.00 0.00 82S 82V C19H17N1O5S1 non-polymer 0.00 0.00 82V 82X C28Cl2H21N1O4S1 non-polymer 0.00 0.00 82X 82Y C18H16N2O5S1 non-polymer 0.00 0.00 82Y 830 C17H18K2N1O5P1 non-polymer 0.00 0.00 830 831 C29F3H24N5O1 non-polymer 0.20 0.08 831 833 C11H11N3O2 non-polymer 0.00 0.00 833 834 C23Cl1H24N3O3 non-polymer 0.00 0.00 834 836 C26F3H24N7O3 non-polymer 0.50 0.10 836 837 C20H19N1O5S1 non-polymer 0.75 0.19 837 838 C30H44N4O6 non-polymer 0.00 0.00 838 839 C23H16N2O5 non-polymer 0.00 0.00 839 83A C20H22N6O6 non-polymer 0.68 0.38 83A 83D C14F1H11O3 non-polymer 0.15 0.28 83D 83G C22H22N4O4 non-polymer 0.23 0.27 83G 83H C21H24N4O1 non-polymer 0.00 0.00 83H 83J C24H23N7O4 non-polymer 0.23 0.23 83J 83L C30Fe1H18N6 non-polymer 0.00 0.00 83L 83M C34H54N6O7 non-polymer 0.00 0.00 83M 83O C5H8N4O2 non-polymer 0.00 0.00 83O 83P C27H24N6O3 non-polymer 0.00 0.00 83P 83R C12H8S1 non-polymer 0.00 0.00 83R 83S C19H19N1O3 non-polymer 0.00 0.00 83S 83T C24H31N3O3 non-polymer 0.58 0.13 83T 83U C12H8O1S1 non-polymer 0.00 0.00 83U 83X C8H8O4 non-polymer 0.62 0.25 83X 83Y C6H12O8S1 non-polymer 1.00 0.73 83Y 840 C24H25N1O8 non-polymer 0.00 0.00 840 841 C16H24N4O1 non-polymer 0.00 0.00 841 842 C27F2H32N4O2 non-polymer 0.00 0.00 842 843 C30H34N3O7P1 non-polymer 0.00 0.00 843 844 C24H27N3O3 non-polymer 0.00 0.00 844 845 C24F3H22N7O2 non-polymer 0.00 0.00 845 846 C34H36N4O4S1 non-polymer 0.00 0.00 846 847 Br1C18H13N4O5 non-polymer 0.46 0.39 847 848 C12H12N2O1 non-polymer 0.00 0.00 848 849 C23F1H28N3O1 non-polymer 0.00 0.00 849 84A C18Fe1H8N4O2S1 non-polymer 0.00 0.00 84A 84D C18H37N5O8 non-polymer 1.00 0.71 84D 84F C20H23N1O6 non-polymer 0.00 0.00 84F 84G C22H44N6O10 non-polymer 1.00 0.58 84G 84J Br1C17H17N3O5P1 non-polymer 0.00 0.00 84J 84M C16H13N7O1S1 non-polymer 0.00 0.00 84M 84P C21H19N9O1 non-polymer 0.00 0.00 84P 84R C16H16N4O2S1 non-polymer 0.00 0.00 84R 84T C16H25N6O8P1 non-polymer 1.00 0.65 84T 84U C23F1H21N4O2S1 non-polymer 0.00 0.00 84U 84X C23H22N4O3 non-polymer 0.00 0.00 84X 851 C29H36N4O2S1 non-polymer 0.45 0.19 851 852 C34H35N3O9 non-polymer 0.50 0.22 852 853 C33H35N3O7 non-polymer 0.00 0.00 853 854 C15H21N1O4S1 non-polymer 0.55 0.38 854 855 C19H15N5 non-polymer 0.00 0.00 855 856 C11H12O5 non-polymer 0.98 0.62 856 857 C26Cl1H26N5O4 non-polymer 0.50 0.11 857 858 C53H78N2O12 non-polymer 1.00 0.36 858 859 C17H15N5O2 non-polymer 0.00 0.00 859 85A C23Cl1H22N7O3 non-polymer 0.00 0.00 85A 85C C22Cl1H21N4O4 non-polymer 1.00 0.29 85C 85D Br1C10H15 non-polymer 0.00 0.00 85D 85F C6H12N2O4S1 L-peptide linking 0.57 1.00 85F 85G C7H14N2O3 L-peptide linking 0.00 0.00 85G 85J C8H16N2O3 L-peptide linking 0.00 0.00 85J 85M C28H31N1O4 non-polymer 0.00 0.00 85M 85P C16Cl1F1H9N1O5S1 non-polymer 0.00 0.00 85P 85S C26H30N8O2 non-polymer 0.00 0.00 85S 85V C23Cl1H23N2O5 non-polymer 1.00 0.32 85V 85X C24H18N4O1 non-polymer 0.00 0.00 85X 85Y C21H22N3O9P1 RNA linking 1.00 0.56 85Y 85Z C26F1H19O5 non-polymer 0.58 0.16 85Z 861 C25H33N1O7S1 non-polymer 0.50 0.26 861 862 C23H25N9O2 non-polymer 0.62 0.09 862 864 C22H29N2O6P1 non-polymer 0.00 0.00 864 865 C37H36N6O4 non-polymer 0.00 0.00 865 866 C23Cl2F4H21N5O3 non-polymer 0.50 0.35 866 869 C23H26N2O5S1 non-polymer 0.39 0.16 869 86A C22H29N4O6P1 non-polymer 0.47 0.42 86A 86B C12H20N2O4S1 non-polymer 0.58 0.47 86B 86D C17F5H10N1O4S1 non-polymer 0.00 0.00 86D 86J C8F1H8N3 non-polymer 0.00 0.00 86J 86L C10Cl1H14N1O1 non-polymer 0.58 0.31 86L 86M C15H13N3O3 non-polymer 1.00 0.48 86M 86P C20H28N10O21P4 non-polymer 1.00 0.36 86P 86S C20H26N10O15P2 non-polymer 1.00 0.49 86S 86U C16F2H17N3O2 non-polymer 0.00 0.00 86U 86V C29H31N1O4 non-polymer 0.00 0.00 86V 86X C16Cl1F1H17N3O2 non-polymer 0.00 0.00 86X 86Y C29H31N1O4 non-polymer 0.00 0.00 86Y 870 C20Cl2H15N3O4S1 non-polymer 0.00 0.00 870 871 C20H20N2O2 non-polymer 0.00 0.00 871 872 C17F6H19N3O2 non-polymer 0.00 0.00 872 873 C16H21N3O3 non-polymer 0.00 0.00 873 874 C19H21N1O4 non-polymer 0.00 0.00 874 876 C30H35N3O9P2 non-polymer 0.00 0.00 876 877 Br1C18H19N4O4 non-polymer 1.00 0.41 877 878 C9H6I1N1O5 non-polymer 0.00 0.00 878 879 C26Cl1H20N5O1 non-polymer 0.00 0.00 879 87C C16H23N3O3 non-polymer 0.00 0.00 87C 87D C20H20N2O5S1 non-polymer 0.00 0.00 87D 87F C16H19N3O2 non-polymer 0.00 0.00 87F 87G C22F2H19N3O4S1 non-polymer 0.00 0.00 87G 87J C28Cl1F3H22N4O4S1 non-polymer 0.00 0.00 87J 87L C12H11N1O2 non-polymer 0.00 0.00 87L 87M C21H20N4O4S1 non-polymer 0.00 0.00 87M 87O C16H33O5P1 non-polymer 0.00 0.00 87O 87P C22H22N2O4S1 non-polymer 0.00 0.00 87P 87R C18F3H17N4O2 non-polymer 0.00 0.00 87R 87S C18Cl1H15N2O2 non-polymer 0.00 0.00 87S 87T C20H19N5O2 non-polymer 0.00 0.00 87T 87U C26F1H23N4O3 non-polymer 0.38 0.06 87U 87V C12H12N2O1 non-polymer 0.00 0.00 87V 87X C11H20O2 non-polymer 0.00 0.00 87X 87Y C16H19N5O2 non-polymer 0.00 0.00 87Y 880 C27Cl2H34N6 non-polymer 0.00 0.00 880 881 C38H40N8O3 non-polymer 0.00 0.00 881 882 C33F2H34N2O5 non-polymer 0.36 0.10 882 883 C19F1H16N7O1 non-polymer 0.00 0.00 883 885 C12Cl1H15N2O4S1 non-polymer 0.00 0.00 885 886 C28H31N1O6S1 non-polymer 0.59 0.36 886 887 C25H22N2O4 non-polymer 0.00 0.00 887 888 C21H21N3O4S1 non-polymer 0.00 0.00 888 889 C19H31N5O2 non-polymer 0.00 0.00 889 88A C23H23N5O3S1 non-polymer 0.00 0.00 88A 88D C21H20N2O2Se1 non-polymer 0.00 0.00 88D 88G C23H22N2O2 non-polymer 0.00 0.00 88G 88J C27Cl1H24N5O1 non-polymer 0.20 0.09 88J 88L C8H11O4P1 non-polymer 0.00 0.00 88L 88M C22F2H24N2O5S1 non-polymer 0.00 0.00 88M 88N C25H27N3O6S1 non-polymer 0.65 0.26 88N 88P C12H15N1O3 non-polymer 0.75 0.31 88P 88Q C12H22O6 non-polymer 0.00 0.00 88Q 88R C12H14O6 non-polymer 0.65 0.50 88R 88S C12H14N4O2S1 non-polymer 0.00 0.00 88S 88U C17H17N3O1 non-polymer 0.00 0.00 88U 88V C24H26N4O6S1 non-polymer 0.65 0.26 88V 88W C14H18N4O2S1 non-polymer 0.00 0.00 88W 88X C15H13N3O2 non-polymer 0.00 0.00 88X 88Y C13H14N2O1 non-polymer 0.62 0.19 88Y 88Z C34F2H34N4O6 non-polymer 0.00 0.00 88Z 890 C17H16N2O3 non-polymer 0.00 0.00 890 891 C18F2H18N4O4S1 non-polymer 0.00 0.00 891 892 Br2C23H18N2O7S2 non-polymer 0.00 0.00 892 893 C18H19N3O4 non-polymer 0.00 0.00 893 894 C17Cl1H24N3O5S2 non-polymer 0.00 0.00 894 895 C17Cl1H22N3O5S2 non-polymer 0.25 0.07 895 896 C21H29N3O2 non-polymer 0.57 0.50 896 897 C26H38N4O3 non-polymer 0.57 0.61 897 898 C20Cl1F1H23N3O3S2 non-polymer 0.35 0.23 898 89A C14H23N3O7 non-polymer 1.00 1.00 89A 89C C17H15N1O4 non-polymer 0.00 0.00 89C 89D C24F2H26N2O5S1 non-polymer 0.00 0.00 89D 89F C20H24N2S2 non-polymer 0.00 0.00 89F 89G C18H16N2O3 non-polymer 0.00 0.00 89G 89I C23H24N6O1 non-polymer 0.20 0.10 89I 89J C12H13N3O1 non-polymer 0.00 0.00 89J 89L C26H27N1O5 non-polymer 0.62 0.28 89L 89M C35H48N4O3 non-polymer 0.00 0.00 89M 89O C21H20O8 non-polymer 0.00 0.00 89O 89P C29Cl2H22N2O4 non-polymer 0.00 0.00 89P 89R C34F3Fe1H33N4O4 non-polymer 0.00 0.00 89R 89S C31H46N4O3 non-polymer 0.00 0.00 89S 89U C22H16O3 non-polymer 0.00 0.00 89U 89V C5H10O4 non-polymer 0.90 1.00 89V 89X C22H28N4O4 non-polymer 0.00 0.00 89X 89Y C5H8O5 non-polymer 1.00 1.00 89Y 8A0 C25F3H23N4O1 non-polymer 0.00 0.00 8A0 8A1 C4H8O4 non-polymer 1.00 1.00 8A1 8A3 C27F6H25N5O3S1 non-polymer 0.36 0.10 8A3 8A4 C31Cl2H25N5O2 non-polymer 0.00 0.00 8A4 8A6 C32F3H30N5O3S1 non-polymer 0.00 0.00 8A6 8A7 C24H20N2O4S2 non-polymer 0.00 0.00 8A7 8AA C26H25N6O7P1 DNA linking 1.00 0.22 8AA 8AC C8H17N1O2 non-polymer 0.00 0.00 8AC 8AD C20H24N4O1 non-polymer 0.20 0.12 8AD 8AF C23H23N6O6P1 non-polymer 1.00 0.25 8AF 8AG C26H27N6O8P1 DNA linking 1.00 0.22 8AG 8AJ C20Cl1H19N4 non-polymer 0.20 0.12 8AJ 8AM C20F1H28N9O2 non-polymer 0.36 0.12 8AM 8AN C10H15N6O6P1 RNA linking 1.00 0.43 8AN 8AO C31F3H27N4O3S1 non-polymer 0.00 0.00 8AO 8AP C12H13N3 non-polymer 0.00 0.00 8AP 8AR As1H1O4 non-polymer 0.00 0.00 8AR 8AS C7H13N1O3 non-polymer 0.00 0.00 8AS 8AU C24Cl1F3H20N4O1 non-polymer 0.00 0.00 8AU 8AV C8H18N2 non-polymer 0.00 0.00 8AV 8AW C28H35N3O3S1 non-polymer 0.00 0.00 8AW 8AX C21Cl1F2H27N4O1 non-polymer 0.44 0.21 8AX 8AY C13H16N2O2S1 non-polymer 0.00 0.00 8AY 8AZ C9H14N5O8P1 RNA linking 1.00 0.43 8AZ 8B0 C25F3H20N5O1 non-polymer 0.00 0.00 8B0 8B1 C31H47N5O4S1 peptide-like 0.00 0.00 8B1 8B3 C24F4H20N4O1 non-polymer 0.00 0.00 8B3 8B4 C11F1H16N5O9P2 non-polymer 1.00 0.43 8B4 8B6 C11H6O4 non-polymer 0.00 0.00 8B6 8B7 C18H32O15 non-polymer 1.00 1.00 8B7 8B9 C8H15N1O5 D-saccharide 1.00 1.00 8B9 8BA Br1C10H12N5O6P1 DNA linking 1.00 0.39 8BA 8BB C10H16N2O3S1 peptide-like 0.00 0.00 8BB 8BD C11H13N1O4 non-polymer 0.98 0.38 8BD 8BF C31H44O4 non-polymer 0.25 0.06 8BF 8BG C29H39N3O7S1 non-polymer 0.00 0.00 8BG 8BJ C9H16N2O4S1 non-polymer 1.00 0.88 8BJ 8BL C31H42O4 non-polymer 0.25 0.06 8BL 8BM C25H35N9O1 non-polymer 0.36 0.11 8BM 8BO C32H46O4 non-polymer 0.25 0.06 8BO 8BP C19F1H26N9O1 non-polymer 0.36 0.13 8BP 8BQ C19F1H16N3O2 non-polymer 0.00 0.00 8BQ 8BR Br1C10H13N5O7P1 non-polymer 1.00 0.42 8BR 8BS C18F1H24N9O2 non-polymer 0.00 0.00 8BS 8BU C11F1H17N5O12P3 non-polymer 1.00 0.31 8BU 8BV C10H13N1O2 non-polymer 0.58 0.31 8BV 8BX C21Cl1F2H27N4O1 non-polymer 0.44 0.21 8BX 8BY C21H18N2O2 non-polymer 0.58 0.16 8BY 8C0 C36H54O4 non-polymer 0.25 0.05 8C0 8C1 C18H23N3O3 non-polymer 0.58 0.17 8C1 8C3 C18H25N5O2S1 non-polymer 0.00 0.00 8C3 8C5 C27H34N6O3 non-polymer 0.78 0.14 8C5 8C6 C11Cl1H16N5O9P2 non-polymer 1.00 0.36 8C6 8C9 C35H50O4 non-polymer 0.25 0.05 8C9 8CA C20H19N1O2 non-polymer 0.00 0.00 8CA 8CB C17H22O2 non-polymer 0.38 0.16 8CB 8CC C11H11N3O1 non-polymer 0.50 0.27 8CC 8CD C18H21N3O4 non-polymer 0.58 0.16 8CD 8CF C19Cl1H17N2O5 non-polymer 0.00 0.00 8CF 8CG C18F1H20N3O4 non-polymer 1.00 0.38 8CG 8CL C6Cl1H5 non-polymer 0.00 0.00 8CL 8CM C9H6O3 non-polymer 0.00 0.00 8CM 8CO C20Cl1H19N2O5 non-polymer 0.00 0.00 8CO 8CP C9H17N4O12P3 non-polymer 1.00 0.32 8CP 8CR C21Cl1H21N2O5 non-polymer 0.38 0.07 8CR 8CS C10H12N5O7P1 non-polymer 0.00 0.00 8CS 8CT C40H56 non-polymer 0.38 0.20 8CT 8CU Br1C18H15N2O5 non-polymer 0.00 0.00 8CU 8CV C10H15N5 non-polymer 0.00 0.00 8CV 8CX C21F2H28N4O1 non-polymer 0.00 0.00 8CX 8CY C22H15N2O6Ru1S1 non-polymer 0.00 0.00 8CY 8D0 C25H41N1O3 non-polymer 0.38 0.07 8D0 8D1 C18H20N6O1 non-polymer 0.00 0.00 8D1 8D3 Br1C25H37O2 non-polymer 0.38 0.07 8D3 8D4 C9H7N3O2 non-polymer 0.00 0.00 8D4 8D6 C10Cl1H8N3O1 non-polymer 0.00 0.00 8D6 8D7 C17H29N1O2 non-polymer 0.00 0.00 8D7 8DA C10H15N5O4 non-polymer 1.00 0.47 8DA 8DD C10H15N5O10P2 non-polymer 1.00 0.33 8DD 8DG C10H16N5O14P3 non-polymer 1.00 0.28 8DG 8DJ C26F1H26N3O4 non-polymer 0.00 0.00 8DJ 8DM C12H14N2O5 non-polymer 0.68 0.63 8DM 8DP C16H19N5O9P1 non-polymer 1.00 0.32 8DP 8DQ C19H18N2O2 non-polymer 0.00 0.00 8DQ 8DR C17H19N7O5S3 non-polymer 0.55 0.28 8DR 8DT C14H20N3O9P1 DNA linking 1.00 0.33 8DT 8DU C20Cl1H17N2O5 non-polymer 0.00 0.00 8DU 8DV C23H26N4O3S1 non-polymer 0.00 0.00 8DV 8DX C11H17N1O7 non-polymer 0.00 0.00 8DX 8DY C22H25N5O3S1 non-polymer 0.20 0.10 8DY 8DZ C31H44N2O10 non-polymer 0.62 0.28 8DZ 8E1 C16H12N4O3S2 non-polymer 0.00 0.00 8E1 8E3 C15F1H13N4O2 non-polymer 0.00 0.00 8E3 8E4 C16H27N1O3 non-polymer 0.67 0.40 8E4 8E6 C15F1H13N4O1S1 non-polymer 0.00 0.00 8E6 8E7 C12H27N1S1 non-polymer 0.00 0.00 8E7 8E8 C25H26N6O2 non-polymer 0.00 0.00 8E8 8E9 C21H16N2O5S1 non-polymer 0.00 0.00 8E9 8EA C19Cl1H32N1S2 non-polymer 0.00 0.00 8EA 8EC C15F1H13N4O1S1 non-polymer 0.00 0.00 8EC 8EF C12H20N4O7P2S1 non-polymer 0.00 0.00 8EF 8EJ C7H8N2O1 non-polymer 0.00 0.00 8EJ 8EL C12H20N4O7P2S1 non-polymer 0.00 0.00 8EL 8EM C37H31N7O3 non-polymer 0.00 0.00 8EM 8EN C24F3H19N4O2 non-polymer 0.00 0.00 8EN 8EO C12H21N4O7P2S1 non-polymer 0.00 0.00 8EO 8EP C11H17N1O8 non-polymer 1.00 0.80 8EP 8EQ C12Cl1H12N1O5 non-polymer 0.00 0.00 8EQ 8ES C36H29N7O2S1 non-polymer 0.00 0.00 8ES 8ET C15H11N3O1 non-polymer 0.00 0.00 8ET 8EU C9H12N1O5P1 non-polymer 0.00 0.00 8EU 8EV C19H18N4O1 non-polymer 0.00 0.00 8EV 8EW C6H8O4 non-polymer 0.95 1.00 8EW 8EX C8H15N1O12S2 D-saccharide 1.00 0.65 8EX 8EY C20H20N4O1 non-polymer 0.00 0.00 8EY 8EZ C8H14O2 non-polymer 0.00 0.00 8EZ 8F0 C22H27N3O1 non-polymer 0.00 0.00 8F0 8F1 C21H22N4O1 non-polymer 0.00 0.00 8F1 8F2 C22H20N2O5S1 non-polymer 0.00 0.00 8F2 8F3 C22H20N2O5S1 non-polymer 0.00 0.00 8F3 8F4 C6H12N2O1 non-polymer 0.00 0.00 8F4 8F5 C47H62N4O14 non-polymer 0.31 0.06 8F5 8F6 C21H25N3O1 non-polymer 0.00 0.00 8F6 8F7 C21H22N4 non-polymer 0.00 0.00 8F7 8F9 C22H27N3O1 non-polymer 0.00 0.00 8F9 8FB C17H29N3O6S1 non-polymer 0.58 0.37 8FB 8FC C21H25N3O3S1 non-polymer 0.00 0.00 8FC 8FD C22H24N4O1 non-polymer 0.41 0.22 8FD 8FF C33H49N1O3 non-polymer 0.25 0.05 8FF 8FG C25H25N6O8P1 DNA linking 1.00 0.22 8FG 8FH C2Cl3H3O1 non-polymer 0.00 0.00 8FH 8FK C19H18N2O3S1 non-polymer 0.00 0.00 8FK 8FL C12H20N4O8P2S1 non-polymer 0.00 0.00 8FL 8FM C30H40N2O8S1 non-polymer 0.00 0.00 8FM 8FN C22H15N5O2S1 non-polymer 0.00 0.00 8FN 8FP C37H44N4O6S2 non-polymer 0.00 0.00 8FP 8FQ C24F1H27N6O3 non-polymer 0.00 0.00 8FQ 8FR C17Cl1H20N7 non-polymer 0.00 0.00 8FR 8FS C8F2H4 non-polymer 0.00 0.00 8FS 8FT C26F1H31N6O3 non-polymer 0.00 0.00 8FT 8FU C18Cl1H20N7O1 non-polymer 0.00 0.00 8FU 8FV C26H21N5O2 non-polymer 0.00 0.00 8FV 8FW C22H22N6O2 non-polymer 0.00 0.00 8FW 8FX C20Cl1H22N7O1 non-polymer 0.00 0.00 8FX 8FY C21H18N8 non-polymer 0.00 0.00 8FY 8FZ C10H10N2O2 non-polymer 0.00 0.00 8FZ 8G0 C8H6O4 non-polymer 0.00 0.00 8G0 8G1 C26Cl1F1H18N4O4 non-polymer 0.00 0.00 8G1 8G2 C9H12N1O2 non-polymer 0.97 0.33 8G2 8G3 C14H13N7O1 non-polymer 0.00 0.00 8G3 8G4 C28Cl1F1H24N4O6 non-polymer 0.00 0.00 8G4 8G5 C12H16N2O2S1 non-polymer 0.00 0.00 8G5 8G6 C13Cl1H10N3 non-polymer 0.00 0.00 8G6 8G8 C6Cl1H5N4 non-polymer 0.00 0.00 8G8 8GA C6H12O4Se1 D-saccharide 1.00 0.82 8GA 8GB C9Cl2H8O2 non-polymer 0.62 0.23 8GB 8GC C7H9N2O1 non-polymer 0.00 0.00 8GC 8GD C10H15N5O11P2 non-polymer 1.00 0.32 8GD 8GE C14H12N2O2S1 non-polymer 0.00 0.00 8GE 8GF C5H7N3 non-polymer 0.00 0.00 8GF 8GG C6H12O4Se1 D-saccharide 1.00 0.82 8GG 8GH C16H15N3O2S1 non-polymer 0.00 0.00 8GH 8GJ C18F1H21N2O6S1 non-polymer 0.46 0.32 8GJ 8GK C11H9N1O2 non-polymer 0.00 0.00 8GK 8GL C5H9N1O5 non-polymer 0.88 1.00 8GL 8GM C10H14N5O9P1 non-polymer 1.00 0.40 8GM 8GN C24H29N9O1 non-polymer 0.20 0.09 8GN 8GP C11H18N2O7 non-polymer 1.00 0.85 8GP 8GQ C25H25N7O4 non-polymer 0.00 0.00 8GQ 8GR C23H23N3O3 non-polymer 0.21 0.31 8GR 8GS C18H17N5O1 non-polymer 0.36 0.17 8GS 8GT C10H16N5O15P3 non-polymer 1.00 0.30 8GT 8GU C22H22N4O3 non-polymer 0.21 0.31 8GU 8GV C24H28N6O3 non-polymer 0.36 0.12 8GV 8GX C22H22N4O3 non-polymer 0.21 0.31 8GX 8GY C21H23N5O3 non-polymer 0.58 0.31 8GY 8H0 C23H26N6O1 non-polymer 0.00 0.00 8H0 8H1 C28H27N5O3 non-polymer 0.00 0.00 8H1 8H4 C7H7N3 non-polymer 0.00 0.00 8H4 8H6 C17H30N2O6S1 non-polymer 0.65 0.38 8H6 8H8 C7F1H4N1O1 non-polymer 0.00 0.00 8H8 8HB C24H40N7O18P3S1 non-polymer 1.00 0.53 8HB 8HC C10H7N1O3 non-polymer 0.00 0.00 8HC 8HD C35H42N4O7S1 non-polymer 0.50 0.09 8HD 8HE C13H10N2O2S1 non-polymer 0.00 0.00 8HE 8HF C28Cl1H32N3O4 non-polymer 0.58 0.31 8HF 8HG C10H13N5O5 non-polymer 1.00 0.45 8HG 8HH C13H13N5 non-polymer 0.00 0.00 8HH 8HI C33F1H36N3O7S1 non-polymer 0.36 0.09 8HI 8HJ C9H9N1O2 non-polymer 0.00 0.00 8HJ 8HK C11H10N2O2S1 non-polymer 0.00 0.00 8HK 8HM C24H27N5O3S1 non-polymer 0.00 0.00 8HM 8HN C22H21N7O3 non-polymer 0.00 0.00 8HN 8HP C18Cl1H15N4O1S1 non-polymer 0.00 0.00 8HP 8HQ C10H7N1O3 non-polymer 0.00 0.00 8HQ 8HR C24Cl1H24N3O3 non-polymer 0.58 0.13 8HR 8HS C7H14N1O8P1 non-polymer 0.00 0.00 8HS 8HT C26F1H26N5O1 non-polymer 0.00 0.00 8HT 8HV C24F1H26N3O3 non-polymer 0.61 0.23 8HV 8HW C27F2H25N1O6 non-polymer 0.00 0.00 8HW 8HX C5H4N4O3 non-polymer 0.00 0.00 8HX 8HY C25H23N3O2 non-polymer 0.00 0.00 8HY 8HZ C21H19N3O1 non-polymer 0.00 0.00 8HZ 8I1 C28H27N5O3 non-polymer 0.00 0.00 8I1 8ID C21H27I1N7O14P2 non-polymer 1.00 0.51 8ID 8IG C5H4I1N5O1 non-polymer 0.00 0.00 8IG 8IN C21H25N2O5P1 non-polymer 0.00 0.00 8IN 8IP C17H16N4 non-polymer 0.00 0.00 8IP 8IR C25Cl1H19N4O3 non-polymer 0.00 0.00 8IR 8J0 C35H50O3 non-polymer 0.38 0.24 8J0 8J1 C19H21N3O1 non-polymer 0.00 0.00 8J1 8J2 C24H29N3O4 non-polymer 0.58 0.13 8J2 8J3 C35H50O3 non-polymer 0.38 0.24 8J3 8J4 C20H23N3O1 non-polymer 0.00 0.00 8J4 8J6 C24H29N3S1 non-polymer 0.00 0.00 8J6 8J7 C20H23N3 non-polymer 0.00 0.00 8J7 8J8 C27H32N2O4 non-polymer 0.00 0.00 8J8 8JB C8H13N3O5S1 L-peptide linking 0.00 0.00 8JB 8JC C27F3H28N7O3 non-polymer 0.38 0.12 8JC 8JD C23H39N7O13P2S1 non-polymer 1.00 0.50 8JD 8JE C29F1H24N3O4 non-polymer 0.00 0.00 8JE 8JG C20H32O4 non-polymer 0.00 0.00 8JG 8JH C19H33N4O5P1 non-polymer 0.00 0.00 8JH 8JJ C30H44N5O10P1 non-polymer 1.00 0.39 8JJ 8JL C18F1H14N1O5S1 non-polymer 0.00 0.00 8JL 8JM C20H18N4O1 non-polymer 0.00 0.00 8JM 8JN C21H28N4O3 non-polymer 0.75 0.11 8JN 8JO C18F1H14N1O5S1 non-polymer 0.00 0.00 8JO 8JP C20H20N4O2 non-polymer 0.50 0.15 8JP 8JQ C17H29N4O5P1 non-polymer 0.00 0.00 8JQ 8JR C18F1H14N1O5S1 non-polymer 0.00 0.00 8JR 8JS C13F1H12N3O2S2 non-polymer 0.00 0.00 8JS 8JT C13H18N1O2 non-polymer 0.00 0.00 8JT 8JU FE4O1S4 non-polymer 0.00 0.00 8JU 8JW C6F3H5N2O1 non-polymer 0.00 0.00 8JW 8JX C16H19N1O5S1 non-polymer 0.00 0.00 8JX 8JZ C6H12O2 non-polymer 0.65 0.88 8JZ 8K0 Br1C15H16N1O4S1 non-polymer 0.00 0.00 8K0 8K1 C30H42N5O10P1 non-polymer 1.00 0.39 8K1 8K2 C4Cl1H4N1O2S2 non-polymer 0.00 0.00 8K2 8K4 C22F1H28N1O2 non-polymer 0.00 0.00 8K4 8K5 C8Cl1H10N2S1 non-polymer 0.00 0.00 8K5 8K6 C18H38 non-polymer 0.00 0.00 8K6 8K7 C22F1H28N1O3 non-polymer 0.00 0.00 8K7 8K8 C21H30N4O3 non-polymer 0.00 0.00 8K8 8K9 C30H44N2O3 non-polymer 0.38 0.14 8K9 8KA C27F1H30N1O3 non-polymer 0.00 0.00 8KA 8KB C5H11N1O2 non-polymer 0.00 0.00 8KB 8KD C22H29N1O3 non-polymer 0.00 0.00 8KD 8KG C21H27N1O3 non-polymer 0.00 0.00 8KG 8KK C18H31N4O5P1 non-polymer 0.00 0.00 8KK 8KL C31H28N2O4 non-polymer 0.00 0.00 8KL 8KM C18H18N2O2S1 non-polymer 0.00 0.00 8KM 8KN C20H33N4O7P1 non-polymer 0.42 0.72 8KN 8KO C16H25N3O4 non-polymer 0.33 0.39 8KO 8KP C18H20N2O2S1 non-polymer 0.00 0.00 8KP 8KR C14H21N3O3 non-polymer 0.00 0.00 8KR 8KS C28H22O4 non-polymer 0.00 0.00 8KS 8KU C26Cl1H25N4O5S1 non-polymer 1.00 0.38 8KU 8KV C19H19N3O3 non-polymer 0.00 0.00 8KV 8KW C15H16O3 non-polymer 0.00 0.00 8KW 8KX C21F3H12N1O6S1 non-polymer 0.00 0.00 8KX 8KY C21Cl1H23N2O4 non-polymer 0.38 0.14 8KY 8L0 C14Cl1H20N3O3 non-polymer 0.00 0.00 8L0 8L1 C22Cl1F3H20N4O2S1 non-polymer 0.38 0.12 8L1 8L2 C18H29N4O7P1 non-polymer 0.40 0.77 8L2 8L3 C18Cl2H20N2O1 non-polymer 0.00 0.00 8L3 8L4 C17Cl1H19N4O2 non-polymer 0.38 0.08 8L4 8L5 C16H27N4O5P1 non-polymer 0.00 0.00 8L5 8L7 C24Cl1H30N3O5 non-polymer 1.00 0.58 8L7 8L8 C21H24O5 non-polymer 1.00 0.50 8L8 8L9 Br1C20Cl2F1H14N2O6S2 non-polymer 0.00 0.00 8L9 8LA C24Cl1H29N2O6 non-polymer 1.00 0.58 8LA 8LB C21H35N4O7P1 non-polymer 0.42 0.70 8LB 8LC C22H28N2O6 non-polymer 0.00 0.00 8LC 8LD C4H2O3 non-polymer 0.00 0.00 8LD 8LE C14H20N5O9P1 non-polymer 1.00 0.62 8LE 8LF C21H15N1O6S1 non-polymer 0.00 0.00 8LF 8LG C5H5N1O2 non-polymer 0.00 0.00 8LG 8LH C14H20N5O9P1 non-polymer 1.00 0.62 8LH 8LI C9H11N1O4S1 non-polymer 1.00 0.73 8LI 8LJ C5H7N1O2 L-peptide linking 0.00 0.00 8LJ 8LL C22H34N2O4S1 non-polymer 0.70 0.34 8LL 8LM C21H26N4O8 non-polymer 1.00 0.70 8LM 8LN C20Cl1H21N8 non-polymer 0.00 0.00 8LN 8LO C17H27N3O3 non-polymer 0.00 0.00 8LO 8LP C27H23N3O3 non-polymer 0.00 0.00 8LP 8LQ C14H20N5O9P1 non-polymer 1.00 0.62 8LQ 8LR C8H16O7 non-polymer 1.00 0.80 8LR 8LS C29F1H25N4O3 non-polymer 0.00 0.00 8LS 8LU C28Cl1F2H31N6O4 non-polymer 0.00 0.00 8LU 8LV C23H24N4O4S1 non-polymer 0.00 0.00 8LV 8LW C22H17N3O3 non-polymer 0.00 0.00 8LW 8LX C24H24N4O5S1 non-polymer 0.50 0.15 8LX 8LY C23Cl1F1H22N6 non-polymer 0.00 0.00 8LY 8LZ C12H16N1O2 non-polymer 0.00 0.00 8LZ 8M0 H8O28 non-polymer 0.00 0.00 8M0 8M1 C26H28N6O1 non-polymer 0.00 0.00 8M1 8M2 C5H7N2S1 non-polymer 0.00 0.00 8M2 8M4 C27H29N3O4 non-polymer 0.00 0.00 8M4 8M5 C16H14N2O1 non-polymer 0.00 0.00 8M5 8M7 C19H27N3O7 non-polymer 1.00 0.66 8M7 8M8 C9H8N4S1 non-polymer 0.00 0.00 8M8 8M9 C14Cl1H15N6O1 non-polymer 0.00 0.00 8M9 8MA C26F1H26N3O3 non-polymer 0.00 0.00 8MA 8MB C10H10O2 non-polymer 0.58 0.42 8MB 8MC C12H10O5 non-polymer 0.00 0.00 8MC 8MD C8H14O2 non-polymer 0.40 0.50 8MD 8ME C18H18N4O2 non-polymer 0.00 0.00 8ME 8MF Br1C13Cl1H9N5O2 non-polymer 0.00 0.00 8MF 8MG C11H16N5O7P1 DNA linking 1.00 0.38 8MG 8MK C10H10O2 non-polymer 0.62 0.25 8MK 8ML C18H33N4O16P3S1 non-polymer 1.00 0.33 8ML 8MM C21H41N5O8 non-polymer 1.00 0.62 8MM 8MN C8Cl1H9N2O1S1 non-polymer 0.00 0.00 8MN 8MO C12H8O4 non-polymer 0.00 0.00 8MO 8MP C10H20N2O4 non-polymer 0.00 0.00 8MP 8MQ C17H22N2O1 non-polymer 0.43 0.25 8MQ 8MR C11F2H12O5S1 non-polymer 0.00 0.00 8MR 8MT Br2C5H4N2O1S1 non-polymer 0.00 0.00 8MT 8MV C8H8O4 non-polymer 0.60 0.67 8MV 8MW C12H12N2O2S1 non-polymer 0.00 0.00 8MW 8MX C21F1H24N3O3 non-polymer 0.00 0.00 8MX 8MY C15H13N7O1 non-polymer 1.00 0.39 8MY 8MZ C10H8N4O1S1 non-polymer 0.00 0.00 8MZ 8N1 C24Cl1H30N3O5 non-polymer 1.00 0.58 8N1 8N2 C11H12O4 non-polymer 0.58 0.33 8N2 8N3 C15H23N3O3 non-polymer 0.00 0.00 8N3 8N4 C27F3H26N3O4 non-polymer 0.00 0.00 8N4 8N5 C10H8N2O1S1 non-polymer 0.00 0.00 8N5 8N6 C19H20N2O3S1 non-polymer 0.00 0.00 8N6 8N7 C25H30N6O3 non-polymer 0.00 0.00 8N7 8N8 Br2C5H2O2S1 non-polymer 0.00 0.00 8N8 8N9 C14H22N4O9P2S1 non-polymer 1.00 0.13 8N9 8NA C21H27N7O14P2 non-polymer 1.00 0.52 8NA 8NB C9Cl1H10N1O2 non-polymer 0.00 0.00 8NB 8NC C25F2H24N4O6S1 non-polymer 0.00 0.00 8NC 8ND C37H73N1O5 non-polymer 0.98 0.40 8ND 8NE C8F3H8N2 non-polymer 0.00 0.00 8NE 8NG C22F2H19N3O4S1 non-polymer 0.00 0.00 8NG 8NH C14Cl1H12N3O3 non-polymer 1.00 0.48 8NH 8NJ C20H16N2O2 non-polymer 0.00 0.00 8NJ 8NK C11H18N5O11P2 non-polymer 1.00 0.34 8NK 8NL C23Cl1F3H22O2 non-polymer 0.28 0.34 8NL 8NM C21H19N3O4S1 non-polymer 0.00 0.00 8NM 8NN C21Cl1H16N3O4 non-polymer 0.45 0.31 8NN 8NO C21H20N2O2 non-polymer 0.00 0.00 8NO 8NP C18H15N1O2 non-polymer 0.00 0.00 8NP 8NQ Br1C21H19N6O3 non-polymer 0.00 0.00 8NQ 8NR C21H25N3O3 non-polymer 0.00 0.00 8NR 8NS C21H23N3O3S1 non-polymer 0.00 0.00 8NS 8NT C11H21N1O4S3 non-polymer 0.00 0.00 8NT 8NV C22H25N3O3S1 non-polymer 0.00 0.00 8NV 8NW C11H21N1O2S2 non-polymer 0.00 0.00 8NW 8NX C5H3N5O4 non-polymer 0.00 0.00 8NX 8NY C7H5I1N2 non-polymer 0.00 0.00 8NY 8NZ Br1C9H6N1O2 non-polymer 0.00 0.00 8NZ 8O0 C21Cl1H23N2 non-polymer 0.33 0.25 8O0 8O1 C20H23N3O3S1 non-polymer 0.00 0.00 8O1 8O3 C14F3H16N3O2 non-polymer 0.00 0.00 8O3 8O4 C21H23N3O3S1 non-polymer 0.00 0.00 8O4 8O5 C30H36N4O5 non-polymer 0.39 0.44 8O5 8O7 C22H24N4O3S2 non-polymer 0.00 0.00 8O7 8O8 C22H23N3O1 non-polymer 0.50 0.15 8O8 8OA C25H28N4O4S1 non-polymer 0.47 0.32 8OA 8OB C11Cl2H7N1O2 non-polymer 0.00 0.00 8OB 8OD C10H15N5O11P2 non-polymer 1.00 0.36 8OD 8OE C11Cl2H8N2O1 non-polymer 0.00 0.00 8OE 8OF C16H14N2O1 non-polymer 0.00 0.00 8OF 8OG C10H14N5O8P1 DNA linking 1.00 0.38 8OG 8OH C19H16N4S1 non-polymer 0.00 0.00 8OH 8OJ C25H28N4O4S1 non-polymer 0.47 0.32 8OJ 8OK C26H27N5O1 non-polymer 0.00 0.00 8OK 8OL C19F3H26N3O3 non-polymer 0.56 0.18 8OL 8OM C25H27N3O5S2 non-polymer 0.59 0.23 8OM 8ON C28H30N6O1 non-polymer 0.00 0.00 8ON 8OP C10H14N5O8P1 non-polymer 1.00 0.42 8OP 8OQ C6H10O6 non-polymer 1.00 1.00 8OQ 8OR C20H24N6O3S1 non-polymer 0.00 0.00 8OR 8OS C14H18N7O7P1 RNA linking 1.00 0.34 8OS 8OT C20H18N4S1 non-polymer 0.00 0.00 8OT 8OU C20H21N7O2 non-polymer 0.00 0.00 8OU 8OV C27F3H30N7O3 non-polymer 0.00 0.00 8OV 8OW C21F1H17N4 non-polymer 0.00 0.00 8OW 8OX C10H13N5O5 non-polymer 1.00 0.50 8OX 8OY C26H27N3O3 non-polymer 0.00 0.00 8OY 8OZ C9H8O2 non-polymer 0.93 0.45 8OZ 8P0 C16H10 non-polymer 0.00 0.00 8P0 8P1 C10H11N1O1 non-polymer 0.00 0.00 8P1 8P2 C7H11N2O4 non-polymer 1.00 0.92 8P2 8P3 C16H13N1O3 non-polymer 0.00 0.00 8P3 8P4 C7F1H7N2S1 non-polymer 0.00 0.00 8P4 8P5 C13H23N4O5 non-polymer 1.00 0.59 8P5 8P6 C21H24N2 non-polymer 0.38 0.26 8P6 8P7 C8H8N2 non-polymer 0.00 0.00 8P7 8P8 C1Fe7S8V1 non-polymer 0.00 0.00 8P8 8P9 C16Cl1H15N2O5S1 non-polymer 0.00 0.00 8P9 8PA C20H26N5O8P2S1 non-polymer 0.38 0.14 8PA 8PC C18Cl2H13N1O2 non-polymer 0.00 0.00 8PC 8PE C37H74N1O8P1 non-polymer 0.98 0.40 8PE 8PF C8F15H1O2 non-polymer 0.93 0.16 8PF 8PG C20H32O4 non-polymer 0.46 0.29 8PG 8PH C15H30N2O7P2 non-polymer 0.00 0.00 8PH 8PJ C5H4N2O3 non-polymer 0.00 0.00 8PJ 8PK C9H18O6 non-polymer 1.00 0.73 8PK 8PL C12F1H14N1O3S1 non-polymer 0.00 0.00 8PL 8PM C17H27N5O3S2 non-polymer 0.20 0.11 8PM 8PO C12H15N1O4S1 non-polymer 0.00 0.00 8PO 8PP C46H70O1 non-polymer 0.38 0.81 8PP 8PQ Br1C5H7N2 non-polymer 0.00 0.00 8PQ 8PR C19F1H20N1O3 non-polymer 0.00 0.00 8PR 8PS C20H26O2 non-polymer 0.00 0.00 8PS 8PT C22H29N7O1 non-polymer 0.00 0.00 8PT 8PU Br1C15H13N2O5S1 non-polymer 0.00 0.00 8PU 8PV C22H20N6O1 non-polymer 0.00 0.00 8PV 8PW C23F6H25N3O5S1 non-polymer 0.00 0.00 8PW 8PX Br1C16H15N2O5S1 non-polymer 0.00 0.00 8PX 8PY C28H25N6O8P1 DNA linking 1.00 0.21 8PY 8PZ C19H23N7O7S1 non-polymer 1.00 0.29 8PZ 8Q1 C23H45N2O8P1S1 non-polymer 0.62 0.29 8Q1 8Q2 C22H25N7O8S1 non-polymer 1.00 0.34 8Q2 8Q3 Br1C16H15N2O4S1 non-polymer 0.00 0.00 8Q3 8Q4 C20Cl1H21N2O4 non-polymer 0.38 0.15 8Q4 8Q5 C20H23N5O1 non-polymer 0.00 0.00 8Q5 8Q6 C20H21N1O6 non-polymer 0.97 0.41 8Q6 8Q7 C22F2H19N5O3S1 non-polymer 0.00 0.00 8Q7 8Q8 C27H31N5O3 non-polymer 0.38 0.26 8Q8 8Q9 Br1C23H27N4O7S1 non-polymer 0.00 0.00 8Q9 8QB C16H19N5O2 non-polymer 0.00 0.00 8QB 8QC Br1C16H16N3O4S1 non-polymer 0.00 0.00 8QC 8QD C24H33N1O1 non-polymer 0.00 0.00 8QD 8QE C17H20N6O1 non-polymer 1.00 0.62 8QE 8QF C28H50O12S3 non-polymer 1.00 0.44 8QF 8QG C7Cl1H5N2S1 non-polymer 0.00 0.00 8QG 8QH C20Cl2H15N1O3 non-polymer 0.00 0.00 8QH 8QJ C9H16N3O3S1 non-polymer 0.50 0.50 8QJ 8QK C20Cl2H13N1O4 non-polymer 0.00 0.00 8QK 8QL C19H30O2 non-polymer 0.00 0.00 8QL 8QM C10H10O2 non-polymer 0.00 0.00 8QM 8QN C14H21N6O9P1 non-polymer 1.00 0.63 8QN 8QO C11H14N2O2 non-polymer 0.00 0.00 8QO 8QP C17H21N1O3 non-polymer 0.00 0.00 8QP 8QQ C29F3H31N6O3 non-polymer 0.00 0.00 8QQ 8QS C17H21N1O3 non-polymer 0.00 0.00 8QS 8QT C19H27N7O1 non-polymer 0.36 0.15 8QT 8QV C27H22N4O3 non-polymer 0.38 0.06 8QV 8QW C29F1H26N5O4S1 non-polymer 0.00 0.00 8QW 8QZ C39H53N9O7 non-polymer 0.88 0.31 8QZ 8R0 C17H16N2O2 non-polymer 0.00 0.00 8R0 8R2 C18H17N5O3 non-polymer 0.00 0.00 8R2 8R3 C24Cl1H28N5O5 non-polymer 0.00 0.00 8R3 8R4 C25H21N1O3 non-polymer 0.00 0.00 8R4 8R5 C17Cl1H15N2O4 non-polymer 0.00 0.00 8R5 8R6 C22H25N5O9 non-polymer 0.87 0.42 8R6 8R7 C22H21N1O3 non-polymer 0.00 0.00 8R7 8R8 C17Cl1H15N2O5 non-polymer 0.00 0.00 8R8 8RA C11H15N3O1 non-polymer 0.00 0.00 8RA 8RB C17Cl1H16N3O4 non-polymer 0.00 0.00 8RB 8RC C30H42N8O3 non-polymer 1.00 0.44 8RC 8RD C26F1H30N7O3 non-polymer 0.00 0.00 8RD 8RE C6H14N2O4 L-peptide linking 0.83 0.92 8RE 8RH C27F5H24N5O3 non-polymer 0.00 0.00 8RH 8RJ C8H13N2O7P1 RNA linking 1.00 0.50 8RJ 8RK C11Cl1H10N1O4 non-polymer 0.00 0.00 8RK 8RM C11H10N2O1 non-polymer 0.50 0.29 8RM 8RN Br1C22H24N3O3S1 non-polymer 0.00 0.00 8RN 8RO C10H15N2O6P1S1 DNA linking 1.00 0.45 8RO 8RP C13H17N1O3 non-polymer 0.00 0.00 8RP 8RQ C33Cl1H46N3O5S2 non-polymer 0.75 0.20 8RQ 8RR C21F3H18N1O3S1Se1 non-polymer 0.00 0.00 8RR 8RS C12H16N2O1 non-polymer 0.00 0.00 8RS 8RT C22F3H21N4O3 non-polymer 0.00 0.00 8RT 8RV C14H20N2O1 non-polymer 0.00 0.00 8RV 8RW C22F3H20N5O4 non-polymer 0.00 0.00 8RW 8RY C6H7N3O1 non-polymer 0.50 0.40 8RY 8RZ C23F3H20N5O4 non-polymer 0.00 0.00 8RZ 8S0 C6H10O6 non-polymer 1.00 1.00 8S0 8S1 C10Cl1H7N4 non-polymer 0.00 0.00 8S1 8S2 C22F3H21N6O4 non-polymer 0.00 0.00 8S2 8S3 C18Cl2H14N2O3 non-polymer 0.00 0.00 8S3 8S4 C9H10N4O1 non-polymer 0.00 0.00 8S4 8S5 C22F4H19N5O4 non-polymer 0.00 0.00 8S5 8S7 C8H10N2O2 non-polymer 0.00 0.00 8S7 8S8 C34Cl1H40N5O7 non-polymer 0.00 0.00 8S8 8S9 C22Cl2H13N1O3 non-polymer 0.00 0.00 8S9 8SA C9H10N2O1S1 non-polymer 0.00 0.00 8SA 8SB C35Cl1H40N5O7 non-polymer 0.00 0.00 8SB 8SD C8H7N1O2 non-polymer 0.00 0.00 8SD 8SE C35Cl1H40N5O7 non-polymer 0.00 0.00 8SE 8SF C10H12N4S1 non-polymer 0.00 0.00 8SF 8SG C9H8N2O3 non-polymer 0.00 0.00 8SG 8SH C15H25O3P1S1 non-polymer 0.62 0.35 8SH 8SJ C8H9N3O2S1 non-polymer 0.00 0.00 8SJ 8SK C20H12O1 non-polymer 0.00 0.00 8SK 8SL C21H25N3O1S1 non-polymer 0.00 0.00 8SL 8SM C13H12N4 non-polymer 0.00 0.00 8SM 8SN C13H18N2O3 non-polymer 0.00 0.00 8SN 8SO C21H30N2O4S2 non-polymer 0.00 0.00 8SO 8SP C22H42N1O10P1 L-peptide linking 0.98 0.65 8SP 8SQ C13H13N1O2 non-polymer 0.00 0.00 8SQ 8SR C16F3H17N4O2S1 non-polymer 0.00 0.00 8SR 8SS Br1C9H8N3 non-polymer 0.00 0.00 8SS 8ST C19Cl1H16N3O1 non-polymer 0.00 0.00 8ST 8SU C20H30O4 non-polymer 0.46 0.54 8SU 8SV C10H12N4O3 non-polymer 0.00 0.00 8SV 8SW C32H32N6O12 non-polymer 0.36 0.50 8SW 8SX C26H36O7 non-polymer 0.29 0.24 8SX 8SY C10H12N2O1 non-polymer 0.00 0.00 8SY 8SZ C6H15N3O2 non-polymer 0.00 0.00 8SZ 8T0 C26H34O7 non-polymer 0.29 0.24 8T0 8T1 C10H10N2O1 non-polymer 0.00 0.00 8T1 8T2 C31H36N4O10 non-polymer 0.00 0.00 8T2 8T3 C19Cl1F1H18N4O1 non-polymer 0.00 0.00 8T3 8T4 C14H13N3 non-polymer 0.00 0.00 8T4 8T5 C36Cl1H42N5O7 non-polymer 0.00 0.00 8T5 8T7 C11F3H10N3 non-polymer 0.00 0.00 8T7 8T8 Br1C20F3H18N2O1 non-polymer 0.00 0.00 8T8 8T9 C26H32O7 non-polymer 0.29 0.24 8T9 8TA C12H10N4 non-polymer 0.00 0.00 8TA 8TB C36Cl1H42N5O7 non-polymer 0.00 0.00 8TB 8TC C26H38O6 non-polymer 0.29 0.25 8TC 8TD C9H11N3O1 non-polymer 0.00 0.00 8TD 8TE C32H36O16P4 non-polymer 0.00 0.00 8TE 8TG Br1C10H7N2O3 non-polymer 0.00 0.00 8TG 8TH C30Cl1H35Ir1N3O4S2 non-polymer 0.00 0.00 8TH 8TJ C9H8N2O1S1 non-polymer 0.50 0.31 8TJ 8TK C21H18N6O1S1 non-polymer 0.00 0.00 8TK 8TL C20H35N3O5S1 non-polymer 0.58 0.14 8TL 8TM C15F3H10N3S1 non-polymer 0.00 0.00 8TM 8TN C24H25N7O1S1 non-polymer 0.20 0.09 8TN 8TO C33H50N4O8 non-polymer 0.20 0.07 8TO 8TP C10H14N2O1 non-polymer 0.00 0.00 8TP 8TQ C12H16N2O2 non-polymer 0.00 0.00 8TQ 8TR Cl1H1O1 non-polymer 0.00 0.00 8TR 8TS C12H14N4O1 non-polymer 0.00 0.00 8TS 8TU C16H32O6 non-polymer 0.00 0.00 8TU 8TV C11H15N3O1 non-polymer 0.00 0.00 8TV 8TW C7Cl2H8O4S1 non-polymer 0.00 0.00 8TW 8TX C5H4N4O2S1 non-polymer 0.00 0.00 8TX 8TY C7H14N2O3S1 non-polymer 0.00 0.00 8TY 8TZ C13F1H15N2O1 non-polymer 0.00 0.00 8TZ 8U0 C24H20N2O4S1 non-polymer 0.00 0.00 8U0 8U1 C10H13N1O2 non-polymer 0.00 0.00 8U1 8U3 C7F2H7N1O2S1 non-polymer 0.00 0.00 8U3 8U4 C9Cl1H10N1O1 non-polymer 0.00 0.00 8U4 8U6 C25H19N3O4S1 non-polymer 0.00 0.00 8U6 8U7 C14H21N3O1 non-polymer 0.00 0.00 8U7 8U8 C16H16O9 non-polymer 1.00 0.52 8U8 8U9 C21Cl1F3H12N2O5S1 non-polymer 0.00 0.00 8U9 8UA C8H10N2O1 non-polymer 0.00 0.00 8UA 8UB C14H10N2O1S1 non-polymer 0.19 0.22 8UB 8UC C23F1H20N5O1 non-polymer 0.00 0.00 8UC 8UD C7H9N3O1 non-polymer 0.50 0.36 8UD 8UF C25F1H28N5O3 non-polymer 0.00 0.00 8UF 8UG C10H14N2O2 non-polymer 0.58 0.57 8UG 8UJ C11H20N2O3S1 non-polymer 0.00 0.00 8UJ 8UL C23F1H26N5O3 non-polymer 0.00 0.00 8UL 8UM C21F1H20N3O4S2 non-polymer 0.00 0.00 8UM 8UN Br1C30H27N4O3 non-polymer 0.00 0.00 8UN 8UO C24F1H28N5O3 non-polymer 0.00 0.00 8UO 8UP Br1C15H17N2O2 non-polymer 0.00 0.00 8UP 8UR C25F3H28N5O3 non-polymer 0.00 0.00 8UR 8US C17F1H16N3O4S2 non-polymer 0.00 0.00 8US 8UU C26F3H30N5O3 non-polymer 0.00 0.00 8UU 8UV C17H16N4O2S1 non-polymer 0.00 0.00 8UV 8UX C13H20N4O6 non-polymer 0.64 0.83 8UX 8UY C13H8N4 non-polymer 0.00 0.00 8UY 8UZ C18H37N5O10 non-polymer 1.00 1.00 8UZ 8V0 C9H14N4O3 non-polymer 0.00 0.00 8V0 8V1 C24H25N5O2 non-polymer 0.00 0.00 8V1 8V2 C36Cl1H42N5O7 non-polymer 0.56 0.14 8V2 8V3 C10H16N4O3 non-polymer 0.00 0.00 8V3 8V4 C10H11N3O2 non-polymer 0.00 0.00 8V4 8V5 C12H13N3O5S2 non-polymer 0.00 0.00 8V5 8V6 C25H30O4 non-polymer 0.95 0.34 8V6 8V7 C14H14N6O1S1 non-polymer 0.36 0.18 8V7 8V8 C10H10N2O3S1 non-polymer 0.00 0.00 8V8 8V9 C37H44N4O7S2 non-polymer 0.00 0.00 8V9 8VB C22H16I1N1O6S1 non-polymer 0.65 0.29 8VB 8VC C40H53N5O6S1 non-polymer 0.47 0.25 8VC 8VE C8H11N3O4 non-polymer 0.00 0.00 8VE 8VF C39H51N5O6S1 non-polymer 0.47 0.25 8VF 8VH C8H10 non-polymer 0.00 0.00 8VH 8VI C24H31N5O3 non-polymer 0.50 0.16 8VI 8VJ C19H21N3O1 non-polymer 0.20 0.13 8VJ 8VK C39Cl1H48N5O7 non-polymer 0.55 0.15 8VK 8VL Br1C24H21N2O3 non-polymer 0.00 0.00 8VL 8VM C25H35N5O3S1 non-polymer 0.67 0.15 8VM 8VN C7H8N2O5 non-polymer 0.00 0.00 8VN 8VO C37H45N5O6S2 non-polymer 0.00 0.00 8VO 8VQ C24H36N2O12 non-polymer 1.00 0.76 8VQ 8VR C9H14O8 non-polymer 1.00 1.00 8VR 8VS Br1C34H39N4O4 non-polymer 0.00 0.00 8VS 8VT C30H40N2O13 non-polymer 1.00 0.73 8VT 8VU C19F3H26N3O3 non-polymer 0.56 0.18 8VU 8VV C12H21N4O5S1 non-polymer 0.50 0.36 8VV 8VW C22H32N2O12 non-polymer 1.00 0.92 8VW 8VX C24Cl1H30N5O5S1 non-polymer 0.00 0.00 8VX 8VY Br2C8H8 non-polymer 0.00 0.00 8VY 8VZ C16H28N2O11 non-polymer 1.00 1.00 8VZ 8W0 C24H32N4O3 non-polymer 0.58 0.13 8W0 8W2 C20Cl2H19N5O1 non-polymer 0.00 0.00 8W2 8W3 C30Cl1H32N5O6 non-polymer 0.00 0.00 8W3 8W4 C36H43N5O5S1 non-polymer 0.00 0.00 8W4 8W5 C25H34O6 non-polymer 0.50 0.26 8W5 8W6 C26Cl1H31N4O6 non-polymer 0.00 0.00 8W6 8W7 C25H27N3O5 non-polymer 1.00 0.27 8W7 8W8 C25F4H21N3O3 non-polymer 0.00 0.00 8W8 8W9 C10H13N3O1 non-polymer 0.00 0.00 8W9 8WA C18Cl3H19N6 non-polymer 0.00 0.00 8WA 8WB C17H18O5 non-polymer 0.00 0.00 8WB 8WC C25H25N3O1 non-polymer 0.00 0.00 8WC 8WD C20H30N4O4S1 non-polymer 0.00 0.00 8WD 8WE C29H45N1O6 non-polymer 0.76 0.25 8WE 8WF C21H31N1O2 non-polymer 0.00 0.00 8WF 8WG C20Cl1H22N7O1 non-polymer 0.00 0.00 8WG 8WH C23H21N5O4 non-polymer 0.00 0.00 8WH 8WJ C22H29N3O4S2 non-polymer 0.00 0.00 8WJ 8WK C24F4H23N7O3 non-polymer 0.00 0.00 8WK 8WM C21F1H23N4O4S2 non-polymer 0.00 0.00 8WM 8WN C27H30N6O5S1 non-polymer 0.00 0.00 8WN 8WO C8H12N2O2 non-polymer 0.00 0.00 8WO 8WQ C7H9N1O6 non-polymer 1.00 1.00 8WQ 8WR C26H24N4O3 non-polymer 0.38 0.06 8WR 8WS C11H21N3O3 non-polymer 0.47 0.65 8WS 8WT C6H7N5S1 non-polymer 0.00 0.00 8WT 8WU C22H22O5 non-polymer 0.20 0.19 8WU 8WV C10Cl2H10Os1 non-polymer 0.00 0.00 8WV 8WW C13H13N5S1 non-polymer 0.00 0.00 8WW 8WX C17H15N3O1 non-polymer 0.00 0.00 8WX 8WY C6H13N1O4 L-peptide linking 0.00 0.00 8WY 8WZ C12H10N2O2 non-polymer 0.00 0.00 8WZ 8X0 C22H22O4 non-polymer 0.25 0.08 8X0 8X1 C14H19N7O7S1 non-polymer 1.00 0.34 8X1 8X2 C22H25N7O1 non-polymer 0.00 0.00 8X2 8X3 C2H6O4S1 non-polymer 0.00 0.00 8X3 8X5 C23H25N5O2 non-polymer 0.00 0.00 8X5 8X7 C27H32N8O2 non-polymer 0.45 0.30 8X7 8X8 C20H29N3O5 non-polymer 0.56 0.57 8X8 8XA C10H14N5O7P1 non-polymer 1.00 0.43 8XA 8XB C20H25N7O2 non-polymer 0.50 0.17 8XB 8XC C9H14N3O8P1 non-polymer 1.00 0.48 8XC 8XE C18H21N7O2 non-polymer 0.50 0.19 8XE 8XG C10H14N5O8P1 non-polymer 1.00 0.42 8XG 8XH C19H25N5O3 non-polymer 0.50 0.19 8XH 8XJ C31F2H24N4O3 non-polymer 0.50 0.10 8XJ 8XK C19H23N7O2 non-polymer 0.50 0.18 8XK 8XL C11H8N2 non-polymer 0.20 0.23 8XL 8XM C29F1H24N5O4S1 non-polymer 0.50 0.32 8XM 8XN C20H25N7O2 non-polymer 0.50 0.17 8XN 8XO C18H30N4O3 non-polymer 0.57 0.48 8XO 8XP C27F1H25N2O3 non-polymer 0.50 0.33 8XP 8XQ C10H7N1O3 non-polymer 0.00 0.00 8XQ 8XR C24H29N3O2 non-polymer 0.00 0.00 8XR 8XS C23F1H16N1O4 non-polymer 0.50 0.14 8XS 8XT C15H20N4O2 non-polymer 0.50 0.24 8XT 8XU C9H13N2O9P1 non-polymer 1.00 0.48 8XU 8XV C23F1H21N4O6S1 non-polymer 0.00 0.00 8XV 8XW C14H21O4P1S1 non-polymer 0.00 0.00 8XW 8XX C22H25N3O2 non-polymer 0.50 0.15 8XX 8XZ C13H19O4P1S1 non-polymer 0.00 0.00 8XZ 8Y0 C41F3H51N6O5 non-polymer 0.57 0.22 8Y0 8Y2 C26H24N2O4S2 non-polymer 0.00 0.00 8Y2 8Y4 C14H14N6O2S1 non-polymer 0.00 0.00 8Y4 8Y5 C27H23N3O4S2 non-polymer 0.00 0.00 8Y5 8Y6 C25F2H14N4O5 non-polymer 0.00 0.00 8Y6 8Y7 C8H9N5O3S1 non-polymer 0.00 0.00 8Y7 8Y8 C22H20N2O4S2 non-polymer 0.00 0.00 8Y8 8YA C23Cl1F1H23N7O1 non-polymer 0.00 0.00 8YA 8YB C26Cl2H20N2O4S2 non-polymer 0.00 0.00 8YB 8YC C14H20N4O2 non-polymer 0.00 0.00 8YC 8YD C23Cl1F1H22N6O1 non-polymer 0.00 0.00 8YD 8YE C14H16N4O3 non-polymer 0.00 0.00 8YE 8YF C12H19N3O5S1 non-polymer 0.62 0.48 8YF 8YH C11H22N2O1 non-polymer 0.00 0.00 8YH 8YJ C15Cl1H11O3S1 non-polymer 0.00 0.00 8YJ 8YM C15H12O3S1 non-polymer 0.62 0.16 8YM 8YN C9H14N3O7P1 DNA linking 1.00 0.55 8YN 8YO C10H8O4 non-polymer 0.00 0.00 8YO 8YP C10H20O1 non-polymer 0.00 0.00 8YP 8YQ C36Cl1H35N2O7 non-polymer 0.00 0.00 8YQ 8YR C6H11N1O3 L-peptide linking 0.00 0.00 8YR 8YT C17H24N2O3 non-polymer 0.00 0.00 8YT 8YU C9H13N1 non-polymer 0.00 0.00 8YU 8YV C6H10O7 non-polymer 0.99 1.00 8YV 8YW C16H14N2O6 non-polymer 0.00 0.00 8YW 8YZ C35H34N2O7 non-polymer 0.84 0.16 8YZ 8Z0 C41H48N4O8S1 peptide-like 0.38 0.33 8Z0 8Z1 C22F3H24N5O1 non-polymer 0.00 0.00 8Z1 8Z2 C33H56N7O17P3S1 non-polymer 1.00 0.48 8Z2 8Z4 C29H33N3O4 non-polymer 0.36 0.11 8Z4 8Z5 Br1C7H6I1 non-polymer 0.00 0.00 8Z5 8Z7 C20F3H22N3O1 non-polymer 0.00 0.00 8Z7 8Z8 C19Cl1F3H17N5O1 non-polymer 0.00 0.00 8Z8 8ZA C23Cl2H29N3O1 non-polymer 0.00 0.00 8ZA 8ZB C12H17N5O3 non-polymer 1.00 0.50 8ZB 8ZD C28F3H37N4O2 non-polymer 0.00 0.00 8ZD 8ZE C9H10O3 non-polymer 0.00 0.00 8ZE 8ZG C21Cl1F1H20N4O1 non-polymer 0.00 0.00 8ZG 8ZH C23Cl1H24N5O2S1 non-polymer 0.00 0.00 8ZH 8ZJ C15H13N3O2 non-polymer 0.50 0.20 8ZJ 8ZK C25Cl1H28N5O2S1 non-polymer 0.00 0.00 8ZK 8ZM C10H7N5O1 non-polymer 0.00 0.00 8ZM 8ZN C24Cl1F3H23N5O2S1 non-polymer 0.00 0.00 8ZN 8ZP C21H21N3O4 non-polymer 0.00 0.00 8ZP 8ZQ C29Cl1H29N6O2S1 non-polymer 0.00 0.00 8ZQ 8ZR C10Cu1H14N4S1 non-polymer 0.20 0.19 8ZR 8ZS C17H17N3O3 non-polymer 0.61 0.30 8ZS 8ZT C25Cl1H28N5O3S1 non-polymer 0.00 0.00 8ZT 8ZU C10H12O2 non-polymer 0.00 0.00 8ZU 8ZV C28H38N2O9S1 non-polymer 0.75 0.53 8ZV 8ZW C22Cl1H23N4O4S2 non-polymer 0.00 0.00 8ZW 8ZX C8H9N1O2 non-polymer 0.00 0.00 8ZX 8ZZ C23Cl1F1H23N5O2S1 non-polymer 0.00 0.00 8ZZ 900 C28Cl1H21N2O4 non-polymer 0.00 0.00 900 901 C32H40N4O10S1 non-polymer 0.00 0.00 901 902 Br1C25H25N6O5S2 non-polymer 0.00 0.00 902 903 C35F1H36N3O9 non-polymer 0.97 0.29 903 904 C24F2H22N6O3S1 non-polymer 0.29 0.11 904 905 C25F1H28N5O6S1 non-polymer 0.00 0.00 905 906 C23H31N5O3 non-polymer 0.57 0.16 906 907 Br1C16H14N3O1 non-polymer 0.00 0.00 907 908 C27H30N4O4 non-polymer 0.36 0.11 908 90A C13H25N1O7 non-polymer 0.98 1.00 90A 90B Br1C23Cl1H23N5O2S1 non-polymer 0.00 0.00 90B 90C C30H36N2O2 non-polymer 0.36 0.12 90C 90D C30F1H42N3O4 non-polymer 0.00 0.00 90D 90E C23Cl1F2H22N5O2S1 non-polymer 0.00 0.00 90E 90G C11Cl1H10N3O1S1 non-polymer 0.00 0.00 90G 90J C11F1H10N3O1S1 non-polymer 0.00 0.00 90J 90K C24Cl1H20N5O2S1 non-polymer 0.00 0.00 90K 90L C29H48O4 non-polymer 0.55 0.18 90L 90M C12F1H12N3O1S1 non-polymer 0.00 0.00 90M 90N C22Cl1H19N8O2S1 non-polymer 0.00 0.00 90N 90O C29H48O4 non-polymer 0.55 0.18 90O 90P C24H37N5O2 non-polymer 0.00 0.00 90P 90R C11H8O3 non-polymer 0.00 0.00 90R 90S Br1C14H18N5O1 non-polymer 0.00 0.00 90S 90T C23Cl1H21N4O4S1 non-polymer 0.00 0.00 90T 90V C15H22N4O2 non-polymer 0.00 0.00 90V 90W C24Cl1H25N4O3S1 non-polymer 0.00 0.00 90W 90Z C27Cl1H32N5O3S1 non-polymer 0.00 0.00 90Z 910 Br1C20H16N1O5S1 non-polymer 0.00 0.00 910 911 C2H8O7P2 non-polymer 0.00 0.00 911 912 C25Cl1H29N4O3S1 non-polymer 0.00 0.00 912 913 C10H11N3 non-polymer 0.00 0.00 913 914 C10F1H13N5O11P3 non-polymer 1.00 0.23 914 915 C14F1H19N2O5S1 non-polymer 0.00 0.00 915 916 C26H38N2O3S1 non-polymer 0.38 0.06 916 917 C15H15N3O3S1 non-polymer 0.00 0.00 917 918 C18F3H21N6O1 non-polymer 0.00 0.00 918 919 C30F1H28N7O3 non-polymer 0.50 0.20 919 91B C12H19N3 non-polymer 0.00 0.00 91B 91D C26Cl1F1H30N6O2 non-polymer 0.20 0.08 91D 91E C23Cl1H26N5O2S1 non-polymer 0.38 0.19 91E 91F C15H12N2O1S1 non-polymer 0.00 0.00 91F 91G C30Cl1H33N6O3 non-polymer 0.20 0.07 91G 91H C25Cl1H25N4O4S1 non-polymer 0.00 0.00 91H 91J C17H24N4O1S1 non-polymer 0.00 0.00 91J 91K C24Cl1H23N4O4S1 non-polymer 0.00 0.00 91K 91L C15H9N1O5 non-polymer 0.00 0.00 91L 91N C15H16N3O6P1S1 non-polymer 1.00 0.35 91N 91O C18Cl1H16N1O5 non-polymer 0.29 0.20 91O 91P C20H30N8O18P3 non-polymer 1.00 0.41 91P 91R C14H21N2O16P3 non-polymer 1.00 0.43 91R 91S C21Cl1F2H19N4O2 non-polymer 0.00 0.00 91S 91T C14H21N2O16P3 non-polymer 1.00 0.43 91T 91U C23Cl1H32N3O3 peptide-like 0.00 0.00 91U 91V C27H32N6O1 non-polymer 0.00 0.00 91V 91W C28H44O4 non-polymer 0.70 0.22 91W 91X C14H8N4O3S1 non-polymer 0.00 0.00 91X 91Y C21H24N4O2 non-polymer 0.00 0.00 91Y 920 C23F1H25N8O1 non-polymer 0.00 0.00 920 921 C30H35N3O2 non-polymer 0.38 0.06 921 922 C21H27N4O7P1 non-polymer 0.47 0.64 922 923 C27H28O7 non-polymer 0.70 0.41 923 924 C23H19N3O1S1 non-polymer 0.00 0.00 924 925 C28H32N6O3 non-polymer 0.00 0.00 925 926 C15H13N3O1S1 non-polymer 0.00 0.00 926 927 C31H36N4O2 non-polymer 0.38 0.05 927 928 C10Cl1H7N4 non-polymer 0.00 0.00 928 929 C44F2H53N5O8S1 non-polymer 0.59 0.28 929 92A C30Cl1H40N3O3 non-polymer 0.00 0.00 92A 92B C12H16N2O3 non-polymer 0.00 0.00 92B 92C C13Cl1H10N3O1 non-polymer 0.00 0.00 92C 92D C26H30N4O2 non-polymer 0.38 0.06 92D 92E C24H23N3O6 non-polymer 0.62 0.09 92E 92F C13H14N5O7P1 DNA linking 1.00 0.35 92F 92G C9H8N2O1S1 non-polymer 0.00 0.00 92G 92H C30H37N3O1 non-polymer 0.45 0.21 92H 92J C28F3H29N4O4 non-polymer 0.00 0.00 92J 92K C8H7N1O3 non-polymer 0.40 0.67 92K 92L C14H13N1O7S1 non-polymer 0.00 0.00 92L 92M C25H34N6O3 non-polymer 0.00 0.00 92M 92N B1C14H11O4 non-polymer 0.00 0.00 92N 92O C15H20N2 non-polymer 0.00 0.00 92O 92P C9H8N2O2 non-polymer 0.97 0.31 92P 92Q C22Cl1H22N5O2S1 non-polymer 0.00 0.00 92Q 92R C19H20N2O2 non-polymer 0.20 0.13 92R 92T C24Cl1H17N8O1 non-polymer 0.00 0.00 92T 92U C15H18N4O4S1 non-polymer 0.00 0.00 92U 92V C15F3H16N3O2S1 non-polymer 0.00 0.00 92V 92X C24H22N2O5 non-polymer 0.00 0.00 92X 92Y C16H23N1O1 non-polymer 0.20 0.17 92Y 92Z C5H6N2O1 non-polymer 0.00 0.00 92Z 930 C24Cl1F1H23N3O3S1 non-polymer 0.00 0.00 930 931 C24Cl1F1H23N3O3S1 non-polymer 0.00 0.00 931 932 C18H17N5O2S1 non-polymer 0.00 0.00 932 933 C16H22N4O1 non-polymer 0.50 0.43 933 935 C21F3H25N4O1 non-polymer 0.00 0.00 935 936 C18H16N2O6 non-polymer 0.00 0.00 936 937 C24F3H27N8O3 non-polymer 0.00 0.00 937 938 C4Cl1H4N3 non-polymer 0.00 0.00 938 939 C22F3H24N7O2 non-polymer 0.00 0.00 939 93A C9H13N4O10P1S1 non-polymer 1.00 0.40 93A 93B C4H8N2S1 non-polymer 0.00 0.00 93B 93C C20H17N5O2 non-polymer 0.00 0.00 93C 93D C9H15N4O6P1 DNA linking 1.00 0.55 93D 93E C5Cl1H5N2 non-polymer 0.00 0.00 93E 93G C15H15N6O4 non-polymer 0.00 0.00 93G 93H C17H21N1O3 non-polymer 0.00 0.00 93H 93J C24Cl1F1H23N5O2 non-polymer 0.43 0.12 93J 93K C7H9N3O1 non-polymer 0.00 0.00 93K 93M C39H59N10O21P3S1 non-polymer 1.00 0.31 93M 93N C21F3H23N4O1 non-polymer 0.00 0.00 93N 93O C27H26N2O7 non-polymer 0.97 0.33 93O 93P C37H56N9O20P3S1 non-polymer 1.00 0.33 93P 93Q C6H8N2 non-polymer 0.00 0.00 93Q 93R C18Cl2H17N1O4 non-polymer 0.97 0.36 93R 93S C20Cl2H24N4O7S2 non-polymer 0.58 0.20 93S 93T Br1C17H16N3O2 non-polymer 0.00 0.00 93T 93U C26H27N3O6 non-polymer 0.97 0.31 93U 93V C13H10O6 non-polymer 0.00 0.00 93V 93W C21Cl1H16N3O4 non-polymer 0.45 0.31 93W 93X C20H23N1O7 non-polymer 0.00 0.00 93X 93Y C20Cl2H24N4O6S2 non-polymer 0.00 0.00 93Y 93Z C7H14O9S1 non-polymer 1.00 0.76 93Z 941 C29H36N2O12 non-polymer 0.97 0.40 941 942 C16H20N4O3 non-polymer 1.00 0.57 942 945 C7H14O9S1 non-polymer 1.00 0.76 945 946 C19H19N1O3 non-polymer 0.00 0.00 946 947 Br1C18H16N3O3S2 non-polymer 0.00 0.00 947 948 C7H13N1O4 non-polymer 1.00 1.00 948 949 C18F1H16N1O4S1 non-polymer 0.00 0.00 949 94A C19H26N4O4 non-polymer 0.36 0.15 94A 94B C7H13N1O4 non-polymer 1.00 1.00 94B 94C C21Cl1F2H19N4O1 non-polymer 0.00 0.00 94C 94D C11H15N2O4P1S1 non-polymer 0.00 0.00 94D 94E C7H12O8S1 non-polymer 1.00 0.81 94E 94F C22Cl1F4H19N4O1 non-polymer 0.00 0.00 94F 94G Br1C12Cl1H9N3O3S1 non-polymer 0.00 0.00 94G 94H C20H18N4O1S1 non-polymer 0.00 0.00 94H 94I C16H21N9O1 non-polymer 1.00 0.54 94I 94J C19Cl2H22N4O6S2 non-polymer 0.00 0.00 94J 94K C20Cl1H19N2O1S1 non-polymer 0.00 0.00 94K 94L C24H22N2O5 non-polymer 0.00 0.00 94L 94M C14Cl1H15N6O1 non-polymer 0.00 0.00 94M 94N Br2C6H4O1 non-polymer 0.00 0.00 94N 94O C19H16N3O8P1 DNA linking 1.00 0.29 94O 94Q C35H56N9O17P3S1 non-polymer 1.00 0.35 94Q 94R C28H46O1 non-polymer 0.25 0.07 94R 94S Br1C15H18N3O4S2 non-polymer 0.00 0.00 94S 94T C12H20N2O12P2 non-polymer 1.00 0.61 94T 94U C16H18N4O1S1 non-polymer 0.00 0.00 94U 94V Br1C10Cl1H7N3O3S2 non-polymer 0.00 0.00 94V 94W C8H8N2O1S1 non-polymer 0.00 0.00 94W 94X Br1C12H13O3 non-polymer 0.93 0.62 94X 94Y Br1C10Cl2H6N3O3S2 non-polymer 0.00 0.00 94Y 94Z C21F1H23N4O3 non-polymer 0.00 0.00 94Z 950 C18F1H19N4O2 non-polymer 0.56 0.20 950 951 C18Cl1H13N2O3 non-polymer 0.28 0.25 951 952 C23H25N3O3 non-polymer 1.00 0.31 952 953 C16Cl1F3H11N5O1 non-polymer 0.00 0.00 953 954 C18F1H18N7O1S2 non-polymer 1.00 0.28 954 956 C20H18N4O2S1 non-polymer 0.00 0.00 956 957 C24F2H32N2O2S1 non-polymer 0.38 0.06 957 958 C19H21N7O3 non-polymer 0.20 0.10 958 959 C11H13N1O3 non-polymer 0.44 0.80 959 95B C20H22N2O8 non-polymer 0.55 0.30 95B 95C C15H13N3O4 non-polymer 0.00 0.00 95C 95D Br1C15H14N5O5S2 non-polymer 0.00 0.00 95D 95E C10H24N2O2 non-polymer 0.50 1.00 95E 95G Br1C14Cl2H10N5O4S2 non-polymer 0.00 0.00 95G 95H C16H22N2O8S1 non-polymer 1.00 0.59 95H 95J Br1C11H7N4O4S3 non-polymer 0.00 0.00 95J 95K Br1C19H29N6 non-polymer 0.00 0.00 95K 95M Br1C12H14N3O3S3 non-polymer 0.00 0.00 95M 95N Br1C16H23N6 non-polymer 0.00 0.00 95N 95P Br2C8Cl1H4N3O3S3 non-polymer 0.00 0.00 95P 95Q C22Cl1H27N6 non-polymer 0.00 0.00 95Q 95S Br1C12H14N3O4S3 non-polymer 0.56 0.22 95S 95U C17H15N3O1 non-polymer 0.38 0.24 95U 95V Br1C14H11N4O3S3 non-polymer 0.00 0.00 95V 95W C22H24N4O3 non-polymer 1.00 0.31 95W 95Y Br1C18H23N4O5S2 non-polymer 0.56 0.17 95Y 95Z C6H13N1O5 D-saccharide 1.00 1.00 95Z 960 C16Cl1H11N8O2S1 non-polymer 0.00 0.00 960 961 C23F1H26N1O4 non-polymer 0.00 0.00 961 962 C8H19N1O3 non-polymer 0.55 1.00 962 964 C19H27N5O5S2 non-polymer 0.00 0.00 964 965 C33Cl1F3H31N1O3 non-polymer 0.00 0.00 965 967 Br1C12H8N3O3S3 non-polymer 0.00 0.00 967 968 C19H13N1O6 non-polymer 0.00 0.00 968 969 C22H18O6 non-polymer 0.00 0.00 969 96A Br1C15H18N5O5S2 non-polymer 0.56 0.18 96A 96B C10H13N1 non-polymer 0.00 0.00 96B 96C C21H24N2O4 non-polymer 0.00 0.00 96C 96D C13F2H9N5O4S1 non-polymer 0.00 0.00 96D 96E C10H23N1O2 non-polymer 0.00 0.00 96E 96F C22H20O7 non-polymer 0.61 0.34 96F 96G Br1C15H12N3O4S3 non-polymer 0.00 0.00 96G 96J Br1C12H12N3O3S2 non-polymer 0.00 0.00 96J 96K C12H27N1O1 non-polymer 0.00 0.00 96K 96M C26Cl2H27N5O2 non-polymer 0.50 0.23 96M 96N C21H22N2O2 non-polymer 0.62 0.12 96N 96O C10H17N3O6 non-polymer 1.00 0.63 96O 96P C25F3H20N1O12 non-polymer 0.95 0.24 96P 96Q C35F3H29N4O3 non-polymer 0.23 0.18 96Q 96R C12H10N4O1 non-polymer 0.00 0.00 96R 96S C20Cl2H19N5O2 non-polymer 0.00 0.00 96S 96T C29H37N2O2 non-polymer 0.25 0.06 96T 96U C12H10N4O2 non-polymer 0.00 0.00 96U 96V C26H32N4O2 non-polymer 0.50 0.25 96V 96X C15H14N4O2 non-polymer 0.00 0.00 96X 96Y C21F2H19N7 non-polymer 0.00 0.00 96Y 96Z C13H15N1O2 non-polymer 0.00 0.00 96Z 971 C20H24N8O1 non-polymer 0.00 0.00 971 972 C18Cl1H19N4O2 non-polymer 0.56 0.20 972 973 C21Cl1H13O3 non-polymer 0.25 0.36 973 974 C28F2H27N6O5 non-polymer 1.00 0.22 974 975 C8H10O3 non-polymer 0.00 0.00 975 976 C21Cl1H20N1O2 non-polymer 0.00 0.00 976 977 Br1C10H8N3O1 non-polymer 0.00 0.00 977 979 C24H25N5O1 non-polymer 0.00 0.00 979 97A C14F3H13N2O2 non-polymer 0.00 0.00 97A 97B C30Cl1F2H25N6O1 non-polymer 0.00 0.00 97B 97E C26Cl1H15N8O1 non-polymer 0.00 0.00 97E 97H C14H11N3O1 non-polymer 0.00 0.00 97H 97K C15H10N4O1 non-polymer 0.00 0.00 97K 97M C19H36O4 non-polymer 0.98 0.70 97M 97N C19H36O4 non-polymer 0.98 0.70 97N 97O C21H22N2O4 non-polymer 0.00 0.00 97O 97V C29H31N7O4S1 non-polymer 0.00 0.00 97V 97Y C26F3H28N5O3 non-polymer 0.61 0.22 97Y 97Z C18H17N3O2 non-polymer 0.00 0.00 97Z 98 C10H12N2O1 non-polymer 0.00 0.00 98 980 C23H30N8O3S1 non-polymer 0.64 0.17 980 981 C25Cl2F1H23N6O1 non-polymer 0.00 0.00 981 982 C10H7N1O5S1 non-polymer 0.00 0.00 982 983 C31H40N3O8P1S1 non-polymer 0.00 0.00 983 984 C25Cl2H30N6 non-polymer 0.00 0.00 984 985 C19H22N4O2 non-polymer 0.58 0.20 985 987 C22Cl1H27N4O4S1 non-polymer 0.00 0.00 987 988 C21H15N3O2 non-polymer 0.00 0.00 988 989 C29H31N3O7 non-polymer 0.00 0.00 989 98B C8H11N1 non-polymer 0.00 0.00 98B 98D C26H30N8O2 non-polymer 0.36 0.11 98D 98E C25Cl1H32N5O2 non-polymer 0.00 0.00 98E 98G C26H30N8O2 non-polymer 0.36 0.11 98G 98H C30H46O3 non-polymer 0.62 0.21 98H 98J C5H8O4 non-polymer 0.80 1.00 98J 98M C27Cl1H31N8O2 non-polymer 0.45 0.29 98M 98N C27F3H35N4O3S1 non-polymer 0.00 0.00 98N 98P C21Cl1H26N4O2 peptide-like 0.00 0.00 98P 990 C20F1H18N5O2 non-polymer 0.00 0.00 990 991 C20Cl1H20N3O2 non-polymer 0.00 0.00 991 992 C24Cl1H18N3O3 non-polymer 0.00 0.00 992 993 C23Cl3H19N6O3S1 non-polymer 0.00 0.00 993 994 C23H22N6O3 non-polymer 0.00 0.00 994 995 C20H36N6O3S1 non-polymer 0.42 0.43 995 996 C26H40N4O2 non-polymer 0.38 0.06 996 997 C31H42N4O4 non-polymer 0.45 0.28 997 998 C25H38N4O3 non-polymer 0.45 0.34 998 999 C4H7N1O5 D-peptide linking 0.75 1.00 999 99A C30H33N5O3 non-polymer 0.00 0.00 99A 99B C29H37N5O3 non-polymer 0.00 0.00 99B 99C C12H18O8P2 non-polymer 0.62 0.36 99C 99E C21H22N2O4 non-polymer 0.62 0.11 99E 99J C26F3H27N8O2 non-polymer 0.36 0.10 99J 99K C11Cl1F3H6N4O2 non-polymer 0.00 0.00 99K 99L C18H20N2O4S1 non-polymer 0.00 0.00 99L 99M C26H29N7O3 non-polymer 0.45 0.31 99M 99N C37H56N2O7S1 non-polymer 0.00 0.00 99N 99O C18H20N2O4S1 non-polymer 0.00 0.00 99O 99P C20H24N4O2 peptide-like 0.00 0.00 99P 99R C18H21N3O3S1 non-polymer 0.00 0.00 99R 99S C24H21N5O3S1 non-polymer 0.97 0.12 99S 99T C13H21N3O8S1 non-polymer 0.00 0.00 99T 99U C17H18N2O3S1 non-polymer 0.00 0.00 99U 99V C27F1H31N8O2 non-polymer 0.45 0.29 99V 99X C18H20N2O4S1 non-polymer 0.00 0.00 99X 99Y C10H11N1O4 peptide linking 0.00 0.00 99Y 99Z C17H16N4O3S2 non-polymer 1.00 0.38 99Z 9A0 C26H28N2O4S1 non-polymer 0.38 0.06 9A0 9A3 C27F3H20N3O4 non-polymer 0.00 0.00 9A3 9A4 C4H8O1 non-polymer 0.75 1.00 9A4 9A5 C30Cl1H36N5O1 non-polymer 0.00 0.00 9A5 9A6 C25H27N7 non-polymer 0.25 0.06 9A6 9A7 C4H8O1 non-polymer 0.75 1.00 9A7 9A8 C17H16N2O2 non-polymer 0.58 0.19 9A8 9AA C12H14N2O4S1 non-polymer 1.00 0.47 9AA 9AC C14H9N1O1 non-polymer 0.00 0.00 9AC 9AD C18H20N4O1 non-polymer 0.45 0.30 9AD 9AE C11H25N1 non-polymer 0.36 0.33 9AE 9AF C33H42N4O6 non-polymer 0.97 0.19 9AF 9AG C14H15N1O1 non-polymer 0.00 0.00 9AG 9AH C10H20N2 non-polymer 0.00 0.00 9AH 9AI C4H7N1S1 non-polymer 0.36 0.67 9AI 9AJ C37H44N8O4 non-polymer 0.00 0.00 9AJ 9AK C6H16N2O1 non-polymer 0.50 0.67 9AK 9AL C13H20N2O2 peptide-like 0.50 0.47 9AL 9AM C11H18N2O7 non-polymer 1.00 1.00 9AM 9AN C14H10N2O2 non-polymer 0.00 0.00 9AN 9AO C33H41N7O5 non-polymer 0.00 0.00 9AO 9AP C14H11N1 non-polymer 0.00 0.00 9AP 9AQ C16H14N2O2 non-polymer 0.00 0.00 9AQ 9AR C17H11N1O8 non-polymer 0.00 0.00 9AR 9AT C4H10N2O2 L-peptide linking 0.00 0.00 9AT 9AU C24H30O3 non-polymer 0.38 0.48 9AU 9AW C19H13N3O1 non-polymer 0.00 0.00 9AW 9AX C20H36O7P2 non-polymer 0.62 0.17 9AX 9AY C7H10N2 non-polymer 0.00 0.00 9AY 9AZ C20H19N3O5 non-polymer 1.00 0.68 9AZ 9B0 C40H66N2O9 non-polymer 0.50 0.29 9B0 9B1 C29H29N5O3S1 non-polymer 0.00 0.00 9B1 9B2 C19H19N3O1 non-polymer 0.00 0.00 9B2 9B3 C9Cl1H11N2O2Se1 non-polymer 0.00 0.00 9B3 9B4 C20H42O9 non-polymer 0.85 1.00 9B4 9B5 C21H26N4O4S1 non-polymer 0.00 0.00 9B5 9B6 C22F3H16N5O4 non-polymer 0.00 0.00 9B6 9B7 C20H22N8O14P2 non-polymer 1.00 0.45 9B7 9B8 C26H34N4O5S1 non-polymer 0.38 0.06 9B8 9BA C28H44N8O5 peptide-like 0.00 0.00 9BA 9BB C10H16N2O4S1 peptide-like 0.00 0.00 9BB 9BD C19H19N5O3 non-polymer 0.75 0.19 9BD 9BE C8H9N1S1 non-polymer 0.00 0.00 9BE 9BF C12H13N1O1 non-polymer 0.00 0.00 9BF 9BG C20H26N10O14P2 non-polymer 1.00 0.43 9BG 9BH C27H36N4O4S1 non-polymer 0.38 0.06 9BH 9BJ C18H24N4O16P2 non-polymer 1.00 0.45 9BJ 9BK C28H37N5O5S1 non-polymer 0.38 0.05 9BK 9BL C19Cl1H23O5 non-polymer 0.97 0.44 9BL 9BM C25H26N4O4 non-polymer 0.38 0.06 9BM 9BN C28H36N4O5S1 non-polymer 0.38 0.05 9BN 9BO C21Cl1H27O5 non-polymer 0.55 0.48 9BO 9BP C9H18N2O3 D-peptide linking 0.93 0.57 9BP 9BR C23Cl1H31O3 non-polymer 0.38 0.48 9BR 9BS C9H7N3 non-polymer 0.00 0.00 9BS 9BT C24H32N4O5S1 non-polymer 0.42 0.29 9BT 9BU C22Cl1H29O5 non-polymer 0.69 0.43 9BU 9BV C8H5N5O1 non-polymer 0.00 0.00 9BV 9BW C26H34N4O4S1 non-polymer 0.38 0.06 9BW 9BX C23Cl1H29O5 non-polymer 0.69 0.45 9BX 9BY C12H9N3O2S1 non-polymer 0.00 0.00 9BY 9BZ C9H15N1O2S3 non-polymer 0.00 0.00 9BZ 9C0 C17H20N2O2S1 non-polymer 0.38 0.09 9C0 9C1 C10Cl1H16N1O6 non-polymer 1.00 0.94 9C1 9C2 C5H13N2O8P1 non-polymer 1.00 0.69 9C2 9C3 C16H18N2O3S1 non-polymer 0.58 0.18 9C3 9C4 C7H12O7 non-polymer 1.00 1.00 9C4 9C5 C17H17N3O2 non-polymer 0.43 0.23 9C5 9C6 C19H16N2O3S1 non-polymer 0.00 0.00 9C6 9C8 C18H19N3O1 non-polymer 0.00 0.00 9C8 9C9 C26Cl2H29N7O2 non-polymer 0.00 0.00 9C9 9CA C12H9N1 non-polymer 0.00 0.00 9CA 9CB C17Cl1H16N3O2 non-polymer 0.43 0.22 9CB 9CC C16H20O5 non-polymer 0.00 0.00 9CC 9CD C10H17N1O6 non-polymer 1.00 1.00 9CD 9CE C14H11N3O1 non-polymer 0.00 0.00 9CE 9CF C16H20O5 non-polymer 0.00 0.00 9CF 9CG C12H8O2 non-polymer 0.00 0.00 9CG 9CH C20Cl2H20N8O3 non-polymer 0.00 0.00 9CH 9CJ C21H18N2O5 non-polymer 0.00 0.00 9CJ 9CK Br1C19H22N5O2 non-polymer 0.00 0.00 9CK 9CL C7Cl1H7 non-polymer 0.00 0.00 9CL 9CM C8H11N3O6S1 non-polymer 0.00 0.00 9CM 9CO C39Co1H40N8O4S1 non-polymer 0.00 0.00 9CO 9CP C8H13N3O6S1 non-polymer 0.00 0.00 9CP 9CQ C18H18N4O1 non-polymer 0.20 0.13 9CQ 9CR C20H28O2 non-polymer 0.50 0.41 9CR 9CS C18H37N5O10 non-polymer 1.00 1.00 9CS 9CT C23H26N4O4 non-polymer 0.00 0.00 9CT 9CU C16H20O5 non-polymer 0.00 0.00 9CU 9CV C30F1H31N6O2 non-polymer 1.00 0.28 9CV 9CW C28H44O4 non-polymer 0.70 0.22 9CW 9CX C16H20O5 non-polymer 0.00 0.00 9CX 9CY C21H20N2O2 non-polymer 0.45 0.32 9CY 9CZ C28H44O4 non-polymer 0.70 0.22 9CZ 9D0 C23H30N4O2S1 non-polymer 0.00 0.00 9D0 9D1 C25H26N4O1S1 non-polymer 0.00 0.00 9D1 9D2 C6H14O3 non-polymer 0.67 1.00 9D2 9D3 C19H22N4O2S1 non-polymer 0.00 0.00 9D3 9D4 C19F1H14N3S1 non-polymer 0.00 0.00 9D4 9D5 C17H19N3O2 non-polymer 0.43 0.23 9D5 9D6 C23H28N4O2S1 non-polymer 0.00 0.00 9D6 9D7 C33H20N4O2Zn1 non-polymer 0.00 0.00 9D7 9D8 C23Cl1H23N2O3S1 non-polymer 0.00 0.00 9D8 9D9 C11F2H15N4O4P1 non-polymer 0.00 0.00 9D9 9DA C6H6N4 non-polymer 0.00 0.00 9DA 9DB C22H25N7O2 non-polymer 0.00 0.00 9DB 9DC C3H8O1S2 non-polymer 0.00 0.00 9DC 9DE Br1C12H11N2O4S2 non-polymer 0.00 0.00 9DE 9DG C6H6N4O1 non-polymer 0.00 0.00 9DG 9DH C15H17N3O3S1 non-polymer 0.00 0.00 9DH 9DI C11H13N3O5 non-polymer 1.00 0.63 9DI 9DJ C24H25N3O2 non-polymer 0.00 0.00 9DJ 9DK C10H15N3O3 non-polymer 0.93 0.56 9DK 9DN C16H19N3O5S1 L-peptide linking 0.20 0.12 9DN 9DP C24Cl2H25N5O3 non-polymer 0.38 0.06 9DP 9DQ C4H7N5O2 non-polymer 0.00 0.00 9DQ 9DR C21H21N5O1 non-polymer 0.00 0.07 9DR 9DS C15H18N2O4S1 non-polymer 0.71 0.27 9DS 9DT C10F1H12N1O2 non-polymer 0.93 0.57 9DT 9DU C11H15N1O1S1 non-polymer 0.00 0.00 9DU 9DW C18H21N1O3 non-polymer 0.00 0.00 9DW 9DX C11H17N1O7 non-polymer 1.00 0.74 9DX 9DZ C13H20N2O1 non-polymer 0.00 0.00 9DZ 9E1 C18H20N6O4S1 non-polymer 0.36 0.14 9E1 9E2 C12Cl1H12N5O5S1 non-polymer 0.00 0.00 9E2 9E3 C13F1H10N3O1 non-polymer 0.00 0.00 9E3 9E4 C20H22N6O3 non-polymer 0.50 0.28 9E4 9E5 C19H20N2O4S1 non-polymer 0.00 0.00 9E5 9E6 C5Cl1H3O2S1 non-polymer 0.00 0.00 9E6 9E7 C7H16N2O2S1 L-peptide linking 0.00 0.00 9E7 9E8 C15Cl1H16N3O3S1 non-polymer 0.00 0.00 9E8 9E9 C5Cl1H3O2S1 non-polymer 0.00 0.00 9E9 9EA C46H46N6O5 non-polymer 0.00 0.00 9EA 9EB C15Cl1H15N2O4S1 non-polymer 0.27 0.35 9EB 9EC C20F1H22N2O3S1 non-polymer 1.00 0.37 9EC 9EE C6H12N2O2 non-polymer 0.00 0.00 9EE 9EF C13H26N3O8P1 non-polymer 0.62 0.40 9EF 9EG C13Cl3H9N2O1 non-polymer 0.00 0.00 9EG 9EJ C28H34N8O2S1 non-polymer 0.46 0.28 9EJ 9EK C24H27N5O4 non-polymer 0.50 0.12 9EK 9EL C21F3H15N2O2 non-polymer 0.00 0.00 9EL 9EM C25F3H25N8O2 non-polymer 0.00 0.00 9EM 9EN C16F1H20N3O3S1 non-polymer 0.00 0.00 9EN 9EO C27H22N4O3 non-polymer 0.38 0.26 9EO 9EP C16H18N2O6S2 non-polymer 0.46 0.31 9EP 9ER C28H40N4S1 non-polymer 0.20 0.09 9ER 9ES C29Cl2H36N8O4 non-polymer 0.00 0.00 9ES 9ET C20H19N1O4 non-polymer 0.62 0.36 9ET 9EU C28F1H22N5O2 non-polymer 0.20 0.08 9EU 9EV C16H24N3O9P1 L-peptide linking 1.00 0.45 9EV 9EW C7H5N1O2 non-polymer 0.00 0.00 9EW 9EX C4H10O1S1 non-polymer 0.56 0.83 9EX 9EY C27Cl1H26N9O4 non-polymer 0.29 0.12 9EY 9EZ C10H11N3 non-polymer 0.00 0.00 9EZ 9F0 C45H63N13Pt3 non-polymer 0.00 0.00 9F0 9F1 C27Cl1F2H26N5O4 non-polymer 0.00 0.00 9F1 9F2 C18H18N8O7S3 non-polymer 1.00 0.50 9F2 9F3 C12H20O10 non-polymer 1.00 1.00 9F3 9F4 C20F1H16N3O2 non-polymer 0.00 0.00 9F4 9F5 C14H12O4 non-polymer 0.00 0.00 9F5 9F6 C14H11N1O2 non-polymer 0.33 0.24 9F6 9F7 C29Cl1H30N9O4 non-polymer 0.29 0.12 9F7 9F8 C12H13N1O2 non-polymer 0.00 0.00 9F8 9F9 C22H26N4O3 non-polymer 0.00 0.00 9F9 9FA C29Cl1H28N9O4 non-polymer 0.29 0.12 9FA 9FC C20H24N6O1 non-polymer 1.00 0.48 9FC 9FD C29Cl1H30N9O4 non-polymer 0.29 0.12 9FD 9FE Br1C8H5N2O2 non-polymer 0.00 0.00 9FE 9FG C12F1H9N2O1 non-polymer 0.00 0.00 9FG 9FH C11H10N2O2 non-polymer 0.00 0.00 9FH 9FJ C18H20N2O3 non-polymer 0.00 0.00 9FJ 9FK C16H12N4O2S2 non-polymer 0.00 0.00 9FK 9FL C13H10 non-polymer 0.00 0.00 9FL 9FM C20H33N5O6S1 non-polymer 0.70 0.47 9FM 9FN C14Cl1H8N1O5 non-polymer 0.00 0.00 9FN 9FO C40H82O21 non-polymer 0.88 1.00 9FO 9FQ C7H12O8S1 non-polymer 1.00 0.81 9FQ 9FR C25H32O5 non-polymer 0.00 0.00 9FR 9FS C20F3H24N5O1 non-polymer 0.36 0.14 9FS 9FU C25H30O5 non-polymer 0.00 0.00 9FU 9FV C20F3H26N5O1 non-polymer 0.36 0.14 9FV 9FX C16F1H11N4O2S1 non-polymer 0.28 0.38 9FX 9FZ C8H14N4O2 non-polymer 0.00 0.00 9FZ 9G1 C30H48N7O23P4 non-polymer 1.00 0.36 9G1 9G2 C9H16N4O2 non-polymer 0.00 0.00 9G2 9G3 C16Cl1F1H17N3O2 non-polymer 0.00 0.00 9G3 9G4 C20Cl1H17N4O4 non-polymer 1.00 0.38 9G4 9G5 C26Cl1H24N3O3 non-polymer 0.18 0.24 9G5 9G6 C22H23N5O3S1 non-polymer 0.00 0.00 9G6 9G7 C32F1H44N3O4 non-polymer 0.00 0.00 9G7 9G9 C20H22O4 non-polymer 0.00 0.00 9G9 9GA C22F3H22N7O3 non-polymer 0.45 0.31 9GA 9GB C7H15O4P1 non-polymer 0.62 0.42 9GB 9GD C32Cl1H39N4O6S2 non-polymer 0.00 0.00 9GD 9GE C15H28O2 non-polymer 0.56 0.41 9GE 9GH C16H16I1N3O3S1 non-polymer 0.00 0.00 9GH 9GJ C19F4H18N4O5 non-polymer 0.44 0.19 9GJ 9GK C19H16I1N1O4 non-polymer 0.00 0.00 9GK 9GM C10H17N6O13P3 non-polymer 1.00 0.31 9GM 9GN C14H14I1N1O3S1 non-polymer 0.00 0.00 9GN 9GP C8H15N1O7 non-polymer 1.00 1.00 9GP 9GQ C15H16I1N1O4 non-polymer 0.00 0.00 9GQ 9GS C29H33N5O4S1 non-polymer 0.00 0.00 9GS 9GT C14H12I1N1O4 non-polymer 0.62 0.20 9GT 9GU C14F3H14N5O1 non-polymer 0.00 0.00 9GU 9GV C22F1H20N5O4S1 non-polymer 0.00 0.00 9GV 9GW C14H14I1N1O4 non-polymer 0.58 0.20 9GW 9GX C19H24N4O2 non-polymer 0.00 0.00 9GX 9GY C24H23N3O4 non-polymer 0.50 0.13 9GY 9GZ C17F1H11I1N1O3 non-polymer 0.00 0.00 9GZ 9H2 C11H9I2N1O2 non-polymer 0.00 0.00 9H2 9H3 C20H21N3O3 non-polymer 0.00 0.00 9H3 9H4 C37H50N6O9S1 non-polymer 0.56 0.09 9H4 9H5 C16H17I2N3O2 non-polymer 0.00 0.00 9H5 9H6 C21H24N4O2 non-polymer 0.00 0.00 9H6 9H7 C38H46N6O8S2 non-polymer 0.56 0.09 9H7 9H8 C6F3H11N2O2S1 non-polymer 0.00 0.00 9H8 9H9 C22F2H26N4O2 non-polymer 0.00 0.00 9H9 9HB C6H10O4 non-polymer 0.95 0.80 9HB 9HC Br1C16H15N1O6P1 non-polymer 0.00 0.00 9HC 9HD C29H43N5O5 non-polymer 0.00 0.00 9HD 9HE C17H17N7 non-polymer 0.00 0.00 9HE 9HF C22H25N3O2 non-polymer 0.00 0.00 9HF 9HG C22H33N5O2 non-polymer 0.00 0.00 9HG 9HH C19H16N2O2S1 non-polymer 0.00 0.00 9HH 9HI C33F2H35N3O7S1 non-polymer 0.00 0.00 9HI 9HJ C20H31N5O2 non-polymer 0.00 0.00 9HJ 9HK C13H12N2O4S1 non-polymer 0.00 0.00 9HK 9HL C19F1H20N5 non-polymer 0.00 0.00 9HL 9HN C27Cl1H29N4O3 non-polymer 0.56 0.34 9HN 9HO C18H32O3 non-polymer 0.46 0.48 9HO 9HP C18H12N2O1 non-polymer 0.00 0.00 9HP 9HQ C23Cl1H24N5O2 non-polymer 0.00 0.00 9HQ 9HS C24Cl1H26N3O3 non-polymer 0.00 0.00 9HS 9HT C24Cl1H26N5O2 non-polymer 0.00 0.00 9HT 9HU C22H15N1O8S1 non-polymer 0.00 0.00 9HU 9HV C14H28N1O12P1 non-polymer 1.00 0.79 9HV 9HW C23Cl1H24N5O2 non-polymer 0.00 0.00 9HW 9HX C6H5N3O1 non-polymer 0.00 0.00 9HX 9HY C27H24N4O5 non-polymer 0.57 0.14 9HY 9HZ C24Cl1H23N4O3 non-polymer 0.55 0.28 9HZ 9IN C32H49N5O8 non-polymer 0.75 0.11 9IN 9IP C18H18N4O1 non-polymer 0.00 0.00 9IP 9J0 C24H24N8O1 non-polymer 0.00 0.00 9J0 9J1 C28H26N4O5 non-polymer 0.00 0.00 9J1 9J2 C22Cl1H21N4O3 non-polymer 0.60 0.23 9J2 9J3 C6H10O4 non-polymer 0.96 1.00 9J3 9J4 C22H27N5O1 non-polymer 0.00 0.00 9J4 9J5 C23Cl1H23N4O3 non-polymer 0.55 0.23 9J5 9J6 C8H14O4 non-polymer 0.65 0.58 9J6 9J7 C20F2H22N2O3S1 non-polymer 0.00 0.00 9J7 9J8 C25Cl1H26N5O2 non-polymer 0.38 0.12 9J8 9JA B1C17F3H18N3O6S1 non-polymer 0.00 0.00 9JA 9JB C14H30O7 non-polymer 0.85 1.00 9JB 9JD C29F1H40N3O5 non-polymer 0.00 0.00 9JD 9JE C5H12O2 non-polymer 0.00 0.00 9JE 9JF C20H13N1O7S1 non-polymer 0.00 0.00 9JF 9JG C22H21N5O3 non-polymer 0.50 0.10 9JG 9JH C14H13N1O1 non-polymer 0.00 0.00 9JH 9JJ B1C35F3H37N7O17P2 non-polymer 1.00 0.35 9JJ 9JK C13H11N1O1S1 non-polymer 0.00 0.00 9JK 9JM B1C36H38N9O18P2 non-polymer 1.00 0.35 9JM 9JN C20H18N4O1S1 non-polymer 0.00 0.00 9JN 9JO C33Cl1H41N8O2 non-polymer 0.00 0.00 9JO 9JP C27F1H23N4O5 non-polymer 0.00 0.00 9JP 9JQ C18F2H14N2O2 non-polymer 0.00 0.00 9JQ 9JR C22H30N6O2 non-polymer 0.00 0.00 9JR 9JS C17H15N5O3S1 non-polymer 1.00 0.35 9JS 9JT C13H11N1O1Se1 non-polymer 0.00 0.00 9JT 9JU C26H35N3O2 non-polymer 0.00 0.00 9JU 9JW C19F2H13N1O2 non-polymer 0.25 0.08 9JW 9JX C24Cl1H23N4O2S1 non-polymer 0.00 0.00 9JX 9JZ C28H38N6O3 non-polymer 0.45 0.19 9JZ 9K0 C26H38O3 non-polymer 0.45 0.21 9K0 9K2 C17F1H18N3 non-polymer 0.20 0.14 9K2 9K3 C17H23N5O1 non-polymer 0.50 0.26 9K3 9K4 C32F3H52N5O9 non-polymer 0.88 0.51 9K4 9K5 C17F1H16N5O7S1 non-polymer 1.00 0.39 9K5 9K6 C15H19N3O2S1 non-polymer 0.00 0.00 9K6 9K7 C27Cl1H23N4O5 non-polymer 0.00 0.00 9K7 9K8 C19F1H20N5O7S1 non-polymer 1.00 0.36 9K8 9K9 C10H12N5O7P1 non-polymer 1.00 0.43 9K9 9KB C17F1H21N4O1 non-polymer 0.00 0.00 9KB 9KD C27H22N4O5 non-polymer 0.38 0.14 9KD 9KE C17Cl1H21N4O1 non-polymer 0.00 0.00 9KE 9KF C18H18O3 non-polymer 0.54 0.38 9KF 9KG C28H24N4O5 non-polymer 0.50 0.16 9KG 9KH C8H9N1O4 non-polymer 0.00 0.00 9KH 9KJ C13H26N1O12P1 non-polymer 1.00 0.81 9KJ 9KK C7H15N1O2 L-peptide linking 0.59 0.80 9KK 9KL C16H14O3 non-polymer 0.46 0.42 9KL 9KO C33F3H32N9O3 non-polymer 0.00 0.00 9KO 9KP C17H20N2O6 L-peptide linking 0.93 0.16 9KP 9KQ C16H11N5 non-polymer 0.00 0.00 9KQ 9KR C27H40O3 non-polymer 0.50 0.23 9KR 9KS C8H9N1O2 non-polymer 0.00 0.00 9KS 9KT C10H10N2O2 non-polymer 0.00 0.00 9KT 9KU C21H19N3O6 non-polymer 1.00 0.47 9KU 9KV C31H35N3O1S1 non-polymer 0.00 0.00 9KV 9KW C24H28N4O5S1 non-polymer 0.00 0.00 9KW 9KX C27H38O3 non-polymer 0.50 0.40 9KX 9KY C28H35N3O2 non-polymer 0.00 0.00 9KY 9KZ C14H15N1O2 non-polymer 0.75 0.29 9KZ 9L1 C32H45N1O6 non-polymer 0.00 0.00 9L1 9L2 C15H19N3O4 non-polymer 1.00 0.64 9L2 9L3 C10H17N3O6P1 non-polymer 1.00 0.45 9L3 9L4 C28Cl2F2H23N3O3 non-polymer 0.00 0.00 9L4 9L5 C19H23N5O2 non-polymer 0.27 0.31 9L5 9L7 C34H37N3O2 non-polymer 0.00 0.00 9L7 9L8 C18H20N4O4 non-polymer 1.00 0.54 9L8 9L9 C17H19N7O7 non-polymer 1.00 0.71 9L9 9LA C28Cl1F2H25N2O3 non-polymer 0.00 0.00 9LA 9LB C14H18N4O4 non-polymer 1.00 0.64 9LB 9LD C26H24N4O5S2 non-polymer 0.75 0.14 9LD 9LE C19H21N3O4 non-polymer 1.00 0.54 9LE 9LF C39H49N1O14 non-polymer 0.00 0.00 9LF 9LG C28F1H26N3O3S1 non-polymer 0.00 0.00 9LG 9LH C38H62N4O16 non-polymer 1.00 0.69 9LH 9LI C11Cl2H12N2 non-polymer 0.00 0.00 9LI 9LJ C28Cl1F2H23N4O1 non-polymer 0.00 0.00 9LJ 9LK C17Cl1H14N3O3 non-polymer 0.00 0.00 9LK 9LL C19F1H14N3O3S1 non-polymer 0.00 0.00 9LL 9LM C21H23N3O3S2 non-polymer 0.36 0.14 9LM 9LN C22H21N5O3 non-polymer 0.50 0.13 9LN 9LO C12H12N6O4 non-polymer 1.00 0.45 9LO 9LP C27Cl1F2H30N3O5S1 non-polymer 0.00 0.00 9LP 9LQ B1C21H24N3O4S1 non-polymer 0.00 0.00 9LQ 9LS C27Cl1F3H23N3O1 non-polymer 0.00 0.00 9LS 9LT C22F1H20N5O3 non-polymer 0.00 0.00 9LT 9LU C27H28N2O4 non-polymer 0.00 0.00 9LU 9LV Br1C26Cl1H22N2O5S1 non-polymer 0.00 0.00 9LV 9LW C23H28N4O3 non-polymer 0.57 0.17 9LW 9LX C21F1H18N3O2 non-polymer 0.00 0.00 9LX 9LY C29F2H32N6O1 non-polymer 0.00 0.00 9LY 9LZ C45F1H51N8O18S2 non-polymer 0.68 0.26 9LZ 9M0 C22F1H13N2O4S1 non-polymer 0.00 0.00 9M0 9M1 C24F2H24N2O3 non-polymer 0.50 0.26 9M1 9M2 C24F1H28N5O1 non-polymer 0.20 0.10 9M2 9M3 C32H35N7O3 non-polymer 0.38 0.05 9M3 9M4 C29Cl1H36N3O3 non-polymer 0.00 0.00 9M4 9M6 C27H29N1O3S1 non-polymer 0.00 0.00 9M6 9M7 C23Cl2H28N2O2 non-polymer 0.00 0.00 9M7 9M8 C25F1H30N5O1 non-polymer 0.20 0.09 9M8 9M9 C17H17N3O1 non-polymer 0.00 0.00 9M9 9MA C22F2H19N3 non-polymer 0.00 0.00 9MA 9MB C17F2H11N1O3 non-polymer 0.00 0.00 9MB 9MC C27H29N1O3S1 non-polymer 0.00 0.00 9MC 9MD C26Cl2F1H28N3O2 non-polymer 0.00 0.00 9MD 9ME C16F1H10N1O2 non-polymer 0.00 0.00 9ME 9MG C6H7N5O1 non-polymer 0.00 0.00 9MG 9MH C18F1H14N3O3 non-polymer 0.00 0.00 9MH 9MJ C7H7N5O2 non-polymer 0.00 0.00 9MJ 9MK C17F1H12N1O2 non-polymer 0.00 0.00 9MK 9ML C27H31N1O3S1 non-polymer 0.00 0.00 9ML 9MM C28Cl1F3H24N2O3 non-polymer 0.00 0.00 9MM 9MN Br1C12H23N2O3 L-peptide linking 0.00 0.00 9MN 9MP C29F2H35N3O2 non-polymer 0.00 0.00 9MP 9MQ C30H36N6O6S1 non-polymer 0.00 0.00 9MQ 9MR C12H23N1O8 non-polymer 1.00 1.00 9MR 9MS C29Cl1F1H35N3O2 non-polymer 0.00 0.00 9MS 9MT C18H22N2O1S1 non-polymer 0.00 0.00 9MT 9MU C26H31N5O3S1 non-polymer 0.00 0.00 9MU 9MV Br1C24H21N2O5S2 non-polymer 0.00 0.00 9MV 9MW C43H58N6O6 non-polymer 0.38 0.18 9MW 9MX C28H38N6O6S1 non-polymer 0.00 0.00 9MX 9MY C29F2H35N3O3 non-polymer 0.00 0.00 9MY 9MZ C19F3H15N4O3S1 non-polymer 0.00 0.00 9MZ 9N0 C26H29N1O3S1 non-polymer 0.38 0.06 9N0 9N1 C29H37N3O3 non-polymer 0.00 0.00 9N1 9N2 C17F1H9N2O2 non-polymer 0.00 0.00 9N2 9N3 C25H29N1O3S1 non-polymer 0.38 0.07 9N3 9N4 C31H35N3O3 non-polymer 0.00 0.00 9N4 9N5 C19H21N3O4 non-polymer 0.83 0.54 9N5 9N7 C31F2H26N4O3S1 non-polymer 0.00 0.00 9N7 9N8 Br1C17F1H11N3O2 non-polymer 0.00 0.00 9N8 9N9 C27H36O3 non-polymer 0.50 0.07 9N9 9NA C28F2H34N4O4 non-polymer 0.00 0.00 9NA 9NB C10H11N1O2S1 non-polymer 0.62 0.21 9NB 9ND C27Cl1F2H24N3O1 non-polymer 0.00 0.00 9ND 9NE C17H20N2O6S1 L-peptide linking 0.68 0.38 9NE 9NF C21H22N2O4S1 L-peptide linking 0.20 0.11 9NF 9NG Br1C24H23N6O3S2 non-polymer 0.00 0.00 9NG 9NH C31F4H29N7O3 non-polymer 1.00 0.24 9NH 9NJ C29F1H35N4O5 non-polymer 0.00 0.00 9NJ 9NK C16H21N1O3S1 non-polymer 0.00 0.00 9NK 9NL C9F2H8O3 non-polymer 0.95 0.43 9NL 9NM C22F1H29N2O2 non-polymer 0.29 0.19 9NM 9NO C9F2H8O4 non-polymer 0.79 0.47 9NO 9NP C28H33N7O1 non-polymer 0.00 0.00 9NP 9NQ C21F3H25N6O2 non-polymer 0.00 0.00 9NQ 9NR C18H25N5O4S1 L-peptide linking 0.43 0.36 9NR 9NS C29H30N2O8 non-polymer 0.36 0.10 9NS 9NT C14H19N2O3 non-polymer 0.00 0.00 9NT 9NU C32H40N6O5 non-polymer 0.56 0.33 9NU 9NV C17H22N2O4S1 L-peptide linking 0.20 0.12 9NV 9NX Br1C17H15N4O2S1 non-polymer 0.00 0.00 9NX 9O0 C3F3H3O3 non-polymer 0.95 0.67 9O0 9O1 C25Cl1H23N2O2 non-polymer 0.31 0.27 9O1 9O2 C25H25N5O1 non-polymer 0.00 0.00 9O2 9O3 C3F3H3O4 non-polymer 0.79 0.70 9O3 9O4 C9H12N5O5P1 DNA linking 0.00 0.00 9O4 9O5 C26H26N4O1 non-polymer 0.00 0.00 9O5 9O6 C9F1H9O3 non-polymer 0.00 0.00 9O6 9O7 C9H14N5O12P3 non-polymer 1.00 0.28 9O7 9O9 C18H22N3O9P1 non-polymer 1.00 0.32 9O9 9OC C25H29N4O10P1 non-polymer 1.00 0.25 9OC 9OD C10H16O3 non-polymer 0.56 0.54 9OD 9OE C11H10N2O3S1 non-polymer 0.00 0.00 9OE 9OF C15H17N3O1 non-polymer 0.00 0.00 9OF 9OG C20H20N4 non-polymer 0.00 0.00 9OG 9OH C18H32O4 non-polymer 0.50 0.45 9OH 9OJ C21H22N4 non-polymer 0.00 0.00 9OJ 9OK C14H20O8 non-polymer 1.00 0.55 9OK 9OL C21H26N4 non-polymer 0.25 0.08 9OL 9OM C19H22N4 non-polymer 0.00 0.00 9OM 9ON C6H10O4 non-polymer 0.65 0.70 9ON 9OQ C49F1H55N8O16 non-polymer 0.68 0.26 9OQ 9OR C20H25N4O12P1 non-polymer 1.00 0.27 9OR 9OS C19H22N4O1 non-polymer 0.00 0.00 9OS 9OT C49F1H55N8O16 non-polymer 0.68 0.26 9OT 9OU C24H27N4O10P1 non-polymer 1.00 0.26 9OU 9P1 C19H22N4 non-polymer 0.20 0.13 9P1 9P2 C36H35N3O4 non-polymer 0.00 0.00 9P2 9P3 C19H24N4O11P1 non-polymer 1.00 0.57 9P3 9P4 C18F1H19N4 non-polymer 0.00 0.00 9P4 9P6 C25H32N4O3S1 non-polymer 0.39 0.15 9P6 9P7 C20H20N4 non-polymer 0.00 0.00 9P7 9P8 C27H40N4O16 non-polymer 1.00 0.72 9P8 9P9 C22F1H28N4O13P1 non-polymer 1.00 0.24 9P9 9PA C20H30N2O5 non-polymer 0.00 0.00 9PA 9PB C32H43N3O16 non-polymer 1.00 0.67 9PB 9PC C14Cl1F2H8N3O2S1 non-polymer 0.00 0.00 9PC 9PE C30H60N1O8P1 non-polymer 0.98 0.47 9PE 9PF C19F1H26N4O10P1 non-polymer 1.00 0.29 9PF 9PG C12H15N1O8 non-polymer 1.00 0.57 9PG 9PH C28H41N3O16 non-polymer 1.00 0.72 9PH 9PI H11O28P9 non-polymer 0.00 0.00 9PI 9PK C26H39N3O16S1 non-polymer 1.00 0.91 9PK 9PL C11H16N2O2 non-polymer 0.00 0.00 9PL 9PM C19Cl1H17N4 non-polymer 0.00 0.00 9PM 9PN C28H43N4O15 non-polymer 1.00 0.72 9PN 9PO C5H5N1O1 non-polymer 0.00 0.00 9PO 9PP C9H13N6O4P1 non-polymer 0.00 0.00 9PP 9PQ C24H26N2O3 non-polymer 0.00 0.00 9PQ 9PR C6H12N2O1 peptide-like 0.00 0.00 9PR 9PT C32H45N4O15 non-polymer 1.00 0.67 9PT 9PW C28H41N4O18 non-polymer 1.00 0.68 9PW 9PX C19H25N4O13P1 non-polymer 1.00 0.54 9PX 9PY C8H12O6 non-polymer 0.00 0.00 9PY 9Q0 C25H30N5O11P1 non-polymer 1.00 0.24 9Q0 9Q5 C30F3H30N3O11S1 non-polymer 1.00 0.46 9Q5 9Q6 C17H23N4O10P1 non-polymer 1.00 0.62 9Q6 9Q8 C3H3O6Ru1 non-polymer 0.00 0.00 9Q8 9Q9 C17F1H23N6O2 non-polymer 0.00 0.00 9Q9 9QA C23Cl1H24N3O3 non-polymer 0.00 0.00 9QA 9QB C3Cl1H4O5Ru1 non-polymer 0.00 0.00 9QB 9QD C32H42N6O4 non-polymer 0.00 0.00 9QD 9QF C17H23N4O11P1 non-polymer 1.00 0.61 9QF 9QG C10H18O8 non-polymer 1.00 0.94 9QG 9QJ C14H19N2O7P1 non-polymer 0.00 0.00 9QJ 9QK C16F1H10N1O2 non-polymer 0.00 0.00 9QK 9QN C21Cl2H23N3O4S1 non-polymer 0.00 0.00 9QN 9QO C21H28N8O2 non-polymer 1.00 0.48 9QO 9QQ C59Co1H83N13O15P1 non-polymer 1.00 0.11 9QQ 9QR C21H28N8O2 non-polymer 1.00 0.48 9QR 9QT C16Cl1F1H9N1O2 non-polymer 0.00 0.00 9QT 9QV C9H14N2O12P2 RNA linking 1.00 0.40 9QV 9QW C26Cl2H24N6O4 non-polymer 0.36 0.11 9QW 9QY C20Cl1H19N2O4 non-polymer 0.97 0.15 9QY 9QZ C12H22O26S5 non-polymer 1.00 0.53 9QZ 9R0 C28Cl2H25N3O4S1 non-polymer 0.00 0.00 9R0 9R1 C8H15N1O4 L-peptide linking 0.00 0.00 9R1 9R2 C22H42O7 non-polymer 1.00 0.55 9R2 9R3 C29Cl2H27N3O4S1 non-polymer 0.00 0.00 9R3 9R4 C9H16N2O5 L-peptide linking 0.93 1.00 9R4 9R5 C9Cl1H10N1O2 non-polymer 0.00 0.00 9R5 9R7 C7H12N2O5 L-peptide linking 0.59 1.00 9R7 9R8 C27H28N4O3 non-polymer 0.50 0.12 9R8 9R9 C13Cl1H15N2O1 non-polymer 0.00 0.00 9R9 9RA C24H28O2 non-polymer 0.25 0.08 9RA 9RB C15H17N5O2 non-polymer 0.29 0.23 9RB 9RC C16H18N3O10P1 non-polymer 1.00 0.57 9RC 9RD C6H12N2Pt1 non-polymer 0.00 0.00 9RD 9RF C19F3H15N2O3S2 non-polymer 0.00 0.00 9RF 9RH C8F3H7O2 non-polymer 0.00 0.00 9RH 9RK C14H13N1O4 non-polymer 0.00 0.00 9RK 9RL C18Cl1H18N3O1 non-polymer 0.00 0.00 9RL 9RM C11F3H9N4O1 non-polymer 0.00 0.00 9RM 9RN C6H10O5 non-polymer 1.00 0.91 9RN 9RO C32H46O4 non-polymer 0.25 0.06 9RO 9RP C16H12N4O1 non-polymer 0.00 0.00 9RP 9RQ C18H17O8P1S1 non-polymer 0.00 0.00 9RQ 9RR C27H32N8O2 non-polymer 0.83 0.14 9RR 9RS C25H22N6O2 non-polymer 0.00 0.00 9RS 9RT C13H15N3O2S1 non-polymer 0.00 0.00 9RT 9RU C31Cl2H41N5O2Ru1S1 non-polymer 0.00 0.00 9RU 9RV C22H23N5O2 non-polymer 0.00 0.00 9RV 9RW C9H10O2 non-polymer 0.46 0.73 9RW 9RY C23H19N7O2 non-polymer 0.00 0.00 9RY 9RZ C26H31N5O5 non-polymer 0.50 0.11 9RZ 9S0 C17H17N5O5 non-polymer 0.00 0.00 9S0 9S1 C24H21N7O2 non-polymer 0.00 0.00 9S1 9S3 C30H35N3O1 non-polymer 0.00 0.00 9S3 9S4 C11F1H17N1O7 non-polymer 1.00 0.80 9S4 9S6 C30H36N2O2 non-polymer 0.36 0.12 9S6 9S7 C11F1H18N1O7 non-polymer 1.00 0.95 9S7 9S8 FE4S4 non-polymer 0.00 0.00 9S8 9SB Br1C2H5O3S1 non-polymer 0.00 0.00 9SB 9SC C23Cl2H27N3O2 non-polymer 0.00 0.00 9SC 9SD C11F1H17N1O7 non-polymer 1.00 0.95 9SD 9SE C6H9N1O4Se1 non-polymer 0.00 0.00 9SE 9SG C11F2H17N1O7 non-polymer 1.00 0.90 9SG 9SJ C11F1H18N1O7 non-polymer 1.00 0.80 9SJ 9SK C30F5H28N3O11S1 non-polymer 1.00 0.44 9SK 9SL C10H17N7O4 non-polymer 0.00 0.00 9SL 9SM C11F2H17N1O7 non-polymer 1.00 0.76 9SM 9SN C17F1H18N6O8P1 non-polymer 1.00 0.42 9SN 9SP C11F2H17N1O7 non-polymer 1.00 0.90 9SP 9SQ C7Fe2H5N3O3Se2 non-polymer 0.00 0.00 9SQ 9SR C11H17N3O8 non-polymer 1.00 1.00 9SR 9ST Br1C17H21N4O1 non-polymer 0.00 0.00 9ST 9SU C20Cl1H23N4O1 non-polymer 0.00 0.00 9SU 9SV C21H20N2O2S1 non-polymer 0.00 0.00 9SV 9SW C21H41O6P1 non-polymer 0.54 0.36 9SW 9SZ C42H32O8P2 non-polymer 0.00 0.00 9SZ 9T0 C25Cl2F3H25N3O11P1 non-polymer 0.46 0.20 9T0 9T1 C11F1H16N1O7 non-polymer 1.00 0.95 9T1 9T2 C16F1H12N3O4S2 non-polymer 1.00 0.54 9T2 9T6 C18H22N4O2 non-polymer 0.00 0.00 9T6 9T7 C11F2H17N1O7 non-polymer 1.00 0.90 9T7 9T8 C8H21N3O1 non-polymer 0.20 0.25 9T8 9T9 C29F1H28N5O4S1 non-polymer 0.00 0.00 9T9 9TA C14H8O2 non-polymer 0.00 0.00 9TA 9TB C19F1H24N3O8 non-polymer 0.68 0.61 9TB 9TD C19H20N3O8P1 non-polymer 0.93 0.13 9TD 9TE C17H18N2O4S1 non-polymer 0.00 0.00 9TE 9TG B1C15H16N1O5S1 non-polymer 0.00 0.00 9TG 9TH C28Cl1H31Ir1N3O4S2 non-polymer 0.00 0.00 9TH 9TJ B1C17H17N4O5S1 non-polymer 0.00 0.00 9TJ 9TK C5H6N2O2 non-polymer 0.00 0.00 9TK 9TL C41H78N1O8P1 non-polymer 0.98 0.61 9TL 9TM C11F1H17N1O7 non-polymer 1.00 0.95 9TM 9TN C30H44O11 non-polymer 1.00 0.54 9TN 9TO C19H16N6O1 non-polymer 0.00 0.00 9TO 9TP C32H32O13S1 non-polymer 1.00 0.26 9TP 9TQ C29H30N2O11S1 non-polymer 1.00 0.28 9TQ 9TR C14H19N5O4 peptide linking 0.00 0.00 9TR 9TS C5H8O2 non-polymer 0.60 1.00 9TS 9TT C9H10N2 non-polymer 0.00 0.00 9TT 9TU C16F3H19N4O4 peptide linking 0.00 0.00 9TU 9TV C20H21N5O1 non-polymer 0.00 0.00 9TV 9TW C7Cl1F1H5N1O1 non-polymer 0.00 0.00 9TW 9TX C16H20N2O4 peptide linking 0.00 0.00 9TX 9TY C5H6O4 non-polymer 0.00 0.00 9TY 9TZ C8F1H7O2 non-polymer 0.00 0.00 9TZ 9U0 C15H26N2O4 peptide linking 0.00 0.00 9U0 9U2 C7H9N1O1S1 non-polymer 0.00 0.00 9U2 9U3 C6H16N2 non-polymer 0.30 0.75 9U3 9U4 C27F2H33N7O2 non-polymer 0.00 0.00 9U4 9U5 C23H23N1O2 non-polymer 0.36 0.15 9U5 9U6 C13H18N2O4Se1 peptide linking 0.00 0.00 9U6 9U7 C25H30N6O2 non-polymer 0.00 0.00 9U7 9U8 C34H42N4O7S1 non-polymer 0.58 0.17 9U8 9U9 C17H26N2O4 peptide linking 0.00 0.00 9U9 9UA C26F2H30N6O2 non-polymer 0.00 0.00 9UA 9UB C29H51N1O11P2 non-polymer 1.00 0.84 9UB 9UC C14H19N3O6 peptide linking 0.00 0.00 9UC 9UD C27F2H32N6O2 non-polymer 0.00 0.00 9UD 9UE Br1C36H45N4O6 non-polymer 0.00 0.00 9UE 9UF C13H20N4O4 peptide linking 0.00 0.00 9UF 9UG C12H16N2O2 non-polymer 0.00 0.00 9UG 9UL C13H14N2 non-polymer 0.00 0.00 9UL 9UM Br1C10H11N2O2 non-polymer 0.00 0.00 9UM 9UN C22H22N4O7 non-polymer 0.00 0.00 9UN 9UO C14Cl1F6H13N6 non-polymer 0.29 0.15 9UO 9UP C13H13N3O2 non-polymer 0.00 0.00 9UP 9UQ C13H16N2O2 non-polymer 0.00 0.00 9UQ 9UT C3H3N1O2S1 non-polymer 0.00 0.00 9UT 9UW C3H2N2O1S1 non-polymer 0.00 0.00 9UW 9UX H6O2S2 non-polymer 0.00 0.00 9UX 9UY C33H38N4O6 non-polymer 0.38 0.05 9UY 9UZ C5H7N1O2 non-polymer 0.00 0.00 9UZ 9V0 C14H19N5O4 peptide linking 0.00 0.00 9V0 9V1 C33H40N4O6 non-polymer 0.38 0.05 9V1 9V2 C7H11N1O2 non-polymer 0.00 0.00 9V2 9V5 C12Cl1H8N1O4S1 non-polymer 0.00 0.00 9V5 9V6 C14Cl1H19N2O4 peptide linking 0.00 0.00 9V6 9V7 C7H7N1O2 non-polymer 0.00 0.00 9V7 9V8 C23F6H19N5O3 non-polymer 0.00 0.00 9V8 9V9 C11H15N2O8P1S1 RNA linking 1.00 0.48 9V9 9VA C8H13N3O3 non-polymer 0.00 0.00 9VA 9VC C14H20N2O4 peptide linking 0.00 0.00 9VC 9VD C4H9N1O2 non-polymer 0.61 1.00 9VD 9VE C32Cl2F2H34N3O8S1 non-polymer 0.50 0.08 9VE 9VF C11H24N2O4Si1 peptide linking 0.00 0.00 9VF 9VG C29H19N1O7 non-polymer 0.97 0.16 9VG 9VH C6H13N1O5S1 non-polymer 0.00 0.00 9VH 9VK C24H31N1O3S1 non-polymer 0.56 0.17 9VK 9VL Br1C14H19N2O4 peptide linking 0.00 0.00 9VL 9VN C24H31N1O3S1 non-polymer 0.56 0.17 9VN 9VP C11F1H18N1O7 non-polymer 1.00 0.95 9VP 9VQ C11H12N2O1 non-polymer 0.00 0.00 9VQ 9VR C16F3H19N4O4 peptide linking 0.00 0.00 9VR 9VS C38H43N7O3 non-polymer 0.00 0.04 9VS 9VT C10H15N5S1 non-polymer 0.00 0.00 9VT 9VU Br1C18H14N1O5 non-polymer 0.00 0.00 9VU 9VW C13H19N3O1 non-polymer 0.00 0.00 9VW 9VY C32F2H24N4O5S1 non-polymer 0.50 0.09 9VY 9VZ C11H15N1O2S1 non-polymer 0.58 0.53 9VZ 9W1 C20H22N6O3 non-polymer 0.00 0.00 9W1 9W2 C11H16N4O1 non-polymer 0.00 0.00 9W2 9W4 C22H19N5O4S1 non-polymer 0.00 0.00 9W4 9W5 C11H13N3 non-polymer 0.00 0.00 9W5 9W6 C15H12N4O4S2 non-polymer 0.61 0.32 9W6 9W7 C14Cl1F1H11N1O4 non-polymer 0.00 0.00 9W7 9W8 C16H20N4O1 non-polymer 0.00 0.00 9W8 9WA C31Cl1F3H24N6O2 non-polymer 0.00 0.00 9WA 9WB C13H13N1O1 non-polymer 0.00 0.00 9WB 9WD C32Cl1H33N6O3 non-polymer 0.00 0.00 9WD 9WE C16H20N6O1 non-polymer 0.00 0.00 9WE 9WG C18F1H15N4O1 non-polymer 0.00 0.00 9WG 9WH C17Cl1F1H16N8S1 non-polymer 0.00 0.00 9WH 9WJ C8H15N1O5 non-polymer 1.00 1.00 9WJ 9WK C19Cl1F1H18N4O1 non-polymer 0.00 0.00 9WK 9WM C11F1H17N1O7 non-polymer 1.00 0.95 9WM 9WN C9H16O9 non-polymer 1.00 1.00 9WN 9WO C22H22N6O1 non-polymer 0.00 0.00 9WO 9WP C24F3H25N2O3 non-polymer 0.00 0.00 9WP 9WR C22H21N1O5 non-polymer 0.00 0.00 9WR 9WS C14Cl1H10N3O1 non-polymer 0.00 0.00 9WS 9WT C19H25N6O5S2 non-polymer 0.50 0.22 9WT 9WV C6H13N3O3 L-peptide linking 0.00 0.00 9WV 9WX C23H25N5O6S1 non-polymer 0.61 0.20 9WX 9WY C17H21N4O9P1 non-polymer 1.00 0.32 9WY 9WZ C14H20O8 non-polymer 1.00 0.55 9WZ 9X0 C17H19N1O3 non-polymer 0.00 0.00 9X0 9X1 C46Cl2H38N4 non-polymer 0.00 0.00 9X1 9X3 C13H20N2O1 non-polymer 0.00 0.00 9X3 9X4 C25H25N5O3 non-polymer 0.50 0.21 9X4 9X5 C15H13N1 non-polymer 0.00 0.00 9X5 9X6 C4H6O4S1 non-polymer 0.00 0.00 9X6 9X7 C5H8O3 non-polymer 0.95 1.00 9X7 9X8 C17H25N5O14P2S1 non-polymer 1.00 0.59 9X8 9X9 C11H13N9O2 non-polymer 1.00 0.64 9X9 9XA C23Cl1H31N6O3S1 non-polymer 0.38 0.06 9XA 9XB C35H61N1O7 non-polymer 0.20 0.07 9XB 9XC C12H15N9O3 non-polymer 1.00 0.58 9XC 9XE C23F3H17N2O3 non-polymer 0.00 0.00 9XE 9XF C14H13N7O2 non-polymer 1.00 0.61 9XF 9XG C13H13N1 non-polymer 0.00 0.00 9XG 9XH C29F2H30N4O2 non-polymer 0.00 0.00 9XH 9XJ C17Cl1H19N6O1 non-polymer 0.00 0.00 9XJ 9XK C22H18N4O2S3 non-polymer 0.00 0.00 9XK 9XN H4N1O2P1S1 non-polymer 0.00 0.00 9XN 9XP C15Cl1H17N6 non-polymer 0.39 0.23 9XP 9XQ C8H10N3O2 non-polymer 0.00 0.00 9XQ 9XT C16H15N7O1 non-polymer 0.00 0.00 9XT 9XV C16Cl1H18N5 non-polymer 0.39 0.23 9XV 9XW C19H26N4O4S1 non-polymer 0.00 0.00 9XW 9XX C38H74O4 non-polymer 0.83 0.31 9XX 9XY C25H27N1O2 non-polymer 0.50 0.18 9XY 9XZ C11H10N6S1 non-polymer 0.00 0.00 9XZ 9Y0 C39H76N1O8P1 non-polymer 0.98 0.51 9Y0 9Y1 C14F4H7N3O2S1 non-polymer 0.00 0.00 9Y1 9Y2 C16F2H17N3O2S1 non-polymer 0.38 0.08 9Y2 9Y3 C9H8O1 non-polymer 0.42 0.40 9Y3 9Y5 C16Cl1H12N3O2S1 non-polymer 0.00 0.00 9Y5 9Y6 C9H8O1 non-polymer 0.42 0.40 9Y6 9Y7 C20F2H14N4O5S2 non-polymer 0.00 0.00 9Y7 9Y8 C16F1H12N3O2S1 non-polymer 0.00 0.00 9Y8 9Y9 C25F1H33N2O5S1 non-polymer 0.56 0.15 9Y9 9YA C30H26N4O4S2 non-polymer 0.00 0.00 9YA 9YB C30H32N4O5 non-polymer 0.40 0.28 9YB 9YD C13F2H7N3O3S1 non-polymer 0.00 0.00 9YD 9YE C23H25N1O3 non-polymer 0.62 0.37 9YE 9YF C44H85O13P1 non-polymer 1.00 0.45 9YF 9YG C18H20N6 non-polymer 0.39 0.21 9YG 9YH C22H28N2O6S1 non-polymer 0.64 0.39 9YH 9YJ C15Cl1H16N5S1 non-polymer 0.39 0.23 9YJ 9YK C21H26N2O6S1 non-polymer 0.64 0.40 9YK 9YL C5H10O3 non-polymer 0.98 1.00 9YL 9YM C14H24N3O8P1 non-polymer 1.00 0.42 9YM 9YN C16H25N7O4 non-polymer 1.00 0.37 9YN 9YO C19Cl1H18N3O2S1 non-polymer 0.00 0.00 9YO 9YP C12H21N5O9P2 non-polymer 0.61 0.32 9YP 9YQ C30H29N7O3 non-polymer 0.00 0.00 9YQ 9YS C23H23N5O2S1 non-polymer 1.00 0.35 9YS 9YT C6H12N2O3 non-polymer 0.54 1.00 9YT 9YV C26H30N6O2 non-polymer 1.00 0.32 9YV 9YW C8H14O8 non-polymer 1.00 0.75 9YW 9YY C21H19N5O2 non-polymer 1.00 0.39 9YY 9YZ C13H16N2O3 non-polymer 0.00 0.00 9YZ 9Z0 Br2C8H10N2O2 non-polymer 0.61 0.50 9Z0 9Z1 C23H23N5O4 non-polymer 0.38 0.19 9Z1 9Z2 C13H13N3O1 non-polymer 0.00 0.00 9Z2 9Z3 C12H23N2O9P1S1 non-polymer 0.62 0.80 9Z3 9Z4 C18H19N5O2 non-polymer 0.00 0.00 9Z4 9Z6 C15H28N3O11P1S2 non-polymer 0.62 0.62 9Z6 9Z7 C24H25N5O4 non-polymer 0.38 0.18 9Z7 9Z8 C14H20N2O2S1 non-polymer 0.00 0.00 9Z8 9Z9 C34H56O5 non-polymer 0.75 0.21 9Z9 9ZA C14H21N6O8P1 non-polymer 1.00 0.62 9ZA 9ZB C13H18N2O1 non-polymer 0.00 0.00 9ZB 9ZC C21H23N3O4 non-polymer 0.00 0.00 9ZC 9ZD C14H21N6O8P1 non-polymer 1.00 0.62 9ZD 9ZE C10H10O3 non-polymer 0.62 0.23 9ZE 9ZF C17F3H19N2O1 non-polymer 0.00 0.00 9ZF 9ZJ C15Cl1F3H13N1O1 non-polymer 0.00 0.10 9ZJ 9ZK C38H51N5O6 non-polymer 0.00 0.00 9ZK 9ZM C31Cl1F1H26N10O4 non-polymer 0.29 0.11 9ZM 9ZP C25H32N8O2 non-polymer 0.00 0.00 9ZP 9ZQ C44H30N8Ru1 non-polymer 0.00 0.00 9ZQ 9ZS C16Cl2H12N4O1 non-polymer 0.00 0.00 9ZS 9ZT C15H18O7 non-polymer 0.00 0.00 9ZT 9ZV C20H16N4O3 non-polymer 0.00 0.00 9ZV 9ZY C20Cl1H13N2O4 non-polymer 0.00 0.00 9ZY 9ZZ C20H8I4O5 non-polymer 0.00 0.00 9ZZ A C10H14N5O7P1 RNA linking 1.00 0.43 A A00 C33H44N4O6S1 non-polymer 0.00 0.00 A00 A01 B1C10H15N1O6 non-polymer 0.00 0.00 A01 A02 C40H70N18O9 peptide-like 1.00 0.16 A02 A03 C37H63N17O9 peptide-like 1.00 0.17 A03 A04 C12F3H7O4 non-polymer 0.00 0.00 A04 A05 C11Cl1H6N1O5 non-polymer 0.00 0.00 A05 A06 C17Cl2H14N2O2 non-polymer 0.00 0.00 A06 A07 C17Cl1H16N3O1 non-polymer 0.00 0.00 A07 A08 C13Cl2H8N2 non-polymer 0.00 0.00 A08 A09 C6H7N1O3S1 non-polymer 0.00 0.00 A09 A0A C5H7N1O5 non-polymer 0.84 0.82 A0A A0B Br4C20Cl4H3O5 non-polymer 0.00 0.00 A0B A0C C11H12N4O2S1 non-polymer 0.00 0.00 A0C A0D C17H28N2O1 non-polymer 0.00 0.00 A0D A0G C3H5N1O3 L-peptide linking 0.93 1.00 A0G A0H C24Cl1H25N6O3S1 non-polymer 0.00 0.00 A0H A0J C20H19N3O1 non-polymer 0.00 0.00 A0J A0K C9H18O8 non-polymer 1.00 1.00 A0K A0L C31H34N6O4 non-polymer 0.38 0.05 A0L A0P C10H17N6O12P3 non-polymer 1.00 0.32 A0P A0Q C24H26N4O2 non-polymer 0.00 0.00 A0Q A0R C16H14O4 non-polymer 0.33 0.20 A0R A0S Br1C21F1H16N2O3 non-polymer 0.00 0.00 A0S A0T C19F4H21N5O3 non-polymer 0.00 0.00 A0T A0V B1C4H7N3O7P1 non-polymer 0.00 0.00 A0V A0W C19H27N3O6 non-polymer 1.00 0.57 A0W A0Y B1C9F3H10N5O7P1S1 non-polymer 0.00 0.00 A0Y A11 C13Cl1H18N3O2 non-polymer 0.00 0.00 A11 A12 C11H17N5O9P2 non-polymer 1.00 0.37 A12 A13 C6F3H6N3 non-polymer 0.00 0.00 A13 A14 C15H22N2O6S1 non-polymer 0.00 0.00 A14 A15 C24Cl2H14O4 non-polymer 0.00 0.00 A15 A16 C19H35N1O13 non-polymer 1.00 1.00 A16 A17 C26H23N3O1 non-polymer 0.00 0.00 A17 A18 C12Cl1H9O3 non-polymer 0.00 0.00 A18 A19 Br1C13Cl1H9N1O4S1 non-polymer 0.00 0.00 A19 A1A C33H40N4O6 non-polymer 0.00 0.00 A1A A1B B1C5H10O6 non-polymer 1.00 0.75 A1B A1C C20Cl1H23N2O3S1 non-polymer 0.00 0.00 A1C A1E C32H44N4O1 non-polymer 0.00 0.00 A1E A1F C20F1H23N2O3S1 non-polymer 0.00 0.00 A1F A1G C12H19N1O2 non-polymer 0.00 0.00 A1G A1H C13H14N8O2 non-polymer 0.00 0.00 A1H A1J B1C9H13N1O9P1S1 non-polymer 0.00 0.00 A1J A1K C19Cl1H21N6O3 non-polymer 0.00 0.00 A1K A1L C24H31N9O3 non-polymer 0.31 0.17 A1L A1M B1C8H11N5O7P1S1 non-polymer 0.00 0.00 A1M A1N C21H25N5O2 non-polymer 0.00 0.00 A1N A1O C20H24N2O3S1 non-polymer 0.00 0.00 A1O A1P C10H14N5O5P1 DNA linking 1.00 0.43 A1P A1Q C8H16O7 D-saccharide 1.00 0.93 A1Q A1R C15H24N6O12P2 non-polymer 1.00 0.63 A1R A1S C26H46N7O16P3S1 non-polymer 1.00 0.43 A1S A1T C41H49N5O2 non-polymer 0.00 0.00 A1T A1U C6H8N2O1 non-polymer 0.00 0.00 A1U A1V C20H12N6O4S4 non-polymer 0.00 0.00 A1V A1X C10H20N2O4 non-polymer 0.75 0.94 A1X A1Y C12H15N3O1 non-polymer 0.00 0.00 A1Y A1Z C14Cl1H11N2O4 non-polymer 0.81 0.33 A1Z A20 C3H9N1O3S1 non-polymer 0.00 0.00 A20 A21 C13F4H12N2O1S1 non-polymer 0.00 0.00 A21 A22 C20H27N10O16P3 non-polymer 1.00 0.47 A22 A23 C10H13N5O9P2 RNA linking 1.00 0.38 A23 A24 C19H27N3O10 non-polymer 1.00 0.38 A24 A25 C16Cl1H17N4O3 non-polymer 0.00 0.00 A25 A26 C12F3H9N2O2 non-polymer 0.75 0.16 A26 A27 C23H21N3O2 non-polymer 0.00 0.00 A27 A28 C17F2H15N3O1 non-polymer 0.00 0.00 A28 A29 C8H6O4 non-polymer 0.45 0.67 A29 A2B B1C5H10O7 non-polymer 1.00 0.77 A2B A2C C18H20N6O2 non-polymer 0.30 0.23 A2C A2D C20H26N10O13P2 non-polymer 1.00 0.51 A2D A2E C32H44N4O1 non-polymer 0.00 0.00 A2E A2F C5F1H4N5 non-polymer 0.00 0.00 A2F A2G C8H15N1O6 D-saccharide 1.00 1.00 A2G A2H B1C20Cl1H22N6O9P1 non-polymer 1.00 0.26 A2H A2I C21H21N3O2S1 non-polymer 0.00 0.00 A2I A2J C9F3H5N2O1 non-polymer 0.00 0.00 A2J A2K C35H37N1O2 non-polymer 0.35 0.13 A2K A2L C13H20N5O8P1 RNA linking 1.00 0.52 A2L A2M C11H16N5O7P1 RNA linking 1.00 0.42 A2M A2N C17H26N6O14P2 non-polymer 1.00 0.59 A2N A2O C19H22N2O3S1 non-polymer 0.00 0.00 A2O A2P C10H15N5O10P2 non-polymer 1.00 0.37 A2P A2Q C6H8O1 non-polymer 0.00 0.00 A2Q A2R C15H24N5O17P3 non-polymer 1.00 0.57 A2R A2T C35H48N4O1 non-polymer 0.00 0.00 A2T A2V C20F2H22N2O3S1 non-polymer 0.00 0.00 A2V A2W C19F1H15N4 non-polymer 0.00 0.00 A2W A2X C20H19N3O1S2 non-polymer 0.00 0.00 A2X A2Y C18H23N2O1S1 non-polymer 0.00 0.00 A2Y A2Z C12H11N1O3 non-polymer 0.00 0.00 A2Z A31 C44H76N6O8S1 non-polymer 0.88 0.22 A31 A32 C20H29N3O10 non-polymer 1.00 0.36 A32 A33 C6H9N1O6 non-polymer 0.93 1.00 A33 A34 C11H16N5O6P1 DNA linking 1.00 0.39 A34 A35 C11H17N6O6P1 DNA linking 1.00 0.38 A35 A36 C13F1H21N2O2S1 non-polymer 0.00 0.00 A36 A37 C13Cl3H7N2O3S1 non-polymer 0.00 0.00 A37 A38 C10H14N5O7P1 DNA linking 1.00 0.39 A38 A39 C11H16N5O7P1 RNA linking 1.00 0.42 A39 A3A C10H14N5O6P1 DNA linking 1.00 0.41 A3A A3B C4H7N1O2 non-polymer 0.44 1.00 A3B A3C C19H37N1O7P2 non-polymer 0.50 0.17 A3C A3D C22H28N6O14P2 non-polymer 1.00 0.59 A3D A3E C21H26N6O1 non-polymer 0.36 0.14 A3E A3F C20H20N2O4 non-polymer 0.00 0.00 A3F A3G C12H17N7O4 non-polymer 1.00 0.43 A3G A3H C19H16N6 non-polymer 0.00 0.00 A3H A3J C16F3H17N4O1 non-polymer 0.00 0.00 A3J A3K C15H12N4 non-polymer 0.00 0.00 A3K A3M C9H18N2O1 non-polymer 0.00 0.00 A3M A3N C13H16N6O3 non-polymer 1.00 0.45 A3N A3P C10H15N5O10P2 RNA linking 1.00 0.37 A3P A3Q C14H9N3O1 non-polymer 0.00 0.00 A3Q A3R C15H24N6O11P2 non-polymer 1.00 0.53 A3R A3S C13H19N7O5 non-polymer 1.00 0.40 A3S A3T C14H21N7O5 non-polymer 1.00 0.38 A3T A3V C16H25N1O2 non-polymer 0.00 0.00 A3V A3W C17F3H20N7O2 non-polymer 0.00 0.00 A3W A3Y C19F3H26N5O2 non-polymer 0.00 0.00 A3Y A40 C11H17N6O6P1 DNA linking 1.00 0.38 A40 A41 C14H13N1O4S1 non-polymer 0.00 0.00 A41 A42 C14Cl1H12N5O3 non-polymer 0.00 0.00 A42 A43 C10H15N6O5P1 DNA linking 1.00 0.41 A43 A44 C13H20N5O8P1 RNA linking 1.00 0.52 A44 A45 C11H8N6O3 non-polymer 0.00 0.00 A45 A46 C17Cl1H15N2O3 non-polymer 0.00 0.00 A46 A47 C11H16N5O7P1 DNA linking 1.00 0.38 A47 A48 B1C26F3H29N1O1 non-polymer 0.00 0.00 A48 A49 C23F3H30N3O3 non-polymer 0.33 0.22 A49 A4A C16H9N1O3 non-polymer 0.00 0.00 A4A A4B C14Cl1H14N1O1 non-polymer 0.00 0.00 A4B A4C C42H50N8O2 non-polymer 0.45 0.29 A4C A4D C10H13N5O3S1 non-polymer 1.00 0.47 A4D A4E C30F1H43N5O3 non-polymer 0.00 0.00 A4E A4F C20H13N1O5 non-polymer 0.00 0.00 A4F A4G C13H18N4O1 non-polymer 0.00 0.00 A4G A4H C17H22O4 non-polymer 0.95 0.19 A4H A4J C16F3H19N4O3 non-polymer 0.00 0.00 A4J A4K C15F3H15O4 non-polymer 0.50 0.23 A4K A4L C46Cl1H73N11O7 non-polymer 0.43 0.51 A4L A4M C26H38N10O1 non-polymer 0.00 0.00 A4M A4N C14Cl1H14N1 non-polymer 0.00 0.00 A4N A4P C17H24N10O17P4 non-polymer 1.00 0.21 A4P A4Q C15Cl1H16N1 non-polymer 0.00 0.00 A4Q A4R C26H39N5O1S1 non-polymer 0.00 0.00 A4R A4S C16H25N1O7P2 non-polymer 0.62 0.38 A4S A4T C13Cl1F1H11N1 non-polymer 0.00 0.00 A4T A4V C12H12N5 non-polymer 0.00 0.00 A4V A4W C9Cl1F1H9N1O1S1 non-polymer 0.00 0.00 A4W A4X C27F2H39N5O1S1 non-polymer 0.00 0.00 A4X A4Y C17H28N4O11P2S1 non-polymer 0.71 0.29 A4Y A4Z C12H17N1O3 non-polymer 0.00 0.00 A4Z A50 C26H31N1O3S1 non-polymer 0.00 0.00 A50 A51 C11H11N1O2 non-polymer 0.00 0.00 A51 A52 B1C20H23N6O9P1 non-polymer 1.00 0.27 A52 A53 C29H25N5O2 non-polymer 0.00 0.00 A53 A54 C16Cl1H15N2O1 non-polymer 0.00 0.00 A54 A55 C15F2H14N4O2 non-polymer 0.00 0.00 A55 A56 Br1C13H10N5 non-polymer 0.00 0.00 A56 A57 C17H26N3 non-polymer 0.00 0.00 A57 A58 C25H27N3O2 non-polymer 0.00 0.00 A58 A59 C26H29N1O3S1 non-polymer 0.25 0.06 A59 A5A C13H19N7O7S1 non-polymer 1.00 0.61 A5A A5B C27Cl1F1H20N4O4 non-polymer 0.00 0.00 A5B A5C C6H12O6 L-saccharide 1.00 1.00 A5C A5D C17H19N5O3S2 non-polymer 1.00 0.33 A5D A5E C8H8N2O1S1 non-polymer 0.00 0.00 A5E A5F C20H23N3O4 non-polymer 0.38 0.41 A5F A5H C11Cl1H9N2S1 non-polymer 0.00 0.00 A5H A5J C10H18N3O15P3 non-polymer 1.00 0.39 A5J A5K C11Cl1F3H13N3 non-polymer 0.00 0.00 A5K A5L C10F1H13N5O6P1 DNA linking 1.00 0.39 A5L A5M C9H15N4O7P1 RNA linking 1.00 0.48 A5M A5N C5H8N2O5 L-peptide linking 0.00 0.00 A5N A5O C10H14N5O7P1 RNA linking 1.00 0.43 A5O A5P C5H13O8P1 non-polymer 1.00 0.71 A5P A5Q C9F3H6N3S1 non-polymer 0.00 0.00 A5Q A5R C11H23N4O3 peptide-like 0.00 0.00 A5R A5T C33Cl3F2H32N3O2 non-polymer 0.00 0.00 A5T A5U C11H22N2O4 non-polymer 0.56 1.00 A5U A5V C16H25N1O2 non-polymer 0.00 0.00 A5V A5W C17H23N1O2 non-polymer 0.00 0.00 A5W A5X C14H24N4O10P3S1 non-polymer 0.00 0.00 A5X A5Y C21F1H17N4O2S1 non-polymer 0.00 0.00 A5Y A5Z C11Cl2H9N1O2 non-polymer 0.00 0.00 A5Z A60 C29H41N3O7S1 non-polymer 0.00 0.00 A60 A61 C30H39N3O7S2 non-polymer 0.00 0.00 A61 A62 C21Cl2H23N1O3 non-polymer 0.00 0.00 A62 A63 C16H12O3 non-polymer 0.00 0.00 A63 A64 C18H16O2 non-polymer 0.00 0.00 A64 A65 C6H9N1O1S3 non-polymer 1.00 0.64 A65 A66 C15H24N8O3 L-peptide linking 0.00 0.00 A66 A68 C29H43N3O6S1 non-polymer 0.00 0.00 A68 A69 C33H33N3O5S2 non-polymer 0.00 0.00 A69 A6A C11H16N5O7P1 RNA linking 1.00 0.46 A6A A6B C27H44N4O3S1 non-polymer 0.00 0.00 A6B A6C C10H16N3O8P1 RNA linking 1.00 0.50 A6C A6D C17H18N6O5S2 non-polymer 1.00 0.30 A6D A6E C13F1H16N1O2S1 non-polymer 0.00 0.00 A6E A6G C11H16N5O8P1 RNA linking 1.00 0.44 A6G A6H C11Cl2H8N2O1 non-polymer 0.00 0.00 A6H A6J C28F8H28N2O15S2 non-polymer 1.00 0.65 A6J A6K C21Cl2H24N2O2 non-polymer 0.00 0.00 A6K A6L C21H40O4 non-polymer 0.98 0.64 A6L A6M C21Cl2H24N2O2 non-polymer 0.00 0.00 A6M A6N C15H16N4O3S1 non-polymer 0.00 0.00 A6N A6P C6H13O9P1 non-polymer 1.00 0.75 A6P A6R As1C4H8N2O4Pt1 non-polymer 0.00 0.00 A6R A6S C28F1H30N3O1 non-polymer 0.00 0.00 A6S A6T C33Cl3F2H32N3O2 non-polymer 0.00 0.00 A6T A6U C10H15N2O9P1 RNA linking 1.00 0.50 A6U A6V C19H29N1O2 non-polymer 0.00 0.00 A6V A6W C10H9N1O2S2 non-polymer 0.97 0.27 A6W A6Z C12Cl1H15N3 non-polymer 0.00 0.00 A6Z A70 C42H70N6O5 non-polymer 0.00 0.00 A70 A71 C6H25N5Pt1 non-polymer 0.00 0.00 A71 A72 C12H36N4Pt1 non-polymer 0.00 0.00 A72 A73 Br1C15H9O2 non-polymer 0.00 0.00 A73 A74 C20Cl2H15N3O5S1 non-polymer 0.00 0.00 A74 A75 C17H17N1O4S1 non-polymer 0.00 0.00 A75 A76 C44H58N8O6 non-polymer 0.50 0.59 A76 A77 C44H58N8O6 non-polymer 0.50 0.59 A77 A78 C44H60N8O5 non-polymer 0.00 0.00 A78 A79 C44H58N8O6 non-polymer 0.50 0.59 A79 A7B C11H11N1O2 non-polymer 0.00 0.00 A7B A7C Br1C18H20N8O7P1 RNA linking 1.00 0.29 A7C A7D C14H21N5O5S1 non-polymer 1.00 0.36 A7D A7E C12H14N5O7P1 RNA linking 1.00 0.40 A7E A7H C10H11N1O1S1 non-polymer 0.00 0.00 A7H A7I C15Cl1H24N3O3S2 non-polymer 0.36 0.17 A7I A7K C13H21N2O1 non-polymer 0.00 0.00 A7K A7N C10H15N1O1 non-polymer 0.00 0.00 A7N A7O C30H34N2O6 non-polymer 0.98 0.16 A7O A7Q C12H11N1O2 non-polymer 0.00 0.00 A7Q A7R C20H28N5O15P2 non-polymer 1.00 0.55 A7R A7S C20F1H23N2O3S1 non-polymer 0.00 0.00 A7S A7T C35Cl2H39N3O3 non-polymer 0.00 0.00 A7T A7W C9H8N2O1 non-polymer 0.00 0.00 A7W A7Y C29Cl1H28N3O2 non-polymer 0.50 0.11 A7Y A7Z C19F1H15N2O4S1 non-polymer 0.00 0.00 A7Z A80 C22H25N1O3 non-polymer 0.00 0.00 A80 A81 Br2C15H7N9O4 non-polymer 0.00 0.00 A81 A82 C22H24N4O4 non-polymer 0.00 0.00 A82 A83 C37H48N6O7S1 non-polymer 0.56 0.10 A83 A84 C22F1H25N2O4S1 non-polymer 0.43 0.13 A84 A85 C44F2H56N8O6 non-polymer 0.00 0.00 A85 A86 C42H58O6 non-polymer 1.00 0.52 A86 A88 C34H37N3O6 non-polymer 0.00 0.00 A88 A89 Br1C30F2H31I1N4O7P1 peptide-like 0.00 0.00 A89 A8B C30H36N4 non-polymer 0.00 0.00 A8B A8C C4H8O2S1 non-polymer 0.00 0.00 A8C A8D C11H12N2O4S1 non-polymer 0.50 0.28 A8D A8E Br1C5H8N1O2 L-peptide linking 0.44 0.89 A8E A8F C19Cl1H23N2O1 non-polymer 0.00 0.00 A8F A8H C14H15N1O2 non-polymer 0.00 0.00 A8H A8K C12H10O2S1 non-polymer 0.00 0.00 A8K A8L C19Cl1H23N2O2 non-polymer 0.00 0.00 A8L A8M C15H25N7O3 non-polymer 1.00 0.40 A8M A8N C21H33N3 non-polymer 0.00 0.00 A8N A8O C20H23N3O2 non-polymer 0.00 0.00 A8O A8P C23H42N7O12P2 non-polymer 1.00 0.50 A8P A8Q C16Cl1H19N1 non-polymer 0.00 0.00 A8Q A8S C15H20O4 non-polymer 0.50 0.37 A8S A8T C27H29N5O1 non-polymer 0.46 0.21 A8T A8U C28H32N4O3 non-polymer 0.58 0.11 A8U A8V C16H24O3 non-polymer 0.00 0.00 A8V A8W C21H32O5S1 non-polymer 0.00 0.00 A8W A8X C21F1H21N2O4S1 non-polymer 0.00 0.00 A8X A8Z C21H34O3 non-polymer 0.50 0.29 A8Z A90 C16Cl1H16N1O4S1 non-polymer 0.00 0.00 A90 A91 C17H15N5O2 non-polymer 0.00 0.08 A91 A92 C19F1H19N4O1 non-polymer 0.00 0.00 A92 A93 C23F1H19O3 non-polymer 0.25 0.07 A93 A94 C17H19N5O4S1 non-polymer 0.00 0.00 A94 A95 C25H26N2O5 non-polymer 0.00 0.00 A95 A96 C19Cl1F3H11N5O2 non-polymer 0.00 0.00 A96 A97 C31H39N7O2 non-polymer 0.36 0.10 A97 A98 C6H9N3O2S2 non-polymer 0.00 0.00 A98 A99 C18H23N6O15P3 non-polymer 1.00 0.24 A99 A9B C11Cl1H9N2O2 non-polymer 0.00 0.00 A9B A9D C14H21N3O7 L-peptide linking 0.83 0.50 A9D A9E C15H21N1O2 non-polymer 0.00 0.00 A9E A9G C31H38N6O2 non-polymer 0.00 0.00 A9G A9H C20H30O2 non-polymer 0.00 0.00 A9H A9J F6P1 non-polymer 0.00 0.00 A9J A9K C13Cl1H12N1O1 non-polymer 0.00 0.00 A9K A9M C22H45N1O2 non-polymer 0.00 0.00 A9M A9N C15H16N2O3S1 non-polymer 0.00 0.00 A9N A9O C12H13N1O1 non-polymer 0.00 0.00 A9O A9P C11H11N1O1 non-polymer 0.00 0.00 A9P A9Q C18H21N3O7S1 non-polymer 0.00 0.00 A9Q A9R C17H15N5O1 non-polymer 0.00 0.00 A9R A9S C15H20O4 non-polymer 0.50 0.37 A9S A9T C27Cl1H27N4O2 non-polymer 0.00 0.00 A9T A9U C27H28N4O2 non-polymer 0.00 0.00 A9U A9V C16H24O3 non-polymer 0.00 0.00 A9V A9W C14Cl1H15N1O1 non-polymer 0.00 0.00 A9W A9Y C19H14N4O3 non-polymer 0.00 0.00 A9Y A9Z C14H19N8O6P1 RNA linking 1.00 0.34 A9Z AA0 C30H33N7O3 non-polymer 0.00 0.00 AA0 AA1 C8H14N2O5 non-polymer 0.65 0.93 AA1 AA2 C25Cl1H30N5O1 non-polymer 0.38 0.06 AA2 AA3 C4H9N1O2 L-peptide linking 0.61 1.00 AA3 AA4 C5H11N1O3 L-peptide linking 0.68 1.00 AA4 AA5 C13H19N2O7P1S1 non-polymer 0.50 0.33 AA5 AA6 C11H16N2O5 L-peptide linking 0.50 0.44 AA6 AA7 C33H40N4 non-polymer 0.00 0.00 AA7 AA8 C31H48O7 non-polymer 0.55 0.61 AA8 AA9 C35H47N5O5S1 non-polymer 0.40 0.33 AA9 AAA Br2C17H16N2O2 non-polymer 0.62 0.13 AAA AAB C5H11O7P1 DNA linking 1.00 0.69 AAB AAC C4H7N1O3 non-polymer 0.67 1.00 AAC AAD C13H21N6O4S1 non-polymer 1.00 0.38 AAD AAE C4H6O3 non-polymer 0.75 1.00 AAE AAF C20H29N5O4 non-polymer 0.97 0.14 AAF AAG C8H16N4O3 non-polymer 0.58 0.67 AAG AAH C13H19N2O7P1 non-polymer 0.00 0.00 AAH AAI C16H22N4O1 non-polymer 0.00 0.00 AAI AAK C16H22N2O3 non-polymer 0.56 0.24 AAK AAL C6H10O5 L-saccharide 1.00 1.00 AAL AAM C10H14N5O7P1 non-polymer 1.00 0.43 AAM AAN C8H7N1O4 non-polymer 0.00 0.00 AAN AAO C37H63N1O28 saccharide 1.00 0.85 AAO AAP C17Cl2H16N2O2 non-polymer 0.62 0.13 AAP AAQ C19H21N7O1 non-polymer 0.00 0.00 AAQ AAR C6H16N5O1 L-peptide linking 0.00 0.00 AAR AAS C8H10Hg1N2O4S1 non-polymer 0.00 0.00 AAS AAT C18H29N7O3S1 non-polymer 1.00 0.31 AAT AAU C36H39N3O8 non-polymer 0.00 0.00 AAU AAV C24H24N6O3 non-polymer 0.00 0.00 AAV AAX C25H24N4O4S1 non-polymer 0.00 0.00 AAX AAY C37H49N1O6 non-polymer 0.65 0.16 AAY AAZ C23H21N3O4S1 non-polymer 0.00 0.00 AAZ AB0 C16H24O8 non-polymer 1.00 0.71 AB0 AB1 C37H48N4O5 non-polymer 0.00 0.00 AB1 AB2 C34H41N5O7S1 non-polymer 0.00 0.00 AB2 AB3 C15H17N5O1 non-polymer 0.39 0.24 AB3 AB4 C22Cl2H15N1O4S1 non-polymer 0.00 0.00 AB4 AB5 B1C6H16N1O5 non-polymer 0.00 0.00 AB5 AB6 C21H44N6O9 non-polymer 1.00 0.61 AB6 AB7 C4H9N1O2 L-peptide linking 0.61 1.00 AB7 AB8 C34H48N2O7 non-polymer 0.65 0.16 AB8 AB9 C20H43N7O8 non-polymer 1.00 0.63 AB9 ABA C4H9N1O2 L-peptide linking 0.61 1.00 ABA ABB C20H26N6O4S1 non-polymer 0.32 0.29 ABB ABC C37H63N1O26 saccharide 1.00 0.84 ABC ABD C36H63N1O29 saccharide 1.00 1.00 ABD ABE C6H12O4 D-saccharide 1.00 1.00 ABE ABF C5H11O8P1 D-saccharide 1.00 0.71 ABF ABG C11H18N5O12P3 non-polymer 1.00 0.32 ABG ABH B1C6H15N1O5 non-polymer 0.00 0.00 ABH ABI C8H9N4 non-polymer 0.00 0.00 ABI ABJ C14H15N5O1 non-polymer 0.36 0.20 ABJ ABK C5F2H7N1O3 non-polymer 0.56 0.73 ABK ABL C12H21N1O10 saccharide 1.00 1.00 ABL ABM C11H16N5O6P1 non-polymer 1.00 0.43 ABM ABN C7H9N1 non-polymer 0.00 0.00 ABN ABO C21H16N4O2 non-polymer 0.00 0.00 ABO ABP Br1C10H14N5O10P2 non-polymer 1.00 0.36 ABP ABQ C24F1H24N7O2 non-polymer 0.36 0.12 ABQ ABR C18H22N5O7P1 DNA linking 1.00 0.29 ABR ABS C18H22N5O7P1 DNA linking 1.00 0.29 ABS ABT B1C10H17N5O12P3 DNA linking 1.00 0.55 ABT ABU C4H9N1O2 non-polymer 0.00 0.00 ABU ABV C7H6N2S1 non-polymer 0.00 0.00 ABV ABW C14H23N1O6 non-polymer 0.55 0.33 ABW ABX C14H24N2O5 non-polymer 0.55 0.33 ABX ABY C17H25N3O5S1 non-polymer 0.00 0.00 ABY ABZ C19Cl1H14N7 non-polymer 0.00 0.00 ABZ AC0 C8H8O1 non-polymer 0.62 0.33 AC0 AC1 C13H23N1O8 non-polymer 1.00 0.50 AC1 AC2 C8H11N5O3 non-polymer 0.00 0.00 AC2 AC4 C9H15N4O8P1 non-polymer 1.00 0.45 AC4 AC5 C6H11N1O2 peptide linking 0.00 0.00 AC5 AC6 C8H8O2 non-polymer 0.62 0.30 AC6 AC7 C27H26N2O8 non-polymer 0.97 0.46 AC7 AC8 C21H37N7O19P4S1 non-polymer 1.00 0.44 AC8 AC9 C15Cr1H21O6 non-polymer 0.00 0.00 AC9 ACA C6H13N1O2 peptide linking 0.00 0.00 ACA ACB C5H9N1O4 D-beta-peptide, C-gamma linking 0.68 1.00 ACB ACC C13H24N3O6S2 non-polymer 0.00 0.00 ACC ACD C20H32O2 non-polymer 0.38 0.68 ACD ACE C2H4O1 non-polymer 0.00 0.00 ACE ACF C18Cl1H24N3O4 non-polymer 0.00 0.00 ACF ACG C31H53N1O22 saccharide 1.00 0.81 ACG ACH C7H16N1O2 non-polymer 0.64 0.80 ACH ACI C7H13N1O4 non-polymer 0.00 0.00 ACI ACJ C14Cl1F3H7N1O5 non-polymer 0.00 0.00 ACJ ACK C10H12N5O6P1 non-polymer 1.00 0.45 ACK ACL C7Cl1H15N4O1 L-peptide linking 0.00 0.00 ACL ACM C2H5N1O1 non-polymer 0.00 0.00 ACM ACN C3H6O1 non-polymer 0.67 1.00 ACN ACO C23H38N7O17P3S1 non-polymer 1.00 0.45 ACO ACP C11H18N5O12P3 non-polymer 1.00 0.32 ACP ACQ C11H19N5O15P4 non-polymer 1.00 0.29 ACQ ACR C25H43N1O18 saccharide 1.00 0.75 ACR ACS C13H21N3O7S2 non-polymer 1.00 0.52 ACS ACT C2H3O2 non-polymer 0.00 0.00 ACT ACU C2H4O1 non-polymer 0.00 0.00 ACU ACV C14H25N3O6S1 non-polymer 0.59 0.33 ACV ACW C15H25N3O6S1 non-polymer 0.00 0.00 ACW ACX C36H60O30 saccharide 1.00 0.85 ACX ACY C2H4O2 non-polymer 0.00 0.00 ACY ACZ C10H16N2O2 non-polymer 0.00 0.00 ACZ AD0 C12H18O13 non-polymer 1.00 1.00 AD0 AD1 C9H9N1O3 non-polymer 0.00 0.00 AD1 AD2 C10H15N5O9P2 DNA linking 1.00 0.35 AD2 AD3 C11H14N4O4 non-polymer 1.00 0.53 AD3 AD4 C47H75N1O14 non-polymer 1.00 0.44 AD4 AD5 C21H27N7O1 non-polymer 0.00 0.00 AD5 AD6 Br1C11H10N3O1S1 non-polymer 0.50 0.24 AD6 AD7 C20H39N1O8 non-polymer 1.00 0.72 AD7 AD8 C15H20N2O1 non-polymer 0.00 0.00 AD8 AD9 C10H16N5O13P2V1 non-polymer 1.00 0.32 AD9 ADA C6H10O7 D-saccharide 1.00 1.00 ADA ADB C16Cl2H10N6O1 non-polymer 0.00 0.00 ADB ADC C10H11N5O2 non-polymer 0.00 0.00 ADC ADD C20H33N1O3 L-peptide linking 0.55 0.33 ADD ADE C5H5N5 non-polymer 0.00 0.00 ADE ADF C22H33N3O4 non-polymer 0.38 0.07 ADF ADG C6H14N1O5 D-saccharide 1.00 1.00 ADG ADH C7H13N1O3 non-polymer 0.00 0.00 ADH ADI C10H15N5O8P2 non-polymer 0.00 0.00 ADI ADJ C31H44N11O21P3 non-polymer 1.00 0.61 ADJ ADK C6H7N5 non-polymer 0.00 0.00 ADK ADL C16H12O5 non-polymer 0.00 0.00 ADL ADM C10H16 non-polymer 0.00 0.00 ADM ADN C10H13N5O4 non-polymer 1.00 0.53 ADN ADO C10H14O1 non-polymer 0.00 0.00 ADO ADP C10H15N5O10P2 non-polymer 1.00 0.37 ADP ADQ C16H25N5O15P2 non-polymer 1.00 0.58 ADQ ADR C6H14N2O2 D-saccharide 0.00 0.00 ADR ADS C10H14N5O5P1S2 non-polymer 1.00 0.43 ADS ADT C12H17N3O5 non-polymer 1.00 0.85 ADT ADU C11H15N3O6 non-polymer 1.00 0.50 ADU ADV C16H25N5O13P2 non-polymer 1.00 0.56 ADV ADW C10H15N5O10W2 non-polymer 1.00 0.37 ADW ADX C10H14N5O10P1S1 RNA linking 1.00 0.37 ADX ADY C10H11N5O4 non-polymer 1.00 0.53 ADY ADZ C6H7N5 non-polymer 0.00 0.00 ADZ AE0 C30H34N4O5 non-polymer 0.55 0.18 AE0 AE1 C10H20N1O6P1 non-polymer 0.56 0.78 AE1 AE2 C19H30O2 non-polymer 0.00 0.00 AE2 AE3 C6H14O3 non-polymer 0.81 1.00 AE3 AE4 C12H26O6 non-polymer 0.88 1.00 AE4 AE5 C8H14N2O6 L-peptide linking 0.68 1.00 AE5 AE6 C23H19N3O3 non-polymer 0.23 0.28 AE6 AE7 C19H15N3O3S1 non-polymer 0.00 0.00 AE7 AE8 C24F1H26N5O4 non-polymer 0.00 0.00 AE8 AE9 C2H5N3O1 non-polymer 0.00 0.00 AE9 AEA C5H10N2O3S1 L-peptide linking 0.00 0.00 AEA AED C14H21N1O1 non-polymer 0.00 0.00 AED AEE C27H32N6 non-polymer 0.00 0.00 AEE AEF C8H11N1O1 non-polymer 0.00 0.00 AEF AEG C9H13N1O1 non-polymer 0.00 0.00 AEG AEH C10H15N1O1 non-polymer 0.00 0.00 AEH AEI C8H14N2O6 L-peptide linking 0.84 1.00 AEI AEJ C29H33N3O1 non-polymer 0.00 0.00 AEJ AEK C18H24N6O1 non-polymer 0.00 0.00 AEK AEL C27H20N4O2 non-polymer 0.00 0.00 AEL AEM C2H6N2 non-polymer 0.00 0.00 AEM AEN C14H16N2O4S1 non-polymer 0.00 0.00 AEN AEO C22H16N4O2S1 non-polymer 0.00 0.00 AEO AEP C7H14N1O6P1 non-polymer 0.69 0.87 AEP AEQ C14H17N1O3 non-polymer 0.97 0.22 AEQ AER C24H31N1O1 non-polymer 0.00 0.00 AER AES C8F1H10N1O2S1 non-polymer 0.00 0.00 AES AET C16H23N6O11P1 RNA linking 1.00 0.65 AET AEV C19Cl2H12N4O3 non-polymer 0.00 0.00 AEV AEW C19H26N2O1 non-polymer 0.00 0.00 AEW AEY C11H10N6O1 non-polymer 0.00 0.00 AEY AEZ C8H12N2O4 non-polymer 0.00 0.00 AEZ AF C13H11N1 non-polymer 0.00 0.00 AF AF0 C20F4H20N2O3S1 non-polymer 0.00 0.00 AF0 AF1 C13H23N1O8 saccharide 1.00 0.50 AF1 AF2 C10F1H13N5O6P1 DNA linking 1.00 0.39 AF2 AF3 Al1F3 non-polymer 0.00 0.00 AF3 AF4 C24H32N4O1 non-polymer 0.36 0.28 AF4 AF5 C20F1H20N3O3 non-polymer 0.00 0.00 AF5 AF8 C28H31N3O6S2 non-polymer 0.00 0.00 AF8 AF9 C14H19N5O4S1 non-polymer 1.00 0.38 AF9 AFA C13H20N2O4 L-peptide linking 0.45 0.74 AFA AFB C16H24O4 non-polymer 0.00 0.00 AFB AFC C15H31N1O2 peptide-like 0.00 0.00 AFC AFD C6H12O6 D-saccharide 1.00 1.00 AFD AFE C21H20O10 non-polymer 1.00 0.35 AFE AFF C15H13N1O1 DNA linking 0.00 0.00 AFF AFH C17F1H26N5O15P2 non-polymer 1.00 0.57 AFH AFI C22Cl1H19O3 non-polymer 0.00 0.00 AFI AFJ C25H49N3O4S1 non-polymer 0.00 0.00 AFJ AFK C15Cl1H16N1O1 non-polymer 0.00 0.00 AFK AFL C6H12O5 L-saccharide 1.00 1.00 AFL AFM C24F1H25N6O2 non-polymer 0.00 0.00 AFM AFN C17H14O7 non-polymer 0.00 0.00 AFN AFO C13H26O5 D-saccharide 1.00 0.56 AFO AFP C6H14O12P2 saccharide 1.00 0.60 AFP AFQ C18H25N7O1 non-polymer 0.00 0.00 AFQ AFR C6F1H9O5 D-saccharide 1.00 0.92 AFR AFS C5H13N2O4P1 non-polymer 0.00 0.00 AFS AFT C17H12O6 non-polymer 0.00 0.00 AFT AFU C21H22N6O1 non-polymer 0.00 0.00 AFU AFV C26F1H26N5O2 non-polymer 0.00 0.00 AFV AFW C15Cl1F3H13N1O1 non-polymer 0.00 0.00 AFW AFX C11F1H10N5O3 non-polymer 0.00 0.00 AFX AFY C16H29N2O10P1S1 non-polymer 0.62 0.33 AFY AFZ C18H16N4O1 non-polymer 0.00 0.00 AFZ AG Ag1 non-polymer 0.00 0.00 AG AG0 C29H37N5O3 non-polymer 0.00 0.00 AG0 AG1 C27F1H17N4O7Ru1 non-polymer 0.64 0.15 AG1 AG2 C5H14N4 non-polymer 0.00 0.00 AG2 AG3 C8H21N5 non-polymer 0.00 0.00 AG3 AG4 C16H19N3O4S2 non-polymer 1.00 0.56 AG4 AG5 C20H19N3O3S2 non-polymer 1.00 0.32 AG5 AG6 C35H39N3O7 non-polymer 0.32 0.16 AG6 AG7 C31F1H41N4O7 non-polymer 0.65 0.16 AG7 AG8 C19H37N1O6P2S1 non-polymer 0.38 0.48 AG8 AG9 C14H30N7O7P1 non-polymer 1.00 0.34 AG9 AGA C19H36O10P1 non-polymer 1.00 0.70 AGA AGB C19H27N5O1 non-polymer 0.00 0.00 AGB AGC C6H12O6 D-saccharide 1.00 1.00 AGC AGD C8H10N6O3 D-peptide linking 0.00 0.00 AGD AGE C16H16N2O3 non-polymer 0.29 0.24 AGE AGF C21H25N2O8P1 non-polymer 0.50 0.69 AGF AGG C22H36N2O5S1 non-polymer 0.00 0.00 AGG AGH C50H99N1O9 D-saccharide 1.00 0.35 AGH AGI C15H10O5 non-polymer 0.00 0.00 AGI AGJ C18H20N2O4 non-polymer 0.00 0.00 AGJ AGK C5H12N2O3 non-polymer 1.00 1.00 AGK AGL C6H13N1O4 D-saccharide 1.00 1.00 AGL AGM C7H17N4O2 L-peptide linking 0.44 0.85 AGM AGN C18H24N7O13P3 non-polymer 1.00 0.22 AGN AGO C18H22N7O14P3 non-polymer 1.00 0.24 AGO AGP C6H16N1O8P1 non-polymer 1.00 0.75 AGP AGQ C10H13N5O4 L-peptide linking 0.00 0.00 AGQ AGR C17H31O18P1 non-polymer 1.00 0.92 AGR AGS C10H16N5O12P3S1 non-polymer 1.00 0.32 AGS AGT C8H20N4O2S1 L-peptide linking 0.00 0.00 AGT AGU C1H6N4 non-polymer 0.00 0.00 AGU AGV C12H17N5O3 non-polymer 1.00 0.45 AGV AGW C24H35O19P1 non-polymer 1.00 0.75 AGW AGX C16Cl2H13N3O2 non-polymer 0.00 0.00 AGX AGY C22H22N4O4 non-polymer 0.38 0.07 AGY AH0 C11H17N1O7 non-polymer 1.00 1.00 AH0 AH1 C33H34N2O5 non-polymer 0.00 0.00 AH1 AH2 C6H12O5 non-polymer 1.00 1.00 AH2 AH4 C24H27N5O3 non-polymer 0.00 0.00 AH4 AH7 C17F2H18N4O2 non-polymer 0.00 0.00 AH7 AH8 C5H9N3O4 non-polymer 1.00 0.83 AH8 AHA C6H13N1O2 non-polymer 0.00 0.00 AHA AHB C4H8N2O4 L-peptide linking 0.76 1.00 AHB AHC C9H11N1O2 non-polymer 0.00 0.00 AHC AHD C4H9N1O7P2 non-polymer 0.00 0.00 AHD AHE C11H19N3O7S1 non-polymer 0.00 0.00 AHE AHF C35H40N2O9S1 non-polymer 0.55 0.15 AHF AHG C6H14O11P2 non-polymer 1.00 0.58 AHG AHH C7H15N1O3 L-peptide linking 0.00 0.00 AHH AHI C4H13N4O1 non-polymer 0.00 0.00 AHI AHK C24Cl1H25N3 non-polymer 0.00 0.00 AHK AHL C6H15N5O2 non-polymer 0.30 0.77 AHL AHM C6H14O11P2 non-polymer 1.00 0.58 AHM AHN C7H11N3O1 non-polymer 0.00 0.00 AHN AHO C7H14N2O4 L-peptide linking 0.53 0.92 AHO AHP C7H15N1O2 L-peptide linking 0.00 0.00 AHP AHQ C14H14N2O8 non-polymer 0.00 0.00 AHQ AHR C5H10O5 L-saccharide 1.00 1.00 AHR AHS C15H30N2O3 peptide-like 0.00 0.00 AHS AHT C11H18N2O2 peptide-like 0.00 0.00 AHT AHU C10H13I1N2O5 non-polymer 1.00 0.56 AHU AHW C13H14O1 non-polymer 0.00 0.00 AHW AHX C13H20N7O9P1 non-polymer 1.00 0.63 AHX AHY C10H21N1O3 non-polymer 0.00 0.00 AHY AHZ C17H19N6O12P2S1 non-polymer 1.00 0.45 AHZ AI C44H64N8O6 non-polymer 0.50 0.59 AI AI1 C20H23N1O7 non-polymer 1.00 0.43 AI1 AI2 B1C5H10O7 non-polymer 1.00 0.77 AI2 AI3 C19H16N1O4 non-polymer 0.00 0.00 AI3 AI7 C14H20O3 non-polymer 0.00 0.00 AI7 AI8 C22H23N8O5S4 non-polymer 0.50 0.33 AI8 AI9 C9H15N4O9P1 non-polymer 1.00 0.83 AI9 AIA C14H23N3O1 non-polymer 0.00 0.00 AIA AIB C4H9N1O2 L-peptide linking 0.93 0.57 AIB AIC C16H19N3O4S1 non-polymer 0.00 0.00 AIC AIF C9H15N4O9P1 non-polymer 1.00 0.83 AIF AIG C12H25N1O5 saccharide 1.00 0.67 AIG AIH C28H31N1O4S1 non-polymer 0.00 0.00 AIH AIJ C27H29N1O4S1 non-polymer 0.57 0.15 AIJ AIK C25H34N8O4S1 non-polymer 0.46 0.21 AIK AIL C13H18N4O2S2 non-polymer 0.00 0.00 AIL AIM C9H14N4 non-polymer 0.00 0.00 AIM AIN C9H8O4 non-polymer 0.00 0.00 AIN AIO B1C13H26N3O4 non-polymer 0.00 0.00 AIO AIQ C12H12N6O1S1 non-polymer 0.00 0.00 AIQ AIR C8H14N3O7P1 non-polymer 1.00 0.53 AIR AIS C8H13N3O4 non-polymer 1.00 0.67 AIS AIT C27H29N1O4S1 non-polymer 0.57 0.15 AIT AIU C28H31N1O4S1 non-polymer 0.00 0.00 AIU AIV C12H9N2O6V1 non-polymer 0.00 0.00 AIV AIX C16H21N3O4S1 non-polymer 0.00 0.00 AIX AIZ C26Cl1H26N5O3 non-polymer 0.20 0.09 AIZ AJ1 C10H11N3O1S1 non-polymer 0.00 0.00 AJ1 AJ2 C10H9N1O1 non-polymer 0.00 0.00 AJ2 AJ3 C6H10O1S2 non-polymer 0.42 0.67 AJ3 AJ4 C16F1H12N1O1 non-polymer 0.00 0.00 AJ4 AJ5 C20Cl1H19N2O3 non-polymer 0.61 0.27 AJ5 AJ6 C16Cl1H13N2O1 non-polymer 0.00 0.00 AJ6 AJ7 C23Cl1H24N3O3 non-polymer 0.00 0.00 AJ7 AJ8 C17Cl1H12N1O3 non-polymer 0.00 0.00 AJ8 AJA C25H36O4 non-polymer 0.38 0.07 AJA AJB C14H14N6O1S2 non-polymer 0.00 0.00 AJB AJD Br1C12H15N2O2 non-polymer 0.00 0.00 AJD AJE C9H14N2O5 L-peptide linking 0.00 0.00 AJE AJG C10H7N3O1S1 non-polymer 0.00 0.00 AJG AJH C23F3H24N3O4 non-polymer 0.00 0.00 AJH AJI C19F1H15N6O1S3 non-polymer 1.00 0.30 AJI AJJ C14H17N3O2 non-polymer 0.00 0.00 AJJ AJK C19Cl1H20N2 non-polymer 0.00 0.00 AJK AJM C18H22N2O2 non-polymer 0.00 0.00 AJM AJN C21H24N2O3 non-polymer 0.97 0.15 AJN AJP C56H92O29 non-polymer 1.00 0.64 AJP AJQ C21H30N10O15P3S3 non-polymer 1.00 0.35 AJQ AJU C17H24O8 non-polymer 0.00 0.00 AJU AJV C8F1H5N2O2 non-polymer 0.00 0.00 AJV AJY Br1C9H7N2O2 non-polymer 0.00 0.00 AJY AJZ C16H15N3O2S1 non-polymer 0.00 0.00 AJZ AK1 C19F3H15N6O1S2 non-polymer 0.00 0.00 AK1 AK2 C18Cl1H15N6O1S2 non-polymer 0.00 0.00 AK2 AK3 C19F3H17N8O1S1 non-polymer 0.00 0.00 AK3 AK4 C19Cl1H17N8O3S1 non-polymer 0.00 0.00 AK4 AK5 Br1C21H20N5O3S1 non-polymer 0.00 0.00 AK5 AK6 C25H24N4O3S1 non-polymer 0.00 0.00 AK6 AK7 Br1C17F3H15N7O1S1 non-polymer 0.00 0.00 AK7 AK8 C25F3H21N6O2 non-polymer 0.00 0.00 AK8 AKA C40H51N1O13 non-polymer 1.00 0.35 AKA AKB C4H7N1O3 non-polymer 0.61 1.00 AKB AKC C36H39N3O7 non-polymer 0.69 0.13 AKC AKD Br1C12H14N2O2 non-polymer 0.00 0.00 AKD AKE C22H28N4O4 non-polymer 0.00 0.00 AKE AKG C5H6O5 non-polymer 0.96 1.00 AKG AKH C9H6O3 non-polymer 0.00 0.00 AKH AKI C33H27N5O2 non-polymer 0.00 0.00 AKI AKJ C16F2H20O4 non-polymer 0.00 0.00 AKJ AKK C3H7N1 non-polymer 0.50 0.50 AKK AKL C5Cl1H8N1O3 L-peptide linking 0.00 0.00 AKL AKM C17H29N3O14P2 non-polymer 1.00 0.81 AKM AKN C22H43N5O13 non-polymer 1.00 0.82 AKN AKP C41H60N7O13P1 non-polymer 0.50 0.61 AKP AKR C3H4O2 non-polymer 0.67 1.00 AKR AKS C12H21N1O1 non-polymer 0.00 0.00 AKS AKT C28H33N1O8 non-polymer 1.00 0.27 AKT AKV C22H22O8 non-polymer 0.56 0.20 AKV AKW C21H30N10O16P3S2 non-polymer 1.00 0.35 AKW AKX C39H52O3 non-polymer 0.25 0.05 AKX AKY C42H53N1O15 non-polymer 1.00 0.45 AKY AKZ C4H9N1O4 peptide-like 0.88 1.00 AKZ AL Al1 non-polymer 0.00 0.00 AL AL0 C3H7N3O4 non-polymer 0.00 0.00 AL0 AL1 C13H14N2O5S3 non-polymer 0.00 0.00 AL1 AL2 C13H14N2O6S3 non-polymer 0.00 0.00 AL2 AL3 C11H12N2O5S4 non-polymer 0.00 0.00 AL3 AL4 C11H19N3O5S3 non-polymer 0.50 0.23 AL4 AL5 C12H14N2O4S3 non-polymer 0.00 0.00 AL5 AL6 C13H12N2O5S3 non-polymer 0.00 0.00 AL6 AL7 C14H17N3O5S3 non-polymer 0.00 0.00 AL7 AL8 C14H17N3O5S3 non-polymer 0.00 0.00 AL8 AL9 C12H14N2O5S3 non-polymer 0.00 0.00 AL9 ALA C3H7N1O2 L-peptide linking 0.64 1.00 ALA ALA_LEO2 C3H5N1O2 NA 0.57 1.00 ALA_LEO2 ALA_LEO2H C3H6N1O2 NA 0.64 1.00 ALA_LEO2H ALA_LFOH C3H7N1O2 NA 0.64 1.00 ALA_LFOH ALA_LFZW C3H7N1O2 NA 0.57 1.00 ALA_LFZW ALA_LL C3H5N1O1 NA 0.00 0.00 ALA_LL ALA_LSN3 C3H7N1O1 NA 0.00 0.00 ALA_LSN3 ALB C37Fe1H57N12O18S1 non-polymer 1.00 0.30 ALB ALC C9H17N1O2 L-peptide linking 0.00 0.00 ALC ALD C26H43N3O5 non-polymer 0.39 0.74 ALD ALE C9H13N1O3 non-polymer 0.00 0.00 ALE ALF Al1F4 non-polymer 0.00 0.00 ALF ALG C5H11N3O2 peptide-like 0.00 0.00 ALG ALH C16H17N3O1 non-polymer 0.00 0.00 ALH ALI C8H12N2O4 non-polymer 1.00 0.79 ALI ALJ C11H19N5O2 non-polymer 0.00 0.00 ALJ ALK C3H9O4P1 non-polymer 0.67 0.75 ALK ALL C6H12O6 D-saccharide 1.00 1.00 ALL ALM C4H9N1O1 L-peptide linking 0.50 1.00 ALM ALN C13H13N1O2 L-peptide linking 0.00 0.00 ALN ALO C4H9N1O3 L-peptide linking 0.72 1.00 ALO ALP C9H15N1O5S1 non-polymer 0.67 0.50 ALP ALQ C4H8O2 non-polymer 0.75 1.00 ALQ ALR C14H9N1O4 non-polymer 0.00 0.00 ALR ALS C3H7N1O7S1 L-peptide linking 0.76 0.67 ALS ALT C3H7N1O1S1 L-peptide linking 0.00 0.00 ALT ALU C3H7O4P1 non-polymer 0.83 0.75 ALU ALV C3H9N1O2 peptide-like 0.64 1.00 ALV ALW C12H15N3O3S1 non-polymer 0.00 0.00 ALW ALX C6H13O9P1 D-saccharide 1.00 0.75 ALX ALY C8H16N2O3 L-peptide linking 0.00 0.00 ALY ALZ C17H26N4O3 peptide-like 0.00 0.00 ALZ AM AM1 non-polymer 0.00 0.00 AM AM0 C25H23N7O3 non-polymer 0.00 0.00 AM0 AM1 C8H10N2O5 non-polymer 0.00 0.00 AM1 AM2 C21H41N5O11 non-polymer 1.00 0.97 AM2 AM3 C15H28N2O5 non-polymer 1.00 0.55 AM3 AM4 C8H10N2O2S1 non-polymer 0.00 0.00 AM4 AM5 C31F3H30N7O2 non-polymer 0.00 0.00 AM5 AM6 C32F3H32N7O2 non-polymer 0.00 0.00 AM6 AM7 C35F1H35N4O5 non-polymer 0.00 0.00 AM7 AM8 C23Cl1H22N3O3S1 non-polymer 0.00 0.00 AM8 AM9 C31H30N8O1 non-polymer 0.00 0.00 AM9 AMA C13H19N2O9P1 non-polymer 0.93 0.40 AMA AMB C5H9N1O3 non-polymer 0.75 1.00 AMB AMC C7H16N1 non-polymer 0.00 0.00 AMC AMD C14H19N6O9P1 non-polymer 1.00 0.63 AMD AME C7H13N1O3S1 non-polymer 0.58 0.83 AME AMF C15H28N2O4S1 non-polymer 1.00 0.50 AMF AMG C7H14O6 non-polymer 1.00 0.92 AMG AMH C8H15N1O2 non-polymer 0.00 0.00 AMH AMI C9H16N2O4 non-polymer 1.00 0.73 AMI AMJ C13H18N2O3 non-polymer 0.54 0.61 AMJ AML C5H13N1 non-polymer 0.00 0.00 AML AMM C8H19N1O3Si1 non-polymer 0.00 0.00 AMM AMN C12H22N2O8 non-polymer 1.00 0.95 AMN AMO C14H19N6O10P1 non-polymer 1.00 0.65 AMO AMP C10H14N5O7P1 non-polymer 1.00 0.43 AMP AMQ C7H10N2O4 non-polymer 0.00 0.00 AMQ AMR C6Cl1H8N7O1 non-polymer 1.00 0.67 AMR AMS C6H7Hg1N2O2S1 non-polymer 0.00 0.00 AMS AMT C3H4N2S1 non-polymer 0.00 0.00 AMT AMU C11H19N1O8 D-saccharide 1.00 1.00 AMU AMV C12H21N1O8 non-polymer 1.00 0.95 AMV AMW C10H14N5O7W1 non-polymer 1.00 0.43 AMW AMX C23H39N8O17P3 non-polymer 1.00 0.45 AMX AMY C27H38N2O9 non-polymer 0.00 0.00 AMY AMZ C9H15N4O8P1 non-polymer 1.00 0.45 AMZ AN0 C7H13N1O3 non-polymer 0.58 0.91 AN0 AN1 C18H16O2 non-polymer 0.00 0.00 AN1 AN2 C10H16N6O9P2 non-polymer 1.00 0.37 AN2 AN3 C14H10 non-polymer 0.00 0.00 AN3 AN4 C10H12N2 non-polymer 0.00 0.00 AN4 AN5 C10H14N2O1 non-polymer 0.00 0.00 AN5 AN6 C16H25N7O5 L-peptide linking 1.00 0.68 AN6 AN7 C11H12N1O8P1 non-polymer 0.56 0.33 AN7 AN8 C9H19N1O2 L-peptide linking 0.00 0.00 AN8 AN9 C28H36N4O4 non-polymer 0.00 0.00 AN9 ANA C14H23N1O10 non-polymer 1.00 0.84 ANA ANB C19H24O2 non-polymer 0.00 0.00 ANB ANC C14H11N1 non-polymer 0.00 0.00 ANC AND C19H28O2 non-polymer 0.00 0.00 AND ANE C5H5N5 non-polymer 0.00 0.00 ANE ANF C14H10O1 non-polymer 0.00 0.00 ANF ANG C5H6N6O1 non-polymer 0.00 0.00 ANG ANH C20H24N4O5S1 non-polymer 0.56 0.23 ANH ANI C7F3H6N1 non-polymer 0.00 0.00 ANI ANJ C28H40N2O9 non-polymer 0.65 0.18 ANJ ANK C10H17N6O12P3 non-polymer 1.00 0.32 ANK ANL C6H7N1 non-polymer 0.00 0.00 ANL ANM C14H19N1O4 non-polymer 0.00 0.00 ANM ANN C8H8O3 non-polymer 0.00 0.00 ANN ANO C19H28O2 non-polymer 0.00 0.00 ANO ANP C10H17N6O12P3 non-polymer 1.00 0.32 ANP ANQ C12H6O2 non-polymer 0.00 0.00 ANQ ANR C20H28 non-polymer 0.38 0.30 ANR ANS C12H13N1O3S1 non-polymer 0.20 0.18 ANS ANT C16H17N3O4 non-polymer 0.29 0.22 ANT ANU C9H10N2O5 non-polymer 1.00 0.62 ANU ANV C15H16N4O3S1 non-polymer 0.00 0.00 ANV ANW C16H14N2O4 non-polymer 1.00 0.64 ANW ANX C6H4N2O5 non-polymer 0.00 0.00 ANX ANY C29H42N2O9 non-polymer 0.65 0.18 ANY ANZ B1C17F1H17N5O8P1 non-polymer 1.00 0.30 ANZ AO1 C19H26N2O2S1 non-polymer 0.27 0.33 AO1 AO2 C17H27N3O2 non-polymer 0.00 0.00 AO2 AO3 C25H42N4O14 non-polymer 1.00 0.91 AO3 AO4 C6Cl1H4N1O2 non-polymer 0.00 0.00 AO4 AO5 C15Cl1H22N3O3S1 non-polymer 0.60 0.26 AO5 AO7 C10H6O4 non-polymer 0.00 0.00 AO7 AO8 B1C18H20N3O4S1 non-polymer 0.00 0.00 AO8 AO9 C15H16N6O5S1 non-polymer 1.00 0.37 AO9 AOA C2H5N1O3 non-polymer 0.00 0.00 AOA AOB C15H11N5O1 non-polymer 0.20 0.24 AOB AOC C13H15N5O4 non-polymer 1.00 0.45 AOC AOD Br1C14H16N1O4 non-polymer 0.00 0.00 AOD AOE C34H55N1O3 non-polymer 0.00 0.00 AOE AOF C9H15N4O9P1 non-polymer 1.00 0.83 AOF AOG C14H29N1O5 saccharide 1.00 0.60 AOG AOH C50H60Mg1N4O6 non-polymer 0.62 0.44 AOH AOI C19H30O2 non-polymer 0.00 0.00 AOI AOJ C12F1H9N2O2 non-polymer 0.00 0.00 AOJ AOK C25Cl1H26N3 non-polymer 0.00 0.00 AOK AOL C5H11N1O4 non-polymer 1.00 1.00 AOL AOM C19H32O2 non-polymer 0.00 0.00 AOM AON C19H32O2 non-polymer 0.00 0.00 AON AOO C9H17N5O1 non-polymer 1.00 0.80 AOO AOP C7H15N1O2 non-polymer 0.59 0.80 AOP AOQ C22Cl1H19O3 non-polymer 0.00 0.00 AOQ AOR C7H14N2O3 non-polymer 0.58 0.83 AOR AOS C6H12O6 D-saccharide 1.00 1.00 AOS AOT C8H7N1O3 non-polymer 0.00 0.00 AOT AOV C10H17N5O14P2V1 non-polymer 1.00 0.31 AOV AOW C24Cl1H24N4O2 non-polymer 0.00 0.00 AOW AOX C19H30O2 non-polymer 0.00 0.00 AOX AOY C12H13N1O2 non-polymer 0.00 0.00 AOY AOZ C9H13N3O4 non-polymer 0.64 0.75 AOZ AP C16H11N1 non-polymer 0.00 0.00 AP AP0 C22H32N6O14P2 non-polymer 1.00 0.52 AP0 AP1 C38H47N1O11 non-polymer 0.00 0.00 AP1 AP2 C11H17N5O9P2 non-polymer 1.00 0.37 AP2 AP3 C11H19N1O5S1 non-polymer 0.62 0.56 AP3 AP4 C8H9N5O3 non-polymer 0.00 0.00 AP4 AP5 C20H29N10O22P5 non-polymer 1.00 0.35 AP5 AP6 C12H14N6 non-polymer 0.00 0.00 AP6 AP7 C10H15N5O7P1 RNA linking 1.00 0.43 AP7 AP8 C59H101N3O14 non-polymer 0.81 0.43 AP8 AP9 C19Cl1H26N7O1 non-polymer 0.50 0.39 AP9 APA C10H12N2O3 non-polymer 0.00 0.00 APA APB B1C6H8N1O2 non-polymer 0.00 0.00 APB APC C11H18N5O12P3 non-polymer 1.00 0.32 APC APD C10H13N1O2 non-polymer 0.00 0.00 APD APE C9H12N2O2 peptide-like 0.00 0.00 APE APF C12F3H12N1O2 non-polymer 0.00 0.00 APF APG C9H10O3 non-polymer 0.54 0.75 APG APH C10H13N3O2 D-peptide linking 0.00 0.00 APH API C7H14N2O4 L-peptide linking 0.56 1.00 API APJ C17H16N8 non-polymer 0.00 0.00 APJ APK C16H26N7O7P1 L-peptide linking 1.00 0.32 APK APL C12F3H14N1O3 non-polymer 0.00 0.00 APL APM C10H13N3O2 L-peptide linking 0.00 0.00 APM APN C11H16N7O3 peptide-like 0.00 0.00 APN APO C3H8N1O5P1 D-peptide linking 0.00 0.00 APO APP C8H13N1O3 L-peptide linking 0.00 0.00 APP APQ C12H16N4O1S1 non-polymer 0.00 0.00 APQ APR C15H23N5O14P2 non-polymer 1.00 0.64 APR APS C8H11N5O1 non-polymer 0.00 0.00 APS APT C14H13N6O3 non-polymer 0.00 0.00 APT APU C19H25N7O15P2 non-polymer 1.00 0.47 APU APV C13H19N3O7S1 non-polymer 0.00 0.00 APV APW C10H14Mg1N6O9P2 non-polymer 1.00 0.36 APW APX C15H29N5O17P3 non-polymer 1.00 0.57 APX APY C6H8N2 non-polymer 0.00 0.00 APY APZ C8H7N3O2 non-polymer 0.00 0.00 APZ AQ0 C19H17N3O2 non-polymer 0.00 0.00 AQ0 AQ1 C13F1H14N3O1 non-polymer 0.00 0.00 AQ1 AQ2 C21H25N3O4S2 non-polymer 0.00 0.00 AQ2 AQ3 C17H22N3O8P1 non-polymer 0.00 0.00 AQ3 AQ4 C22H23N3O4 non-polymer 0.75 0.34 AQ4 AQ5 C20H24N6 non-polymer 0.00 0.00 AQ5 AQ7 C12H20N2O4 non-polymer 0.64 0.33 AQ7 AQ8 C25Cl1H26N3O1 non-polymer 0.00 0.00 AQ8 AQ9 C32H50O13 non-polymer 1.00 0.53 AQ9 AQA C6H8O6 non-polymer 1.00 1.00 AQA AQB C34H40N10O2 non-polymer 0.38 0.04 AQB AQC C15H9N1O3 non-polymer 0.00 0.00 AQC AQD C21Cl1H26N3O2 non-polymer 0.00 0.00 AQD AQE C19H23N5S1 non-polymer 0.00 0.00 AQE AQG C23H30N6O2 non-polymer 0.50 0.23 AQG AQH C17H27N5O16P2 non-polymer 1.00 0.60 AQH AQJ C28H47N1O8 non-polymer 1.00 0.27 AQJ AQK C7H14N2O4 non-polymer 0.65 0.85 AQK AQM C36H43N11O2 non-polymer 0.38 0.04 AQM AQN C14H8O5S1 non-polymer 0.00 0.00 AQN AQO C8H7N3O1 non-polymer 0.00 0.00 AQO AQP C10H17N5O16P4 non-polymer 1.00 0.29 AQP AQQ C8H16N2O4 non-polymer 0.64 0.86 AQQ AQS C20H25N3O4S1 non-polymer 0.00 0.00 AQS AQT C25Cl1H26N3O1 non-polymer 0.00 0.00 AQT AQU C28H28N8O1 non-polymer 0.38 0.05 AQU AQV C22H22N2O3 non-polymer 0.00 0.00 AQV AQW C24Cl2H23N3 non-polymer 0.00 0.00 AQW AQY C25F1H19N6O2 non-polymer 0.00 0.00 AQY AQZ C32H37N7O4 non-polymer 0.00 0.00 AQZ AR AR1 non-polymer 0.00 0.00 AR AR0 C14H25N5O3 peptide-like 0.00 0.00 AR0 AR1 C20H28N11O4 non-polymer 0.45 0.20 AR1 AR2 C14H17N5O3S1 L-peptide linking 0.32 0.39 AR2 AR3 C9H13N3O5 non-polymer 1.00 0.59 AR3 AR4 C10F1H16N1O8 L-peptide linking 1.00 0.95 AR4 AR5 C11H22N4O4 non-polymer 0.61 0.74 AR5 AR6 C15H23N5O14P2 non-polymer 1.00 0.64 AR6 AR7 C6H17N4O2 peptide-like 0.50 0.83 AR7 AR8 C37H60N8O19 non-polymer 0.88 0.75 AR8 AR9 C24H45N3O4 non-polymer 0.00 0.00 AR9 ARA C5H10O5 L-saccharide 1.00 1.00 ARA ARB C5H10O5 L-saccharide 1.00 1.00 ARB ARC C20H42O1 non-polymer 0.00 0.00 ARC ARD C55H81N1O12S1 non-polymer 0.00 0.00 ARD ARE C31H53N1O23 saccharide 1.00 0.82 ARE ARF C1H3N1O1 L-peptide NH3 amino terminus 0.00 0.00 ARF ARG C6H15N4O2 L-peptide linking 0.43 0.83 ARG ARG_LEO2 C6H13N4O2 NA 0.39 0.83 ARG_LEO2 ARG_LEO2H C6H14N4O2 NA 0.43 0.83 ARG_LEO2H ARG_LEO2H_DHH12 C6H13N4O2 NA 0.43 0.83 ARG_LEO2H_DHH12 ARG_LEO2H_DHH22 C6H13N4O2 NA 0.43 0.83 ARG_LEO2H_DHH22 ARG_LEO2H_RNH1 C6H14N4O2 NA 0.43 0.83 ARG_LEO2H_RNH1 ARG_LEO2_DHH12 C6H12N4O2 NA 0.39 0.83 ARG_LEO2_DHH12 ARG_LEO2_DHH22 C6H12N4O2 NA 0.39 0.83 ARG_LEO2_DHH22 ARG_LEO2_RNH1 C6H13N4O2 NA 0.39 0.83 ARG_LEO2_RNH1 ARG_LFOH C6H15N4O2 NA 0.43 0.83 ARG_LFOH ARG_LFOH_DHH12 C6H14N4O2 NA 0.43 0.83 ARG_LFOH_DHH12 ARG_LFOH_DHH22 C6H14N4O2 NA 0.43 0.83 ARG_LFOH_DHH22 ARG_LFOH_RNH1 C6H15N4O2 NA 0.43 0.83 ARG_LFOH_RNH1 ARG_LFZW C6H15N4O2 NA 0.39 0.83 ARG_LFZW ARG_LFZW_DHH12 C6H14N4O2 NA 0.39 0.83 ARG_LFZW_DHH12 ARG_LFZW_DHH22 C6H14N4O2 NA 0.39 0.83 ARG_LFZW_DHH22 ARG_LFZW_RNH1 C6H15N4O2 NA 0.39 0.83 ARG_LFZW_RNH1 ARG_LL C6H13N4O1 NA 0.00 0.00 ARG_LL ARG_LL_DHH12 C6H12N4O1 NA 0.00 0.00 ARG_LL_DHH12 ARG_LL_DHH22 C6H12N4O1 NA 0.00 0.00 ARG_LL_DHH22 ARG_LL_RNH1 C6H13N4O1 NA 0.00 0.00 ARG_LL_RNH1 ARG_LSN3 C6H15N4O1 NA 0.00 0.00 ARG_LSN3 ARG_LSN3_DHH12 C6H14N4O1 NA 0.00 0.00 ARG_LSN3_DHH12 ARG_LSN3_DHH22 C6H14N4O1 NA 0.00 0.00 ARG_LSN3_DHH22 ARG_LSN3_RNH1 C6H15N4O1 NA 0.00 0.00 ARG_LSN3_RNH1 ARI C8H14O4 D-saccharide 0.00 0.00 ARI ARJ C11H13N5O3 non-polymer 0.00 0.00 ARJ ARK C25H36N8O13 non-polymer 0.68 0.65 ARK ARL C23H32O2 non-polymer 0.95 0.64 ARL ARM C7H16N4O1 L-peptide linking 0.00 0.00 ARM ARN C5H9N1O1 non-polymer 0.00 0.00 ARN ARO C6H15N4O3 L-peptide linking 0.50 0.85 ARO ARP C8H11N5O1 non-polymer 0.00 0.00 ARP ARQ C30H38N3O4 non-polymer 0.56 0.51 ARQ ARR C20Cl1H20N3S1 non-polymer 0.00 0.00 ARR ARS As1 non-polymer 0.00 0.00 ARS ART As1O4 non-polymer 0.00 0.00 ART ARU Br2C15H24N5O12P3 non-polymer 1.00 0.27 ARU ARV C9H19N4O2 L-peptide linking 0.43 0.93 ARV ARW C6H12O5 non-polymer 1.00 0.91 ARW ARX C28H47N15O7 peptide-like 1.00 0.22 ARX ARZ C13H18N4O3S2 non-polymer 0.00 0.00 ARZ AS C10H14N5O5P1S1 DNA linking 1.00 0.41 AS AS0 C28H35N1O4 non-polymer 0.55 0.21 AS0 AS1 C10H18N4O6 non-polymer 0.86 0.95 AS1 AS2 C4H7N1O3 D-peptide linking 0.61 1.00 AS2 AS3 C9H14N2 non-polymer 0.00 0.00 AS3 AS4 C21H28O5 non-polymer 0.50 0.27 AS4 AS5 C16H28N2O10 non-polymer 1.00 1.00 AS5 AS6 C26H33N5O4S1 non-polymer 0.36 0.11 AS6 AS7 C12H13N3O3 L-peptide linking 0.00 0.00 AS7 AS8 C2H4O5S1 non-polymer 0.00 0.00 AS8 AS9 C5H10N1O6P1 L-peptide linking 0.86 0.69 AS9 ASA C4H7N1O3 L-peptide linking 0.61 1.00 ASA ASB C6H9N1O6 L-peptide linking 0.88 1.00 ASB ASC C6H8O6 non-polymer 1.00 1.00 ASC ASD C19H26O2 non-polymer 0.00 0.00 ASD ASE C12H14N2O2 non-polymer 0.00 0.00 ASE ASF C7H14O4S1 non-polymer 0.00 0.00 ASF ASG C8H15N1O9S1 D-saccharide 1.00 0.79 ASG ASH C21Cl1H19N6O1 non-polymer 0.00 0.00 ASH ASI C4H6N1O4 L-peptide linking 0.84 1.00 ASI ASJ C4H9N1O3 peptide-like 0.72 1.00 ASJ ASK C5H9N1O3 L-peptide linking 0.59 1.00 ASK ASL C7H11N1O6 L-peptide linking 0.98 1.00 ASL ASM C8H10N2O3 L-peptide linking 0.00 0.00 ASM ASN C4H8N2O3 L-peptide linking 0.00 0.00 ASN ASN_LEO2 C4H6N2O3 NA 0.00 0.00 ASN_LEO2 ASN_LEO2H C4H7N2O3 NA 0.00 0.00 ASN_LEO2H ASN_LFOH C4H8N2O3 NA 0.00 0.00 ASN_LFOH ASN_LFZW C4H8N2O3 NA 0.00 0.00 ASN_LFZW ASN_LL C4H6N2O2 NA 0.00 0.00 ASN_LL ASN_LSN3 C4H8N2O2 NA 0.00 0.00 ASN_LSN3 ASO C6H12O5 saccharide 1.00 1.00 ASO ASP C4H7N1O4 L-peptide linking 0.86 1.00 ASP ASP_LEO2 C4H5N1O4 NA 0.84 1.00 ASP_LEO2 ASP_LEO2H C4H6N1O4 NA 0.86 1.00 ASP_LEO2H ASP_LEO2H_DHD2 C4H5N1O4 NA 0.84 1.00 ASP_LEO2H_DHD2 ASP_LEO2_DHD2 C4H4N1O4 NA 0.83 1.00 ASP_LEO2_DHD2 ASP_LFOH C4H7N1O4 NA 0.86 1.00 ASP_LFOH ASP_LFOH_DHD2 C4H6N1O4 NA 0.84 1.00 ASP_LFOH_DHD2 ASP_LFZW C4H7N1O4 NA 0.84 1.00 ASP_LFZW ASP_LFZW_DHD2 C4H6N1O4 NA 0.83 1.00 ASP_LFZW_DHD2 ASP_LL C4H5N1O3 NA 0.00 0.00 ASP_LL ASP_LL_DHD2 C4H4N1O3 NA 0.00 0.00 ASP_LL_DHD2 ASP_LSN3 C4H7N1O3 NA 0.00 0.00 ASP_LSN3 ASP_LSN3_DHD2 C4H6N1O3 NA 0.00 0.00 ASP_LSN3_DHD2 ASQ C4H8N1O7P1 L-peptide linking 0.84 0.69 ASQ ASR As1C6H8N1O3 non-polymer 0.00 0.00 ASR ASS C29H39N3O1 non-polymer 0.50 0.15 ASS AST As1O3 non-polymer 0.00 0.00 AST ASU C5H11O6P1S1 DNA linking 1.00 0.69 ASU ASV C13H21N3O6S1 non-polymer 0.50 0.30 ASV ASW C21H19N3O3S1 non-polymer 0.00 0.00 ASW ASY C18H32O3 non-polymer 0.33 0.29 ASY ASZ C4H11N1O3S1 non-polymer 0.20 0.33 ASZ AT1 C11H19N2O7P1 non-polymer 0.38 0.10 AT1 AT2 C14H21N3O2 non-polymer 0.00 0.00 AT2 AT3 C7H16N1O1S1 non-polymer 0.20 0.30 AT3 AT4 C10H15N5O9P2S1 non-polymer 1.00 0.37 AT4 AT5 C15Cl2H21N1O5 non-polymer 1.00 0.70 AT5 AT6 C16H16N4O1 non-polymer 0.00 0.00 AT6 AT7 C10H14N8O6P1 non-polymer 1.00 0.40 AT7 AT8 C24Cl3H22N3 non-polymer 0.00 0.00 AT8 ATA C18H30N8O6S1 non-polymer 1.00 0.33 ATA ATC C25H30N4O8 non-polymer 0.20 0.08 ATC ATD C10H15N2O8P1 DNA linking 1.00 0.81 ATD ATE C19H30O1 non-polymer 0.00 0.00 ATE ATF C11F2H16N5O12P3 non-polymer 1.00 0.30 ATF ATG C10H16N5O12P3S1 non-polymer 1.00 0.32 ATG ATH C6H3O7 non-polymer 0.93 1.00 ATH ATI C21H38N4O8 non-polymer 0.86 0.76 ATI ATJ C2H7O3P1 non-polymer 0.00 0.00 ATJ ATK C22H22N6O2 non-polymer 0.00 0.00 ATK ATL C11H15N2O9P1 RNA linking 1.00 0.83 ATL ATM C10H14N5O7P1 DNA linking 1.00 0.74 ATM ATO C3Cl1H5O1 non-polymer 0.00 0.00 ATO ATP C10H16N5O13P3 non-polymer 1.00 0.32 ATP ATQ C3H6N2S1 non-polymer 0.00 0.00 ATQ ATR C10H16N5O13P3 non-polymer 1.00 0.32 ATR ATS As1C11H18N5O12P2 non-polymer 1.00 0.32 ATS ATT C13H15N5O2S2 non-polymer 0.00 0.00 ATT ATU C16H11N3O3 non-polymer 0.00 0.00 ATU ATV C15H11N1O3 non-polymer 0.00 0.00 ATV ATW C20H20N6O2 non-polymer 0.36 0.14 ATW ATX C9H15N3O2 non-polymer 0.43 0.64 ATX ATY C12H18N2O12P2 non-polymer 1.00 0.61 ATY ATZ C8Cl1H14N5 non-polymer 0.36 0.29 ATZ AU Au1 non-polymer 0.00 0.00 AU AU1 C10H16N6O9P2 non-polymer 1.00 0.37 AU1 AU2 C22Cl2H20N3 non-polymer 0.00 0.00 AU2 AU3 Au1 non-polymer 0.00 0.00 AU3 AU4 C17H23N3 non-polymer 0.20 0.15 AU4 AU5 C24H32N6O3 non-polymer 0.00 0.00 AU5 AU6 C15H14N2O3 non-polymer 0.00 0.00 AU6 AU7 C26Cl1H24N1O3 non-polymer 0.44 0.19 AU7 AU8 C13Cl2H12N1 non-polymer 0.00 0.00 AU8 AUB C24H32N2O4 non-polymer 0.00 0.00 AUB AUC Au1C2N2 non-polymer 0.00 0.00 AUC AUD C4H5N1O4S1 non-polymer 0.00 0.00 AUD AUE C12Cl1H10N7 non-polymer 0.00 0.00 AUE AUF Au1C6H15P1 non-polymer 0.00 0.00 AUF AUG Br1C12H10N7 non-polymer 0.00 0.00 AUG AUH C25H27N3O1 non-polymer 0.00 0.00 AUH AUI C25H33N1O2 non-polymer 0.46 0.46 AUI AUJ C14H23N4O10P2S1 non-polymer 0.00 0.00 AUJ AUK C25H33N1O2 non-polymer 0.38 0.46 AUK AUL C24H42N3O16P3 non-polymer 1.00 0.28 AUL AUN Br1C22H20N5O2 non-polymer 0.57 0.20 AUN AUO C38H60O18 non-polymer 1.00 0.61 AUO AUP C24H21N2P1 non-polymer 0.00 0.00 AUP AUQ C16H16I1N1O3 non-polymer 0.57 0.29 AUQ AUR C25H32O8 non-polymer 1.00 0.42 AUR AUT C15Cl2H15N1 non-polymer 0.00 0.00 AUT AUU C8H13N1O2 non-polymer 0.00 0.00 AUU AUV C13H10O3 non-polymer 0.00 0.00 AUV AUW C24Cl2H23N3 non-polymer 0.00 0.00 AUW AUX C21H29N2O3 non-polymer 0.64 0.58 AUX AUY C12H12N2O2S1 non-polymer 0.00 0.00 AUY AUZ Au2C24H24N4O2 non-polymer 0.00 0.00 AUZ AV0 C47H88O22 non-polymer 1.00 0.77 AV0 AV1 Br1C15H22N5O13P2 non-polymer 1.00 0.61 AV1 AV2 C10H14N5O12P2V1 non-polymer 1.00 0.33 AV2 AV4 C15H15N1O2 non-polymer 0.20 0.17 AV4 AV5 C20Cl1H14N3O3 non-polymer 0.00 0.00 AV5 AV6 C17H14N2O2 non-polymer 0.00 0.00 AV6 AV7 C15H13N1O3 non-polymer 0.00 0.00 AV7 AV9 C22Cl1H19N4O5 non-polymer 0.00 0.00 AV9 AVA C12H9N1O2 non-polymer 0.00 0.00 AVA AVB Br1C11H14N3O1 non-polymer 0.00 0.00 AVB AVC C10H13N5O9P1V1 RNA linking 1.00 0.38 AVC AVD C23Cl2F2H12N2O5 non-polymer 0.00 0.00 AVD AVE C16Cl1F5H8N2O5 non-polymer 0.00 0.00 AVE AVF C20Cl1F3H17N3O4 non-polymer 0.00 0.00 AVF AVG C6H14N2O3 non-polymer 0.67 1.00 AVG AVH C8H14O2 non-polymer 0.40 0.50 AVH AVI C8H13N3O2 non-polymer 0.50 0.62 AVI AVJ C9H16N3O2 non-polymer 0.50 0.57 AVJ AVK C18Cl1H18N3 non-polymer 0.00 0.00 AVK AVL C14H18N2O1 non-polymer 0.56 0.29 AVL AVM C24H18N2O3 non-polymer 0.00 0.00 AVM AVN C5Cl1H7N2O3 L-peptide linking 0.00 0.00 AVN AVO C10H17N3O2 non-polymer 0.00 0.00 AVO AVP C8H14N5O12P3 non-polymer 0.00 0.00 AVP AVQ C13Cl2H10N4O1S1 non-polymer 0.00 0.00 AVQ AVR C13H17N3O1 non-polymer 0.43 0.29 AVR AVT C21F1H16N3O4 non-polymer 0.00 0.00 AVT AVU C15F1H22N5O12P2 non-polymer 1.00 0.60 AVU AVV C15F1H22N5O13P2 non-polymer 1.00 0.61 AVV AVW C15F1H22N5O12P2 non-polymer 1.00 0.60 AVW AVX Br1C11H10N3O2 non-polymer 0.00 0.00 AVX AVY C31H48N4O10S1 non-polymer 0.56 0.11 AVY AVZ C18Cl1H19N3 non-polymer 0.00 0.00 AVZ AW0 C24H34N8O4 non-polymer 1.00 0.36 AW0 AW1 C27H40N8O4 non-polymer 1.00 0.44 AW1 AW2 Br1C28H40N7O4 non-polymer 1.00 0.43 AW2 AW3 Br1C25H34N7O4 non-polymer 1.00 0.38 AW3 AW4 C22Cl1H32N3O8S1 non-polymer 0.42 0.51 AW4 AW5 C8H8O3 non-polymer 0.00 0.00 AW5 AW7 C13H10N4O1 non-polymer 0.00 0.00 AW7 AW8 C20Cl1F1H15N3O3 non-polymer 0.00 0.00 AW8 AW9 C5H6O4 non-polymer 0.97 1.00 AW9 AWA C12H12N2O4 non-polymer 0.00 0.00 AWA AWB C28H40N2O9 non-polymer 0.00 0.00 AWB AWC C13H15N2O7P1Se1 DNA linking 1.00 0.38 AWC AWD C12F1H16N3O1 non-polymer 0.00 0.00 AWD AWE C13Cl1F1H11N1 non-polymer 0.00 0.00 AWE AWF C22F1H23N6O2S1 non-polymer 0.50 0.19 AWF AWG C13H12N4 non-polymer 0.00 0.00 AWG AWH C20H16N2O6S1 non-polymer 0.00 0.00 AWH AWJ C22F1H25N6O3S1 non-polymer 0.61 0.21 AWJ AWK C25Cl1H26N3 non-polymer 0.00 0.00 AWK AWM C12H15N3S1 non-polymer 0.00 0.00 AWM AWN C22Cl1H20N3 non-polymer 0.00 0.00 AWN AWP C14H21N3O1 non-polymer 0.00 0.00 AWP AWQ C11H15N1O4 non-polymer 0.00 0.00 AWQ AWR C17F3H18N3O1 non-polymer 0.00 0.00 AWR AWS C13H15N1O3 non-polymer 0.20 0.18 AWS AWT C22H23N5O2 non-polymer 0.00 0.00 AWT AWU C15H24N2O16P2 non-polymer 1.00 0.60 AWU AWV C15H20N2 non-polymer 0.00 0.00 AWV AWW C24H27N3O3S1 non-polymer 0.00 0.00 AWW AWY C15H17N1O2 non-polymer 0.00 0.00 AWY AWZ C23H25N5O2S1 non-polymer 0.00 0.00 AWZ AX1 C14H9N5O3 non-polymer 0.00 0.00 AX1 AX2 C3H6N6 non-polymer 1.00 0.89 AX2 AX3 C6H10N6 non-polymer 1.00 0.75 AX3 AX4 C11H12N4S1 non-polymer 1.00 0.50 AX4 AX5 C11H12N4S1 non-polymer 1.00 0.50 AX5 AX6 C12H14N4O1S1 non-polymer 1.00 0.44 AX6 AX7 C7H7N3 non-polymer 0.00 0.00 AX7 AX8 C14Cl2H11N3 non-polymer 0.00 0.00 AX8 AXA C22H21N5O5S1 non-polymer 0.00 0.00 AXA AXB C24H21N5O6S2 non-polymer 0.00 0.00 AXB AXC C18H14N6S1 non-polymer 0.00 0.00 AXC AXD C21H29N5O3 non-polymer 0.00 0.00 AXD AXE C22H21N3O2 non-polymer 0.00 0.00 AXE AXF C24H42N4O4S2 non-polymer 0.00 0.00 AXF AXG C16H20N2 non-polymer 0.00 0.00 AXG AXH C25H28N4O2S1 non-polymer 0.00 0.00 AXH AXI C22H18N4O1S1 non-polymer 0.50 0.14 AXI AXJ C15H25N1O1 non-polymer 0.00 0.00 AXJ AXK C20Cl2H17O5P1 non-polymer 0.00 0.00 AXK AXL C16H21N3O5S1 non-polymer 0.00 0.00 AXL AXM C12H19N1O2 non-polymer 0.00 0.00 AXM AXN C24H30N4O4S1 non-polymer 0.00 0.00 AXN AXO C2H5N1O1 non-polymer 0.00 0.00 AXO AXP C10H20N1O9P1 D-saccharide 1.00 0.81 AXP AXQ C31H55N5O7S2 non-polymer 0.56 0.11 AXQ AXR C6H12O5 D-saccharide 1.00 0.91 AXR AXS C12F1H16N1O1 non-polymer 0.00 0.00 AXS AXT C40H52O4 non-polymer 0.38 0.18 AXT AXV C8H6N4 non-polymer 0.00 0.00 AXV AXW C20F1H27N4O1 non-polymer 0.00 0.00 AXW AXX C13H16N2O2S1 non-polymer 0.00 0.00 AXX AXY C27H22O3 non-polymer 0.00 0.00 AXY AXZ C11H18N2O5S1 non-polymer 0.84 0.37 AXZ AY0 C12H14N1O7P1 peptide-like 0.00 0.00 AY0 AY1 C27H38N2O9 non-polymer 0.69 0.16 AY1 AY2 C25H23N3O4 non-polymer 0.62 0.09 AY2 AY4 C9F2H6N2O1 non-polymer 0.00 0.00 AY4 AY5 C20Cl2H17O5P1 non-polymer 0.00 0.00 AY5 AY6 C22Cl3H21N4O1 non-polymer 0.00 0.00 AY6 AY7 C20Cl1F2H18N5O3 non-polymer 0.00 0.00 AY7 AY8 C19F2H21O4P1 non-polymer 0.00 0.00 AY8 AY9 C6H8O4 non-polymer 1.00 1.00 AY9 AYA C5H9N1O3 L-peptide linking 0.64 1.00 AYA AYB C20H32N7O10P1 non-polymer 1.00 0.55 AYB AYC C8H13N1O4 non-polymer 0.00 0.00 AYC AYD C11H20N4O7P2 non-polymer 0.58 0.25 AYD AYE C3H7N1 non-polymer 0.36 1.00 AYE AYG C14H15N3O4 L-peptide linking 0.00 0.00 AYG AYH C29H47N3O4 non-polymer 0.42 0.28 AYH AYI C22H32N5O9P1 peptide-like 0.00 0.00 AYI AYJ C9H18N2O3S1 non-polymer 0.00 0.00 AYJ AYK C26H41N1O3 non-polymer 0.36 0.13 AYK AYL C19H24N5O8P1 non-polymer 1.00 0.45 AYL AYM C19H20N4O1 non-polymer 0.50 0.17 AYM AYN C16F3H11N2O1 non-polymer 0.00 0.00 AYN AYO C26Cl2H29N3O5 non-polymer 0.38 0.06 AYO AYQ C21H29N6O10P1 peptide-like 0.00 0.00 AYQ AYS C13Cl1H11N2O1 non-polymer 0.00 0.00 AYS AYT C27H44O2 non-polymer 0.25 0.17 AYT AYU C17H27N5O16P2 non-polymer 1.00 0.60 AYU AYV C11H16N2O3 non-polymer 0.62 0.44 AYV AYW C9H8O3 non-polymer 0.00 0.00 AYW AYX C13H12N4O5S1 non-polymer 0.00 0.00 AYX AYZ C19F3H15N2O4 non-polymer 0.00 0.00 AYZ AZ0 C30H48N4O8 peptide-like 0.75 0.83 AZ0 AZ1 C9H16O4 non-polymer 0.00 0.00 AZ1 AZ2 C20H24O7S1 non-polymer 0.62 0.32 AZ2 AZ3 C21H28N4O2 non-polymer 0.00 0.00 AZ3 AZ4 C19F4H23N7O5S1 non-polymer 0.00 0.00 AZ4 AZ5 C14Cl1F1H14N8 non-polymer 0.00 0.00 AZ5 AZ6 C21H23N7O5S1 non-polymer 1.00 0.26 AZ6 AZ7 C17Cl3H13N2O2 non-polymer 0.00 0.00 AZ7 AZ8 C5H3N5O2 non-polymer 0.00 0.00 AZ8 AZ9 C6H5N5O2 non-polymer 0.00 0.00 AZ9 AZA C4H3N5O2 non-polymer 0.00 0.00 AZA AZB C15H16N2O1 non-polymer 0.00 0.00 AZB AZC C9H16N2O7 non-polymer 1.00 0.83 AZC AZD C10H15N5O10P2 non-polymer 1.00 0.63 AZD AZE C20H30 non-polymer 0.50 0.30 AZE AZF C5H12N2O3 non-polymer 1.00 1.00 AZF AZG C4H4N6O1 non-polymer 0.00 0.00 AZG AZH C4H9N4O2 L-peptide linking 0.00 0.00 AZH AZI N3 non-polymer 0.00 0.00 AZI AZJ C23H26N4O5S1 non-polymer 0.75 0.15 AZJ AZK C6H14N4O1 L-peptide linking 0.00 0.00 AZK AZL C21H33N5O4 peptide-like 0.00 0.00 AZL AZM C4H6N4O3S2 non-polymer 0.00 0.00 AZM AZN C14H8O7S1 non-polymer 0.00 0.00 AZN AZO C22H17N3O5 non-polymer 0.97 0.27 AZO AZP C32H43N5O9 non-polymer 0.75 0.67 AZP AZQ C16H20N4O2 non-polymer 0.20 0.14 AZQ AZR C13H19N5O8S2 non-polymer 0.81 0.61 AZR AZS C5H7N3O4 L-peptide linking 0.84 0.75 AZS AZT C10H16N5O13P3 non-polymer 1.00 0.55 AZT AZU C10H15N3O4S1 non-polymer 1.00 0.94 AZU AZV C26F3H31N4O4S1 non-polymer 0.59 0.21 AZV AZW C14H15N2O5P1 non-polymer 0.00 0.00 AZW AZX C19Cl1F3H18N2O5S1 non-polymer 0.50 0.35 AZX AZY C9H10N4O3 L-peptide linking 0.00 0.00 AZY AZZ C10H13N5O4 non-polymer 1.00 0.89 AZZ B00 C14H15N3O1 non-polymer 0.00 0.00 B00 B01 C20Cl1H23N4O2 peptide-like 0.00 0.00 B01 B02 C21H21N3O1 non-polymer 0.00 0.00 B02 B03 C20H24N4O2 peptide-like 0.00 0.00 B03 B04 C21H27N4O2 peptide-like 0.00 0.00 B04 B05 C20H16N2O4 non-polymer 0.00 0.00 B05 B06 C16F3H10N1O3 non-polymer 0.00 0.00 B06 B07 B1C10H14N1O5 non-polymer 0.00 0.00 B07 B08 C20H20O7P2 non-polymer 0.00 0.00 B08 B09 C7H9N1O3S1 non-polymer 0.00 0.00 B09 B0A C14H19N1O2 non-polymer 0.00 0.00 B0A B0B C27H42O2 non-polymer 0.38 0.17 B0B B0D C6F2H10O5 D-saccharide 1.00 0.85 B0D B0E C13H8O4 non-polymer 0.00 0.00 B0E B0F C45H56N6O8S2 peptide-like 0.47 0.21 B0F B0G C13H17N1O3 non-polymer 0.00 0.00 B0G B0H C17H24N4O2S1 non-polymer 0.00 0.00 B0H B0I C14H14 non-polymer 0.00 0.00 B0I B0J C14H21N1O2 non-polymer 0.00 0.00 B0J B0K Br4C10H9N3 non-polymer 0.00 0.00 B0K B0L C22H25N1O3 non-polymer 1.00 0.88 B0L B0M C14H17N3O1 non-polymer 0.00 0.00 B0M B0N C15H15N3O1 non-polymer 0.00 0.00 B0N B0O C22H25N1O2 non-polymer 0.50 0.32 B0O B0Q C18H16N6O1 non-polymer 0.00 0.00 B0Q B0R C17F2H17N5O4S1 non-polymer 0.00 0.00 B0R B0S B1C13H29O2 non-polymer 0.00 0.00 B0S B0T C26H32N2O7 non-polymer 0.50 0.20 B0T B0U C9H19N1O5 non-polymer 0.98 1.00 B0U B0V C12H17N1O2 non-polymer 0.64 0.40 B0V B0W C15H17N3O7 non-polymer 1.00 0.56 B0W B0X C23H21N3O4 non-polymer 0.00 0.00 B0X B0Y C12H15N3O1S1 non-polymer 0.00 0.00 B0Y B0Z C15F3H16N3O5 non-polymer 1.00 0.54 B0Z B10 C33H39N5O5S1 non-polymer 0.38 0.05 B10 B11 C24F1H26N3O4S1 non-polymer 0.00 0.00 B11 B12 C62Co1H89N13O14P1 non-polymer 1.00 0.11 B12 B13 C60Co1H88N13O15P1 non-polymer 1.00 0.11 B13 B14 C19F2H16N6O1 non-polymer 0.00 0.00 B14 B15 C20Cu1H21N3O7S1 non-polymer 0.00 0.00 B15 B16 C6H14O12P2 D-saccharide 1.00 0.60 B16 B17 C17Cu1H23N3O9S1 non-polymer 0.67 0.39 B17 B18 C21H24N6O3S1 non-polymer 0.45 0.23 B18 B19 C12H22N2O7S1 non-polymer 1.00 0.55 B19 B1A C14H14N2O1 non-polymer 0.00 0.00 B1A B1B C14Cl1H20N3O3 non-polymer 0.00 0.00 B1B B1C C14H19N1O5 non-polymer 0.56 0.70 B1C B1E C27H25N5O2 non-polymer 0.38 0.06 B1E B1F B1C8H12N1O2 L-peptide linking 0.00 0.00 B1F B1H C14H17N4O7 non-polymer 1.00 0.56 B1H B1J C9Cl1H8N3O1 non-polymer 0.00 0.00 B1J B1K C15H19N3O6 non-polymer 1.00 0.58 B1K B1L C20H22N2O5 non-polymer 0.00 0.00 B1L B1M C61Co1H86N13O15P1 non-polymer 1.00 0.11 B1M B1N C14H17N3O6 non-polymer 1.00 0.61 B1N B1O C23F1H20N3O4 non-polymer 0.00 0.00 B1O B1P C5H11O7P1 DNA linking 1.00 0.69 B1P B1Q C20F1H28N3O3 non-polymer 0.00 0.00 B1Q B1R C20H16N2O2Ru1S1 non-polymer 0.00 0.00 B1R B1S C21H31N3O8S1 peptide-like 0.39 0.58 B1S B1T C12Cl4H6O2S1 non-polymer 0.00 0.00 B1T B1U C17H17N7O9S1 non-polymer 1.00 0.41 B1U B1V C12F3H14N3O2S1 non-polymer 0.00 0.00 B1V B1W C14H18N4O5 non-polymer 1.00 0.61 B1W B1X C18H17N7O7S1 non-polymer 1.00 0.42 B1X B1Y C7H14N2O5S1 non-polymer 0.00 0.00 B1Y B1Z C72Co1H101N18O17P1 non-polymer 1.00 0.17 B1Z B2 C12F1H10N3S1 non-polymer 0.00 0.00 B2 B20 B1C4H6N1 non-polymer 0.00 0.00 B20 B21 C12H10O4 non-polymer 0.00 0.00 B21 B22 C21Cu1H22N4O8S1 non-polymer 0.00 0.00 B22 B23 C11H7N1O5 non-polymer 0.00 0.00 B23 B24 B1C6H10N1 non-polymer 0.00 0.00 B24 B25 C9H8N4O2 non-polymer 0.00 0.00 B25 B26 Br1C42F2H45I1N6O11P1 peptide-like 0.00 0.00 B26 B27 C4H11N1O1S1 L-peptide COOH carboxy terminus 0.00 0.00 B27 B28 C20H20O7P2 non-polymer 0.00 0.00 B28 B29 C20H18O8P2 non-polymer 0.00 0.00 B29 B2A B1C2H8N1O2 peptide-like 0.00 0.00 B2A B2B C34H54O12 non-polymer 0.93 0.63 B2B B2D C21H17N7O1 non-polymer 0.00 0.00 B2D B2E C9H11N3O6 non-polymer 1.00 0.89 B2E B2F B1C8H12N1O2 peptide-like 0.00 0.00 B2F B2G C12H22O11 saccharide 1.00 1.00 B2G B2H C17H20N4O4 L-peptide linking 0.00 0.00 B2H B2I B1C5H14N1O2 peptide-like 0.00 0.00 B2I B2J C6H10N4S1 non-polymer 0.00 0.00 B2J B2K C12H13N3O2S1 non-polymer 0.00 0.00 B2K B2L C17H15N3O1 non-polymer 0.00 0.00 B2L B2M Br1C18Cl2H12N3O2 non-polymer 0.25 0.19 B2M B2N C5H10N2O3 L-peptide linking 0.00 0.00 B2N B2P Br1C4H7O2 non-polymer 0.93 0.57 B2P B2Q C19H30N2O2 non-polymer 0.00 0.00 B2Q B2S C15H20O6 non-polymer 1.00 0.90 B2S B2T C10Cl1H9N4S1 non-polymer 0.00 0.00 B2T B2U C20Cl1H18N1O6 non-polymer 0.45 0.32 B2U B2V B1C4H12N1O2 peptide-like 0.00 0.00 B2V B2W C6F3H7N2 non-polymer 0.00 0.00 B2W B2X C16Cl1H13N4O1S1 non-polymer 0.00 0.00 B2X B2Y C13H13N1 non-polymer 0.00 0.00 B2Y B2Z C19F1H20N3O2 non-polymer 0.00 0.00 B2Z B30 C13Cu1H15N3O7S1 non-polymer 0.00 0.00 B30 B31 C21H41N5O12 non-polymer 1.00 0.82 B31 B32 C22H38N6O3S1 non-polymer 1.00 0.28 B32 B33 C11H27N3 non-polymer 0.00 0.00 B33 B34 C21H20N2O4S1 non-polymer 0.00 0.00 B34 B35 C19F1H19N4O4 non-polymer 0.00 0.00 B35 B36 C31H28N2O1 non-polymer 0.00 0.00 B36 B37 C32H29N3O1 non-polymer 0.00 0.00 B37 B38 C22H21N3O3 non-polymer 0.00 0.00 B38 B39 C21H25N5O4S1 non-polymer 1.00 0.29 B39 B3A C4H9N1O2 L-peptide linking 0.61 1.00 B3A B3B C17H13N3O1S1 non-polymer 0.00 0.00 B3B B3C C44H51N5O7 non-polymer 0.00 0.00 B3C B3D C5H9N1O4 peptide-like 0.68 1.00 B3D B3E C6H11N1O4 L-peptide linking 0.00 0.00 B3E B3G C22Cl1H32N3O8S1 non-polymer 0.42 0.51 B3G B3H C16H30O5 non-polymer 1.00 0.67 B3H B3I C7H3I3O2 non-polymer 0.00 0.00 B3I B3J C31H48N4O10S1 non-polymer 0.56 0.11 B3J B3K C7H16N2O2 L-peptide linking 0.00 0.00 B3K B3L C7H15N1O2 L-peptide linking 0.00 0.00 B3L B3M C6H13N1O2S1 L-peptide linking 0.00 0.00 B3M B3N C16H25N3O3 non-polymer 0.20 0.14 B3N B3O C22H25N1O2 non-polymer 0.00 0.00 B3O B3P C11H26N2O6 non-polymer 0.72 1.00 B3P B3Q C6H12N2O3 L-peptide linking 0.00 0.00 B3Q B3R Br1C6H5O1 non-polymer 0.00 0.00 B3R B3S C4H9N1O3 D-peptide linking 0.72 1.00 B3S B3T C5H11N1O3 L-peptide linking 0.68 1.00 B3T B3U C6H10N4O2 L-peptide linking 0.00 0.00 B3U B3V C13H22N2O3S1 non-polymer 0.00 0.00 B3V B3W C12Cl1H19N2O2S1 non-polymer 0.00 0.00 B3W B3X C5H10N2O3 L-peptide linking 0.00 0.00 B3X B3Y C10H13N1O3 L-peptide linking 0.00 0.00 B3Y B3Z C12F1H19N2O2S1 non-polymer 0.00 0.00 B3Z B40 C10H15N1 non-polymer 0.41 0.55 B40 B41 C11H15N1O2 non-polymer 0.41 0.43 B41 B42 C24H34N4O6S2 non-polymer 0.00 0.00 B42 B43 C23H22N4O1 non-polymer 0.00 0.00 B43 B44 C18H24N5O13P3 non-polymer 1.00 0.26 B44 B45 C28Cl3F1H27N3O1 non-polymer 0.36 0.11 B45 B46 C21H22N6O2S1 non-polymer 0.50 0.10 B46 B47 C20H23N5O3S1 non-polymer 0.00 0.00 B47 B48 C12H11N3S3 non-polymer 0.00 0.00 B48 B49 C22F1H27N4O2 non-polymer 0.46 0.34 B49 B4A C25H26N8O2S2 non-polymer 0.00 0.00 B4A B4B C25H22N6 non-polymer 0.00 0.00 B4B B4C C37H48N6O6 non-polymer 0.00 0.00 B4C B4D C11Cl1H14N3O4S3 non-polymer 0.42 0.14 B4D B4E C16Cl1H15N4O2 non-polymer 0.00 0.00 B4E B4F C33H32N4O8S1 non-polymer 0.00 0.00 B4F B4G C18H32O16 saccharide 1.00 1.00 B4G B4H C8H6N2O3 non-polymer 0.40 0.31 B4H B4J C24H26N4O4S1 non-polymer 0.00 0.00 B4J B4K C14H12N4O3 non-polymer 0.00 0.00 B4K B4L C13H19N5O1 non-polymer 0.00 0.00 B4L B4M Br3C1H1 non-polymer 0.00 0.00 B4M B4N C12H9N2O8P1 non-polymer 0.00 0.00 B4N B4O C12H17N1O2 non-polymer 0.00 0.00 B4O B4P C20H28N10O19P4 non-polymer 1.00 0.38 B4P B4Q C25H27N3 non-polymer 0.00 0.00 B4Q B4S C13F4H9N1O2S1 non-polymer 0.00 0.00 B4S B4T C63H94O33S4 non-polymer 0.88 0.53 B4T B4V C21H22N10O3S1 non-polymer 0.00 0.00 B4V B4W C18H18N4O1 non-polymer 0.00 0.00 B4W B4X C82H132O42S4 non-polymer 0.88 0.64 B4X B4Y C28H30N6O2S1 non-polymer 0.20 0.08 B4Y B4Z C18H19N3O2S1 non-polymer 0.00 0.00 B4Z B50 C29Cl1H37N4O3 non-polymer 0.00 0.00 B50 B51 FE3NI1S4 non-polymer 0.00 0.00 B51 B52 C10H11N5O4 non-polymer 0.41 0.42 B52 B53 C4H5N5O2 non-polymer 1.00 0.82 B53 B54 C14H15N5O5 non-polymer 1.00 0.42 B54 B55 C5H5N5O1S1 non-polymer 0.00 0.00 B55 B56 C8H9N5O3 non-polymer 0.00 0.00 B56 B57 C4H5N5O3 non-polymer 1.00 0.75 B57 B58 C5H6N6 non-polymer 0.00 0.00 B58 B59 C9H8N4O4 non-polymer 0.00 0.00 B59 B5A C11H16N6 non-polymer 0.00 0.00 B5A B5B C19H24N4 non-polymer 0.00 0.00 B5B B5D C8Cl1H9N2O2S1 non-polymer 0.00 0.00 B5D B5E C25F3H24N3 non-polymer 0.00 0.00 B5E B5F C12H15O20P5 non-polymer 0.00 0.00 B5F B5G C26H26N6O2S1 non-polymer 0.00 0.00 B5G B5H Br1C10H7N2O2 non-polymer 0.00 0.00 B5H B5K C23Cl1F3H21N3O4 non-polymer 0.39 0.15 B5K B5L C13H38N5 non-polymer 0.00 0.00 B5L B5M C18H20N5O9P1 non-polymer 1.00 0.42 B5M B5N C19F1H21N2O1 non-polymer 0.00 0.00 B5N B5O C22F3H20N3O2 non-polymer 0.00 0.00 B5O B5P C19H22N6O6S2 non-polymer 0.00 0.00 B5P B5Q C25H23N5O1 non-polymer 0.00 0.00 B5Q B5R C18Cl1F4H13N2O3 non-polymer 0.67 0.29 B5R B5S C23H26N3O4 non-polymer 0.00 0.00 B5S B5T C18H14N4O2S1 non-polymer 0.00 0.00 B5T B5U C27H34N6O2 non-polymer 0.00 0.00 B5U B5V C17H18N5O9P1 non-polymer 1.00 0.44 B5V B5W C22Cl1H23N1 non-polymer 0.00 0.00 B5W B5X C23F2H24N4O1 non-polymer 0.20 0.10 B5X B5Y C18H20N5O9P1 non-polymer 1.00 0.42 B5Y B5Z C23H26N6O3S1 non-polymer 0.00 0.00 B5Z B60 C7H9N5O1 non-polymer 0.00 0.00 B60 B61 C11H17N5O2 non-polymer 0.55 0.33 B61 B62 C7H11N5O1 non-polymer 0.00 0.00 B62 B63 C15H16N6O3 non-polymer 0.00 0.00 B63 B64 C14H11N1O5S2 non-polymer 0.97 0.55 B64 B65 C16H19O7P1S1 non-polymer 0.00 0.00 B65 B66 C18F3H16N3O5 non-polymer 0.83 0.28 B66 B67 C17F8H10N2O5 non-polymer 0.67 0.25 B67 B68 C19F3H18N3O6 non-polymer 0.67 0.26 B68 B69 C20H24K3O6P1S1 non-polymer 0.00 0.00 B69 B6A C20H22N4O1 non-polymer 0.00 0.00 B6A B6B C17H15N5O2 non-polymer 0.00 0.00 B6B B6D C10H18N2O5 D-saccharide 1.00 1.00 B6D B6E C26F4H17N5O4 non-polymer 0.00 0.00 B6E B6F C32Fe1H38N4O4S1 non-polymer 0.00 0.00 B6F B6G C14H21N6O8P1 non-polymer 1.00 0.59 B6G B6H C25H30N6O3S1 non-polymer 1.00 0.29 B6H B6J C18H14N6O2 non-polymer 0.00 0.00 B6J B6K C12H16O24P6 non-polymer 0.00 0.00 B6K B6L C25F7H20N1O4S1 non-polymer 0.21 0.18 B6L B6M C23H45N5O14 non-polymer 1.00 1.00 B6M B6N C22F4H12N4O1 non-polymer 0.00 0.00 B6N B6P C20H30N10O25P6 non-polymer 1.00 0.33 B6P B6Q C24H28N6O2S1 non-polymer 1.00 0.30 B6Q B6S C7H5N1O3S2 non-polymer 0.00 0.00 B6S B6T C16H14N4O1 non-polymer 0.00 0.00 B6T B6W C17Cl1H18N7O2 non-polymer 0.00 0.00 B6W B6X C11H20O4S1 non-polymer 0.00 0.00 B6X B6Y C26H46N4O10S1 non-polymer 0.56 0.12 B6Y B6Z C22H25N5O2S1 non-polymer 1.00 0.33 B6Z B70 C16H16K3O6P1S1 non-polymer 0.00 0.00 B70 B71 C17H32N1O7P2 non-polymer 0.00 0.00 B71 B72 C20H24O4 non-polymer 0.00 0.00 B72 B73 C17H35N2O6P2 non-polymer 0.00 0.00 B73 B74 C8H10O1 non-polymer 0.00 0.00 B74 B75 C24H23N1O9P2S1 non-polymer 0.00 0.00 B75 B76 C20H20O8P2 non-polymer 0.00 0.00 B76 B77 C14H15N1O2 non-polymer 0.00 0.00 B77 B78 C14H15N1O2 non-polymer 0.00 0.00 B78 B7A C10H15N2O15P3 non-polymer 1.00 0.60 B7A B7B C23H28N6O2 non-polymer 0.00 0.00 B7B B7C C12H16N3O7P1 DNA linking 1.00 0.39 B7C B7D C8Cl3H8N3O4S2 non-polymer 0.00 0.00 B7D B7E C22H26N4O2 non-polymer 0.00 0.00 B7E B7G C13H26O6 non-polymer 1.00 0.63 B7G B7H C15F1H13N4O1 non-polymer 0.00 0.00 B7H B7I C25H28N4O2 non-polymer 0.00 0.00 B7I B7J C10H16N3O14P3 non-polymer 1.00 0.60 B7J B7K C21H23N7O2 non-polymer 0.38 0.17 B7K B7M C16H28O1 non-polymer 0.38 0.47 B7M B7N C45H85O13P1 non-polymer 1.00 0.54 B7N B7P C9F1H14N2O14P3 non-polymer 1.00 0.55 B7P B7Q C20Cl1H22N7O2 non-polymer 0.00 0.00 B7Q B7S C9H6O4 non-polymer 0.00 0.00 B7S B7T C23H27N3O2 non-polymer 0.00 0.00 B7T B7V C17Cl1H18N5O3 non-polymer 0.00 0.00 B7V B7W C18H14N4 non-polymer 0.00 0.00 B7W B7X C26H40N7O20P3S1 non-polymer 1.00 0.40 B7X B7Z C19H23N7O2 non-polymer 0.00 0.00 B7Z B80 C22F1H23N4O6S2 non-polymer 0.00 0.00 B80 B81 C19H30O2 non-polymer 0.00 0.00 B81 B82 Br1C18H19N2O5S1 non-polymer 0.00 0.00 B82 B83 C27H28N2O4 non-polymer 0.00 0.00 B83 B84 C26H33N5O4S2 non-polymer 0.00 0.00 B84 B85 C7H9O3P1 non-polymer 0.00 0.00 B85 B86 C9F1H12N3O4 non-polymer 1.00 0.94 B86 B87 C22H25N5O1S1 non-polymer 0.00 0.00 B87 B88 C7H14N1O6P1 non-polymer 0.75 0.60 B88 B89 C17Cl1H24N1O4 non-polymer 0.62 0.26 B89 B8B B18C6Co1H7N2O2S1 non-polymer 0.00 0.00 B8B B8C C21H25N4O15P1 non-polymer 1.00 0.71 B8C B8D C7H14O6 D-saccharide 1.00 0.92 B8D B8E C13H13N1O2S1 non-polymer 0.56 0.35 B8E B8H C10H15N2O9P1 RNA linking 1.00 0.77 B8H B8J C33F3H35N8O2 non-polymer 0.00 0.00 B8J B8K C12H18N5O9P1 RNA linking 1.00 0.37 B8K B8L C32H36N2O7 non-polymer 0.00 0.00 B8L B8M C16H30O1 non-polymer 0.38 0.47 B8M B8N C14H22N3O11P1 RNA linking 1.00 0.59 B8N B8O C21H25N5O3 non-polymer 0.00 0.00 B8O B8P C17H15N3O3 non-polymer 0.00 0.00 B8P B8Q C10H18N3O8P1 RNA linking 1.00 0.45 B8Q B8R C13H27N3O3 L-peptide linking 0.20 0.16 B8R B8S C34Cl2F1H33N6O3 non-polymer 0.00 0.00 B8S B8T C10H16N3O8P1 RNA linking 1.00 0.45 B8T B8V C35F3H46N5O2S1 non-polymer 0.00 0.00 B8V B8W C11H16N5O8P1 RNA linking 1.00 0.40 B8W B8X C25H27N1O3S1 non-polymer 0.00 0.00 B8X B8Y C34Cl2F1H33N6O3 non-polymer 0.00 0.00 B8Y B90 C23H22N7O1P1 non-polymer 0.25 0.09 B90 B91 C29F3H25N8O1 non-polymer 0.14 0.15 B91 B92 C29H35N5O9 non-polymer 0.59 0.21 B92 B93 C29H35N7O7 non-polymer 0.59 0.21 B93 B94 C26Cl1H30N5O9 non-polymer 0.59 0.22 B94 B95 Br1C17H16N3O2 non-polymer 0.00 0.00 B95 B96 C31H37N5O3 non-polymer 0.38 0.05 B96 B97 C21H18N4O1S1 non-polymer 0.00 0.00 B97 B98 C13H15N3O2S1 non-polymer 0.00 0.00 B98 B99 C28H25N5O2 non-polymer 0.00 0.00 B99 B9A C46H58N8O2S2 non-polymer 0.00 0.00 B9A B9B C13H20N5O8P1 RNA linking 1.00 0.52 B9B B9C C24H27N7O2S1 non-polymer 0.00 0.00 B9C B9D C6F1H11O6 D-saccharide 1.00 0.92 B9D B9F C20Fe1H26N2O2S1 non-polymer 0.00 0.00 B9F B9H C13H24N3O8P1 RNA linking 1.00 0.40 B9H B9K C20H23N5O1S1 non-polymer 0.00 0.00 B9K B9L C21H25N3O2 non-polymer 0.40 0.50 B9L B9M C16H28O1 non-polymer 0.25 0.35 B9M B9N C24H22O7S1 non-polymer 0.00 0.00 B9N B9O C17H24N2O2S1 non-polymer 0.48 0.64 B9O B9P C26H24N2O2S1 non-polymer 0.00 0.00 B9P B9Q C26F1H25N4O3 non-polymer 0.00 0.00 B9Q B9R C17H25N3O2 non-polymer 0.48 0.64 B9R B9S C32F4H41N5O3S1 non-polymer 0.00 0.00 B9S B9T Br1C20F2H19N4O2 non-polymer 0.38 0.07 B9T B9U C16H22N2O3 non-polymer 0.59 0.62 B9U B9W C27F2H28N4O3 non-polymer 0.38 0.06 B9W B9X C17H26N5O9P1 non-polymer 1.00 0.59 B9X B9Y C30F4H41N5O3S1 non-polymer 0.00 0.00 B9Y B9Z C24H22O5S1 non-polymer 0.00 0.00 B9Z BA Ba1 non-polymer 0.00 0.00 BA BA1 C28H26N2O10 non-polymer 0.00 0.00 BA1 BA2 C26H42N10O5S1 non-polymer 1.00 0.24 BA2 BA3 C20H27N10O16P3 non-polymer 1.00 0.41 BA3 BA4 C17H23N3O7 non-polymer 1.00 0.63 BA4 BA5 C10H9N3O4 non-polymer 1.00 0.82 BA5 BA8 C22Cl1H18N3O2 non-polymer 0.00 0.00 BA8 BAA C11H21N3O4 non-polymer 0.56 0.28 BAA BAB C17H19N8 non-polymer 0.00 0.00 BAB BAC C8H8I1N1O1 non-polymer 0.00 0.00 BAC BAD C20H31N1O11 non-polymer 1.00 0.72 BAD BAE C6H13N1O1 non-polymer 0.38 0.75 BAE BAF C11H21N3O4 non-polymer 0.56 0.89 BAF BAG C13H19N5O2 non-polymer 0.38 0.45 BAG BAH C17H18N8O2 non-polymer 0.00 0.00 BAH BAI C16H14N6 non-polymer 0.00 0.00 BAI BAJ C34F4H45N5O2S1 non-polymer 0.38 0.04 BAJ BAK C17H16N8O1 non-polymer 0.00 0.00 BAK BAL C3H7N1O2 peptide-like 0.00 0.00 BAL BAM C7H9N2 non-polymer 0.00 0.00 BAM BAN C21H23N5O7 non-polymer 0.00 0.00 BAN BAO C17H14N8O1 non-polymer 0.00 0.00 BAO BAP C20H16O3 non-polymer 0.00 0.00 BAP BAQ C4H7N1O1 non-polymer 0.00 0.00 BAQ BAR C10H12O6 non-polymer 1.00 1.00 BAR BAS C10H13N1O1 non-polymer 0.00 0.00 BAS BAT C23H31N3O4S2 non-polymer 0.00 0.00 BAT BAU C14H16N2O4 non-polymer 0.00 0.00 BAU BAV C29H49N3O3 non-polymer 0.00 0.00 BAV BAW C18F1H17N2O2 non-polymer 0.00 0.00 BAW BAX C21Cl1F3H16N4O3 non-polymer 0.50 0.12 BAX BAY C64H82N4O10S2 non-polymer 0.50 0.43 BAY BAZ C17H16N8Zn1 non-polymer 0.00 0.00 BAZ BB0 C14H15N1O1 non-polymer 0.62 0.19 BB0 BB1 C16H31N3O4 non-polymer 0.47 0.83 BB1 BB2 C19H35N3O5 non-polymer 0.00 0.00 BB2 BB3 Br2C19H17N1O5S1 non-polymer 0.00 0.00 BB3 BB4 Br1C10H9N2O2 non-polymer 0.00 0.00 BB4 BB6 C4H7N1O2S1 peptide linking 0.93 0.75 BB6 BB7 C5H9N1O3S1 peptide linking 0.93 0.90 BB7 BB8 C9H11N1O3 L-peptide linking 0.00 0.00 BB8 BB9 C3H5N1O2S1 peptide linking 0.93 0.57 BB9 BBA C23H28N4O1 non-polymer 0.00 0.00 BBA BBB C21H22N2O6 non-polymer 1.00 0.38 BBB BBC C7H16N2O2S1 L-peptide linking 0.62 0.25 BBC BBE C19H20N4O4S1 non-polymer 1.00 0.36 BBE BBF Br1C6F5 non-polymer 0.00 0.00 BBF BBH C19H21N3O6S1 non-polymer 0.00 0.00 BBH BBI C25H29I2N1O3 non-polymer 0.50 0.26 BBI BBJ Br1C11F1H13N7O4S1 non-polymer 0.00 0.00 BBJ BBK C8H15N1O5S1 D-saccharide 1.00 0.80 BBK BBL C11H13N1O4 non-polymer 0.64 0.81 BBL BBM Br1C16F3H13I1N2O4 non-polymer 0.98 0.33 BBM BBN B1C8H8N3O2 non-polymer 0.00 0.00 BBN BBO C19H20N2O3 non-polymer 0.00 0.00 BBO BBP C14Cl1H16N3O1S1 non-polymer 0.38 0.10 BBP BBQ B1C32H44N4O9 non-polymer 0.38 0.04 BBQ BBR Br1C3H6O5P1 non-polymer 0.00 0.00 BBR BBS C10H14O3S1 non-polymer 0.38 0.14 BBS BBT C17H21N3O4 non-polymer 1.00 0.54 BBT BBU Br1C4H9 non-polymer 0.00 0.00 BBU BBV C15H21N1O6 non-polymer 1.00 0.68 BBV BBW C9H9N3 non-polymer 0.00 0.00 BBW BBX Br1C2H5 non-polymer 0.00 0.00 BBX BBY Br1C11H10N3O2 non-polymer 0.00 0.00 BBY BBZ C27H29N7 non-polymer 0.20 0.09 BBZ BC C22H18O3 non-polymer 0.00 0.00 BC BC0 C20Cl1H19N4S2 non-polymer 0.36 0.15 BC0 BC1 C19H17N3O3 non-polymer 0.00 0.00 BC1 BC2 C30H42N2O8 non-polymer 0.00 0.00 BC2 BC3 C12H11N5O1 non-polymer 0.00 0.00 BC3 BC4 C11H16N2O1S1 non-polymer 0.00 0.00 BC4 BC5 C12H12N2O2S1 non-polymer 0.00 0.00 BC5 BC6 C28H42N2O6 non-polymer 0.00 0.00 BC6 BC7 C32F3H44N5O4S1 non-polymer 0.58 0.16 BC7 BC8 C11H15N1O10 non-polymer 0.88 1.00 BC8 BC9 C27H43N1O6 non-polymer 0.00 0.00 BC9 BCA C28H40N7O18P3S1 non-polymer 1.00 0.40 BCA BCB C55H72Mg1N4O6 non-polymer 0.62 0.32 BCB BCC C16H20N2O3 peptide-like 0.00 0.00 BCC BCD C42H70O35 saccharide 1.00 0.87 BCD BCE C17H14N2O2 non-polymer 0.75 0.14 BCE BCF C6Cl1F5 non-polymer 0.00 0.00 BCF BCG C16H19N1O4 non-polymer 0.00 0.00 BCG BCH C9H20N1O1S1 non-polymer 0.20 0.25 BCH BCJ C34F3H49N6O5S2 non-polymer 0.00 0.00 BCJ BCK C11H12N2O1 non-polymer 0.00 0.00 BCK BCL C55H74Mg1N4O6 non-polymer 0.62 0.29 BCL BCM C12H18N2O7 non-polymer 1.00 0.95 BCM BCN C6H13N1O4 non-polymer 0.78 1.00 BCN BCO C25H42N7O17P3S1 non-polymer 1.00 0.43 BCO BCP Br1C5Cl1H2N4 non-polymer 0.00 0.00 BCP BCQ C31H42N4O8S2 non-polymer 0.00 0.00 BCQ BCR C40H56 non-polymer 0.38 0.20 BCR BCS C10H13N1O2S1 L-peptide linking 0.00 0.00 BCS BCT C1H1O3 non-polymer 0.00 0.00 BCT BCU C10H12O2 non-polymer 0.00 0.00 BCU BCV C14H23N3O6S1 non-polymer 0.00 0.00 BCV BCW C26H45N1O19 non-polymer 1.00 1.00 BCW BCX C4H9N1O2S1 L-peptide linking 0.00 0.00 BCX BCY C9H15N3O2 non-polymer 0.00 0.00 BCY BCZ C15H28N4O4 non-polymer 1.00 0.57 BCZ BD0 C22Cl1F2H24N2O3 non-polymer 0.00 0.00 BD0 BD1 C7H10O3 non-polymer 0.00 0.00 BD1 BD2 C27H26N2O6 non-polymer 0.00 0.00 BD2 BD3 C23H28N8O3 non-polymer 0.38 0.06 BD3 BD4 C19H19N3O2 non-polymer 0.00 0.00 BD4 BD5 C35H35N3O8 non-polymer 0.35 0.57 BD5 BD6 C35H37N7O6 non-polymer 0.36 0.31 BD6 BD7 C33H36N6O7 non-polymer 0.36 0.33 BD7 BD8 C43H57N7O5 non-polymer 0.00 0.00 BD8 BD9 C40H55N9O5 non-polymer 0.00 0.00 BD9 BDA C62H66N2O20 non-polymer 1.00 0.24 BDA BDB B2C12H12O4 non-polymer 0.00 0.00 BDB BDC C44H54N8O2 non-polymer 0.45 0.28 BDC BDD Br1C12H25O1 non-polymer 0.00 0.00 BDD BDE Br2C13H9N3O3 non-polymer 0.25 0.24 BDE BDF C6H12O6 D-saccharide 1.00 1.00 BDF BDG C6H14N2O4 D-saccharide 1.00 1.00 BDG BDH C10H14N4O5 non-polymer 0.50 0.79 BDH BDI C9H12N4O2 non-polymer 0.00 0.00 BDI BDJ C12Cl1H14N3O1 non-polymer 0.00 0.00 BDJ BDK C23F2H30N6O5S1 non-polymer 0.00 0.00 BDK BDL C18H21N1O4S1 non-polymer 0.00 0.00 BDL BDM Br1C20H24N4O6 non-polymer 0.00 0.00 BDM BDN C7H8N2 non-polymer 0.00 0.00 BDN BDO C15Cl1H20N3O1 non-polymer 0.00 0.00 BDO BDP C6H10O7 D-saccharide 1.00 1.00 BDP BDQ C24H28N6O2 non-polymer 0.00 0.00 BDQ BDR C5H10O5 D-saccharide 1.00 1.00 BDR BDS C20H18O8 non-polymer 0.50 0.43 BDS BDT C19H30O2 non-polymer 0.00 0.00 BDT BDU C25H30N2O9 non-polymer 1.00 0.64 BDU BDV C21H33N5O2 non-polymer 0.00 0.00 BDV BDW C32H49N5O2 non-polymer 0.00 0.00 BDW BDX C19H33N3O1 non-polymer 0.00 0.00 BDX BDY C27Cl2H30N6O1 non-polymer 0.00 0.00 BDY BDZ C26H45N1O19 non-polymer 1.00 1.00 BDZ BE0 C5H12N2O2S1 non-polymer 0.00 0.00 BE0 BE1 Br1C4H9N1O5P1 non-polymer 0.61 0.58 BE1 BE2 C7H7N1O2 L-peptide linking 0.00 0.00 BE2 BE3 C38F2H38N2O8 non-polymer 1.00 0.44 BE3 BE4 C38F4H36N2O8 non-polymer 1.00 0.42 BE4 BE5 C38F4H36N2O8 non-polymer 1.00 0.42 BE5 BE6 C38F4H36N2O8 non-polymer 1.00 0.42 BE6 BE7 C7Cl1H5Hg1O2 non-polymer 0.00 0.00 BE7 BE8 B1C29H54N5O7S1 non-polymer 0.38 0.14 BE8 BE9 C11H15N3O4S1 non-polymer 0.00 0.00 BE9 BEA C9H8N3S1 non-polymer 0.00 0.00 BEA BEB C38H40N2O8 non-polymer 0.86 0.46 BEB BEC C35H43N3O8 non-polymer 0.86 0.65 BEC BED C38F2H38N2O8 non-polymer 1.00 0.44 BED BEE C40H50N4O8S2 non-polymer 0.86 0.70 BEE BEF Be1F3 non-polymer 0.00 0.00 BEF BEG C38H40N2O7 non-polymer 0.74 0.45 BEG BEH C36H38N2O7 non-polymer 0.86 0.49 BEH BEI C34H50N4O8 non-polymer 0.86 0.87 BEI BEJ C42H52N6O8 non-polymer 0.86 0.68 BEJ BEK C8F4H5N1O2 non-polymer 0.00 0.00 BEK BEL Br2C14H14N4O7 non-polymer 0.50 0.30 BEL BEM C6H10O7 D-saccharide 1.00 1.00 BEM BEN C7H8N2 non-polymer 0.00 0.00 BEN BEO C4H6O2 non-polymer 0.62 1.00 BEO BEP C24H34N2O1 non-polymer 0.56 0.33 BEP BEQ C19H38N2O3 non-polymer 0.64 0.25 BEQ BER C20H18N1O4 non-polymer 0.00 0.00 BER BES C16H24N2O4 non-polymer 0.50 0.41 BES BET C5H12N1O2 non-polymer 0.71 0.75 BET BEU C9H16N2O4 non-polymer 0.00 0.00 BEU BEV C3H7N3O2S2 non-polymer 0.00 0.00 BEV BEW C5H6N1O1S1 non-polymer 0.00 0.00 BEW BEX C15H19N3O5S1 non-polymer 0.00 0.00 BEX BEY C19H24N1O4P1 non-polymer 0.00 0.00 BEY BEZ C7H6O2 non-polymer 0.00 0.00 BEZ BF0 C25H32N2O6 non-polymer 1.00 0.70 BF0 BF2 Be1F2 non-polymer 0.00 0.00 BF2 BF3 C15Cl1F1H9N1O4 non-polymer 0.00 0.00 BF3 BF4 Be1F4 non-polymer 0.00 0.00 BF4 BF5 C17F1H20N4O4 non-polymer 0.00 0.00 BF5 BF6 C20H17N3O4 L-peptide linking 0.00 0.00 BF6 BF8 FE4NI1O1S4 non-polymer 0.00 0.00 BF8 BF9 C22H21N3O5 L-peptide linking 0.00 0.00 BF9 BFA Br1C17H17N4O1 non-polymer 0.45 0.30 BFA BFB C14H20N4O2 non-polymer 0.00 0.00 BFB BFC C14H28O2 non-polymer 0.00 0.00 BFC BFD Be1C4F3H6N1O4 L-peptide linking 0.84 0.69 BFD BFE C9H11N1O1S1 non-polymer 0.00 0.00 BFE BFF Br1C20F2H24N5O3S1 non-polymer 1.00 0.31 BFF BFG C17H19N1O1S1 non-polymer 0.00 0.00 BFG BFH C15H11N1O4 non-polymer 0.00 0.00 BFH BFI Br1C19F2H11N2O4 non-polymer 0.00 0.00 BFI BFK C24H30N6O3S1 non-polymer 0.00 0.00 BFK BFL C15H14O2 non-polymer 0.46 0.47 BFL BFM C4F6H2O3 non-polymer 0.50 0.54 BFM BFN C18F1H23N2O9 non-polymer 1.00 0.77 BFN BFO C35H43N3O8 non-polymer 0.53 0.76 BFO BFP C6H14O12P2 saccharide 1.00 0.60 BFP BFQ C9H23N1O7P2 non-polymer 0.00 0.00 BFQ BFR C6H15N5 non-polymer 0.00 0.00 BFR BFS Br1C15F1H13N1O2 non-polymer 0.31 0.40 BFS BFT C19H25N4O6P1S1 non-polymer 0.45 0.23 BFT BFU Br1C18F1H17N3O3 non-polymer 0.58 0.15 BFU BFV C36Cl1H40N5O3S1 non-polymer 0.00 0.04 BFV BFW C9H9N3O2 non-polymer 0.00 0.00 BFW BFX Br1C31Cl1F1H31N2O2 non-polymer 0.00 0.00 BFX BFZ Br1C21F1H23N3O1 non-polymer 0.00 0.00 BFZ BG0 Br1C18H17N4O3 non-polymer 0.00 0.00 BG0 BG1 C10H21N3O6S1 L-peptide linking 0.83 0.85 BG1 BG2 Br1C10H12N5O5 non-polymer 1.00 0.48 BG2 BG3 C6H11N1O5S1 non-polymer 0.00 0.00 BG3 BG4 C7H14N2O3 non-polymer 0.00 0.00 BG4 BG5 C6H12N2O3 non-polymer 0.00 0.00 BG5 BG6 C6H13O9P1 non-polymer 1.00 0.75 BG6 BG7 C31F3H43N6O2 non-polymer 0.41 0.17 BG7 BG8 C13H17N1O6 non-polymer 1.00 0.95 BG8 BGA C28H51N1O15 non-polymer 1.00 0.82 BGA BGB C26H48O15 non-polymer 1.00 0.80 BGB BGC C6H12O6 D-saccharide 1.00 1.00 BGC BGD C32F4H34N4O12P2 non-polymer 0.00 0.00 BGD BGE C19H21N5O1 non-polymer 0.00 0.00 BGE BGF C18H18N4O1 non-polymer 0.00 0.00 BGF BGG C8H8O3 non-polymer 0.00 0.00 BGG BGH C13H20N5O9P1 RNA linking 1.00 0.36 BGH BGJ C39Cl2H44N6O2S1 non-polymer 0.00 0.04 BGJ BGK C13H8N2O2S1 non-polymer 0.00 0.00 BGK BGL C14H28O6 saccharide 1.00 0.60 BGL BGM Br1C10H13N5O7P1 DNA linking 1.00 0.38 BGM BGN C10H19N1O6 non-polymer 1.00 1.00 BGN BGO C18H22N6O12P2 non-polymer 1.00 0.26 BGO BGP C6H13O9P1 D-saccharide 1.00 0.75 BGP BGQ C4H9O3 non-polymer 0.81 1.00 BGQ BGR B1C10H16N5O6P1 non-polymer 1.00 0.39 BGR BGS C8H16O7S1 D-saccharide 1.00 0.69 BGS BGT C9H18N2O3 non-polymer 0.56 0.71 BGT BGU C9H8N6O1 non-polymer 0.00 0.00 BGU BGV C17H20O5 non-polymer 0.00 0.00 BGV BGW C20H20N2O3S1 non-polymer 0.00 0.00 BGW BGX C6H9N1O2 non-polymer 0.00 0.00 BGX BGY C31Cl1H43I1N5O4 non-polymer 0.56 0.12 BGY BGZ C30H48O8 non-polymer 0.41 0.34 BGZ BH0 C32H30N4O6S1 non-polymer 0.00 0.00 BH0 BH1 C55H78N4O6 non-polymer 0.62 0.29 BH1 BH2 C4H7N1O5 L-peptide linking 0.75 1.00 BH2 BH3 C20H40N2O6P2 non-polymer 0.00 0.00 BH3 BH4 C9H15N5O3 non-polymer 0.64 0.47 BH4 BH5 C20H40N2O7P2 non-polymer 0.00 0.00 BH5 BH6 B1C8Cl1H9N1O3 non-polymer 0.00 0.00 BH6 BH7 C16H27N3O4S1 non-polymer 0.00 0.00 BH7 BH8 C15H30N2O6P2 non-polymer 0.00 0.00 BH8 BH9 C21H21N5O1 non-polymer 0.38 0.07 BH9 BHA C7H7N1O3 non-polymer 0.00 0.00 BHA BHB C13H19N5O1S1 non-polymer 0.20 0.15 BHB BHC C12H6O12 non-polymer 0.00 0.00 BHC BHD C4H7N1O5 L-peptide linking 0.75 1.00 BHD BHE C20H38O10 non-polymer 1.00 0.73 BHE BHF C19H12O2 non-polymer 0.00 0.00 BHF BHG C12H24O6 saccharide 1.00 0.67 BHG BHH C5H13N3O1 non-polymer 0.00 0.00 BHH BHI Br1C5H13O8P2 non-polymer 0.70 0.44 BHI BHJ C37Cl1H45N6O4S1 non-polymer 0.00 0.04 BHJ BHK C12H14O4 non-polymer 0.62 0.69 BHK BHL Br1C6H13O1 non-polymer 0.00 0.00 BHL BHM Br1C11F3H10N2O4 non-polymer 0.00 0.00 BHM BHN C20H24N2O6 non-polymer 0.64 0.43 BHN BHO C7H7N1O2 non-polymer 0.00 0.00 BHO BHP C31H37N1O4 non-polymer 0.00 0.00 BHP BHQ C14H22O2 non-polymer 0.38 0.38 BHQ BHR C20H24N2O7 non-polymer 0.64 0.41 BHR BHS C9H15N5O3 non-polymer 0.64 0.47 BHS BHT C37H30N3O9S3 non-polymer 0.00 0.00 BHT BHU B1C5H12N1O3S1 non-polymer 0.00 0.00 BHU BHV C38F3H53N6O5 non-polymer 0.56 0.23 BHV BHW C55H59N5O20 non-polymer 1.00 0.65 BHW BHX C9H15O8P1 non-polymer 0.00 0.00 BHX BHY C20H28N2O4S2 non-polymer 0.00 0.00 BHY BHZ C20H24N2O5 non-polymer 0.64 0.44 BHZ BI1 C25H24N4O2 non-polymer 0.20 0.10 BI1 BI2 C27H26N4O2 non-polymer 0.00 0.00 BI2 BI3 C23H20N4O2 non-polymer 0.00 0.00 BI3 BI4 C27H26N4O2 non-polymer 0.00 0.00 BI4 BI5 C19H16N2O2 non-polymer 0.00 0.00 BI5 BI6 C29H34N4O3 non-polymer 0.00 0.00 BI6 BI7 C22Cl1H28N4O3S1 non-polymer 0.20 0.10 BI7 BI8 C24H22N4O2 non-polymer 0.00 0.00 BI8 BI9 C23Cl1H25N6O3 non-polymer 0.50 0.12 BI9 BIA C20F3H20N3O5 non-polymer 0.00 0.00 BIA BIB C4H8N1O2 non-polymer 0.56 1.00 BIB BIC C15H19N3O2 non-polymer 0.00 0.00 BIC BID C40H68N2O8 non-polymer 0.58 0.32 BID BIE C13H9N1O5 non-polymer 0.00 0.00 BIE BIF C15H15N1O2 L-peptide linking 0.00 0.00 BIF BIG C16H25N5O1S1 non-polymer 0.00 0.00 BIG BIH C10H8O6S2 non-polymer 0.00 0.00 BIH BIJ C25Cl1H28N7O2 non-polymer 0.00 0.00 BIJ BIK C11H8O4 non-polymer 0.00 0.00 BIK BIL C7H15N1O2 L-peptide linking 0.00 0.00 BIL BIM C34H33N5O2 non-polymer 0.20 0.07 BIM BIN C20Cl1H21N1O6 non-polymer 1.00 0.79 BIN BIO C9H11N5O3 non-polymer 0.62 0.47 BIO BIP C10H11I1O2 non-polymer 0.00 0.00 BIP BIQ C33H36N6O9 non-polymer 0.00 0.00 BIQ BIR C21H27N2O5P1 non-polymer 0.64 0.21 BIR BIS C15F4H22N5O12P3 non-polymer 1.00 0.26 BIS BIT C18H16N2O2 non-polymer 0.00 0.00 BIT BIU Br1C6H12N1O2 L-peptide linking 0.54 0.90 BIU BIV C32H54O4 non-polymer 0.55 0.33 BIV BIW C27H30N2O6 non-polymer 0.00 0.00 BIW BIX C10H18N1O8P1 non-polymer 0.00 0.00 BIX BIY C8H11N1O4S1 non-polymer 0.00 0.00 BIY BIZ C43H38N8O5 non-polymer 0.00 0.00 BIZ BJ1 C10H20O10S2 non-polymer 1.00 0.82 BJ1 BJ2 C18H28N4O8 non-polymer 0.44 0.43 BJ2 BJ4 C16H14N2O2 non-polymer 0.00 0.00 BJ4 BJ5 C25Fe1H45N6O8 non-polymer 0.00 0.00 BJ5 BJ8 FE8S9 non-polymer 0.00 0.00 BJ8 BJA C26H36N8O4S1 non-polymer 0.00 0.00 BJA BJB C19Cl1H15N2O4S2 non-polymer 0.00 0.00 BJB BJC C35H51N3O3 non-polymer 0.42 0.17 BJC BJD C36Cl2H39N5O3S1 non-polymer 0.00 0.04 BJD BJE C9H10N2O5 non-polymer 1.00 0.62 BJE BJF C14H25N3O3 non-polymer 0.00 0.00 BJF BJG C28Cl1H30N7O1 non-polymer 0.00 0.00 BJG BJH B1C11H14N1O6 L-peptide linking 0.00 0.00 BJH BJI B1C11H14N1O5 non-polymer 0.00 0.00 BJI BJJ C36Cl2H43N5O3S1 non-polymer 0.00 0.00 BJJ BJK C8H12N1O2 non-polymer 0.00 0.00 BJK BJL C15H19N1O7 non-polymer 0.75 0.74 BJL BJM C18H27N3O2 non-polymer 0.00 0.00 BJM BJN C7H11N2 non-polymer 0.00 0.00 BJN BJO C16H15N3O6 L-peptide linking 0.56 0.24 BJO BJP B1C17H18N1O5 non-polymer 0.00 0.00 BJP BJQ C10H14N1O2 non-polymer 0.56 0.54 BJQ BJS C38Cl2H40N6O3 non-polymer 0.00 0.04 BJS BJV C37Cl1H42N5O4S1 non-polymer 0.00 0.04 BJV BJW C48H64N10O19P2S1 non-polymer 1.00 0.39 BJW BJX C27H36N2O4 non-polymer 0.00 0.00 BJX BJY C29F3H34N6O4S1 non-polymer 0.00 0.00 BJY BJZ C26Cl2H19N5O4 non-polymer 0.00 0.00 BJZ BK1 C19H19N5 non-polymer 0.36 0.17 BK1 BK2 C19H19N5 non-polymer 0.39 0.21 BK2 BK3 C22H24N6 non-polymer 0.00 0.00 BK3 BK4 C19H19N5O1 non-polymer 0.36 0.16 BK4 BK5 C20H21N5O1 non-polymer 0.36 0.15 BK5 BK6 C22H24N6O1 non-polymer 0.00 0.00 BK6 BK7 C23H26N6O1 non-polymer 0.00 0.00 BK7 BK8 C24H27N5O1 non-polymer 0.00 0.00 BK8 BK9 C10H10N2O1 non-polymer 0.00 0.00 BK9 BKA C7H12O3 non-polymer 0.00 0.00 BKA BKC C28H38O7 non-polymer 0.93 1.00 BKC BKD C20H22N4O1 non-polymer 0.00 0.00 BKD BKE C19H15N3O2 non-polymer 0.00 0.00 BKE BKH C20Cl2F3H16N3O4S1 non-polymer 1.00 0.33 BKH BKI Br1C18H12N3O1 non-polymer 0.00 0.00 BKI BKJ C26H28N6O2 non-polymer 0.00 0.00 BKJ BKK C20Cl1F3H17N3O4S1 non-polymer 1.00 0.34 BKK BKM C33H52O11 non-polymer 0.93 0.66 BKM BKN C8H14O3 non-polymer 0.65 0.64 BKN BKP C10H17N5O17P4 non-polymer 1.00 0.28 BKP BKQ C7H12O3 non-polymer 0.65 0.70 BKQ BKS C18Cl1H12N3O1 non-polymer 0.00 0.00 BKS BKV Br1C18H12N3O1 non-polymer 0.00 0.00 BKV BKW C21H18O5S1 non-polymer 0.00 0.00 BKW BKY C24H16O5 non-polymer 0.00 0.00 BKY BKZ C10H12O2 non-polymer 0.00 0.00 BKZ BL0 C5H10N4O2S2 non-polymer 0.20 0.23 BL0 BL1 C16Cl1H16N3O3S1 non-polymer 0.00 0.00 BL1 BL2 C11H21N1O4 L-peptide linking 0.58 0.88 BL2 BL3 C33H34N4O6 non-polymer 0.38 0.09 BL3 BL4 C18H16N2O2 non-polymer 0.00 0.00 BL4 BL5 C38H62N8O4 non-polymer 0.00 0.00 BL5 BL6 C18H16N2O2 non-polymer 0.00 0.00 BL6 BL7 C17H14N2O2 non-polymer 0.00 0.00 BL7 BL8 C33H36N4O6 non-polymer 0.38 0.05 BL8 BLA C33H34N4O6 non-polymer 0.38 0.09 BLA BLB C55H85N20O21S2 non-polymer 1.00 0.38 BLB BLD C28H48O6 non-polymer 0.60 0.35 BLD BLE B1C5H14N1O2 peptide-like 0.00 0.00 BLE BLF C31Cl2H29N5O2 non-polymer 0.00 0.00 BLF BLG C16H30N3O14S2 non-polymer 1.00 0.71 BLG BLI C22H32N6O5S1 non-polymer 0.00 0.00 BLI BLJ As1C5H12N1O4 non-polymer 0.00 0.00 BLJ BLK C21H34N7O10P1 non-polymer 1.00 0.56 BLK BLL C40H44N2O6 non-polymer 0.44 0.21 BLL BLM C55H85N17O21S3 non-polymer 1.00 0.39 BLM BLN C21H30N4O4 non-polymer 0.36 0.17 BLN BLO C17H25N7O6 non-polymer 1.00 0.57 BLO BLP C17H20N5O9P1 non-polymer 0.00 0.00 BLP BLQ C17H15N3O6 non-polymer 0.61 0.31 BLQ BLR C33H36N4O6 non-polymer 0.38 0.09 BLR BLS C17H26N8O5 non-polymer 1.00 0.57 BLS BLT C9H18O9S1Se1 non-polymer 1.00 0.80 BLT BLV C33H34N4O6 non-polymer 0.38 0.09 BLV BLY B1C5H16N2O2 peptide-like 0.00 0.00 BLY BLZ C22Cl1H20N3O4S1 non-polymer 1.00 0.32 BLZ BM0 C8H15N2 non-polymer 0.00 0.00 BM0 BM1 C17H15N1O1S1 non-polymer 0.00 0.00 BM1 BM2 C23H32N6O5S1 peptide-like 0.00 0.00 BM2 BM3 C8H15N1O6 D-saccharide 1.00 1.00 BM3 BM4 C37H58N2O2 non-polymer 0.00 0.00 BM4 BM5 C18H15N1O3S1 non-polymer 0.56 0.30 BM5 BM6 C24H27O4 non-polymer 0.00 0.00 BM6 BM7 C8H15N1O6 D-saccharide 1.00 1.00 BM7 BM9 C25H34N6O5S1 peptide-like 0.00 0.00 BM9 BMA C6H12O6 D-saccharide 1.00 1.00 BMA BMB C37H47N5O3 non-polymer 0.00 0.00 BMB BMC C12H10N2O4 non-polymer 0.00 0.00 BMC BMD C4H9N1O1 non-polymer 0.00 0.00 BMD BME C2H6O1S1 non-polymer 0.00 0.00 BME BMF C17H20N6O4S1 non-polymer 0.00 0.00 BMF BMG C15H20N4O4S1 non-polymer 0.50 0.38 BMG BMH C15H22N4O5S1 non-polymer 0.58 0.40 BMH BMI C22H19N7O1 non-polymer 0.00 0.00 BMI BMJ C15H30O2 non-polymer 0.00 0.00 BMJ BMK C16H15N1 non-polymer 0.00 0.00 BMK BML Br1C6H5O1 non-polymer 0.00 0.00 BML BMM Br1C1H3 non-polymer 0.00 0.00 BMM BMN C16H19O7P1 DNA linking 0.00 0.00 BMN BMO C32H31N5 non-polymer 0.00 0.00 BMO BMP C9H13N2O10P1 RNA linking 1.00 0.82 BMP BMQ C9H13N2O10P1 RNA linking 1.00 0.82 BMQ BMR C16H21O13P3 non-polymer 0.00 0.00 BMR BMS C29H26N2O3 non-polymer 0.00 0.00 BMS BMT C10H19N1O3 L-peptide linking 0.64 1.00 BMT BMU C15Cl1H19N4O1 non-polymer 0.38 0.10 BMU BMV C25H23N5O2S2 non-polymer 0.00 0.00 BMV BMW C23H22N6O2 non-polymer 0.00 0.00 BMW BMX C8H16N1O9P1 D-saccharide 1.00 0.79 BMX BMZ C14H13N4O1 non-polymer 0.00 0.00 BMZ BN1 C8H10N6O4 non-polymer 0.00 0.00 BN1 BN2 C21Cl3H21N2O5 non-polymer 0.00 0.00 BN2 BN3 C18Cl3H15N2O5 non-polymer 0.81 0.25 BN3 BN4 C20Cl2H20N2O5 non-polymer 0.81 0.24 BN4 BN5 C20Cl2H20N2O5 non-polymer 0.00 0.00 BN5 BN6 C35H52N6O9 non-polymer 0.56 0.76 BN6 BN7 C14H24N2O3S1 non-polymer 0.61 0.45 BN7 BNA C24H20O2 non-polymer 0.00 0.00 BNA BNB C36H41N7O3 non-polymer 0.00 0.00 BNB BNC C23H40O3 non-polymer 0.00 0.00 BNC BND C19H26N2O9 non-polymer 1.00 0.77 BND BNE C28H33N5O2 non-polymer 0.38 0.06 BNE BNF C8H9N1O1 non-polymer 0.00 0.00 BNF BNG C15H30O6 saccharide 1.00 0.57 BNG BNH C36H51N5O9 non-polymer 0.56 0.80 BNH BNI C16H20N4O4S1 non-polymer 0.00 0.00 BNI BNJ C14H16N2O3S2 non-polymer 0.00 0.00 BNJ BNK C14Cl1H15N2O3S2 non-polymer 0.00 0.00 BNK BNL C12H10 non-polymer 0.00 0.00 BNL BNM C18H21N3O4S2 non-polymer 0.00 0.00 BNM BNN C12H15N3O3 L-peptide linking 0.50 0.56 BNN BNO B1C5H14N1O2 peptide-like 0.00 0.00 BNO BNP C32H35N1O3 non-polymer 0.83 0.14 BNP BNQ C22H18N2O1S1 non-polymer 0.00 0.00 BNQ BNR C62H66N2O20 non-polymer 1.00 0.24 BNR BNS C6H6O3S1 non-polymer 0.00 0.00 BNS BNT Br2C10H10O2 non-polymer 0.00 0.00 BNT BNU Br1C16H18N3O3 non-polymer 0.00 0.00 BNU BNV C15H30O2 non-polymer 0.00 0.00 BNV BNW C20H32N3O22P3 non-polymer 1.00 0.62 BNW BNX C6H13O9P1 D-saccharide 1.00 0.75 BNX BNY C14H12N2O4 non-polymer 0.00 0.00 BNY BNZ C6H6 non-polymer 0.00 0.00 BNZ BO0 C7H12O4 non-polymer 1.00 1.00 BO0 BO1 C12H18N2O7S1 non-polymer 1.00 0.55 BO1 BO2 B1C19H25N4O4 non-polymer 0.00 0.00 BO2 BO3 B1H3O3 non-polymer 0.00 0.00 BO3 BO4 B1H4O4 non-polymer 0.00 0.00 BO4 BO5 C19Cl1H24N1O4 non-polymer 0.00 0.00 BO5 BO7 C9H10O4 non-polymer 0.00 0.00 BO7 BO8 B1C9H20N2O6 non-polymer 0.00 0.00 BO8 BO9 B1C26H41N4O10 non-polymer 0.61 0.34 BO9 BOA Br1C5H3N4O1 non-polymer 0.00 0.00 BOA BOB C19H35N3O8S1 non-polymer 0.00 0.00 BOB BOC C5H10O3 non-polymer 0.56 0.62 BOC BOD C19H22N8O1 non-polymer 1.00 0.32 BOD BOE C19H25N2O10P1 RNA linking 1.00 0.78 BOE BOG C14H28O6 saccharide 1.00 0.60 BOG BOH C14H15N3O3S1 non-polymer 0.62 0.14 BOH BOJ C17H24N6 non-polymer 1.00 0.48 BOJ BOL C13H10I1N1O1 non-polymer 0.00 0.00 BOL BOM C16H30O1 non-polymer 0.38 0.47 BOM BON B1C12H19N2O4S1 non-polymer 0.00 0.00 BON BOP Br1C7H7O1 non-polymer 0.00 0.00 BOP BOQ C12H19N1O3 non-polymer 0.75 0.56 BOQ BOR B1C5H15N4O2 peptide-like 0.00 0.00 BOR BOS C13H12N2O3S2 non-polymer 0.00 0.00 BOS BOT C7H5N1S1 non-polymer 0.00 0.00 BOT BOU C22H22N2O6S1 non-polymer 0.35 0.26 BOU BOW C8H19N1O3S1 non-polymer 0.00 0.00 BOW BOX C7H6O2 non-polymer 0.00 0.00 BOX BOY C8H11O4P1 non-polymer 0.00 0.00 BOY BOZ C17H18N8O1Zn1 non-polymer 0.00 0.00 BOZ BP C20H16O3 non-polymer 0.00 0.00 BP BP0 C8H12N6S3 non-polymer 0.00 0.00 BP0 BP1 Br1C5H3N4 non-polymer 0.00 0.00 BP1 BP2 C10H17O7P2 non-polymer 0.00 0.00 BP2 BP3 C12Cl1H9O2 non-polymer 0.00 0.00 BP3 BP4 C14H12O2 non-polymer 0.00 0.00 BP4 BP5 C13H13N3O2 L-peptide linking 0.00 0.00 BP5 BP6 C12Cl2H8O2 non-polymer 0.00 0.00 BP6 BP7 C12H10O2 non-polymer 0.00 0.00 BP7 BP8 C9H14N6S2 non-polymer 0.00 0.00 BP8 BP9 C8H12N6S2 non-polymer 0.00 0.00 BP9 BPA C20H16O3 non-polymer 0.00 0.00 BPA BPB C55H74N4O6 non-polymer 0.62 0.32 BPB BPC C20H16O3 non-polymer 0.00 0.00 BPC BPD C21F3H12N1O5 non-polymer 0.00 0.00 BPD BPE C6H16N2O1S1 L-peptide linking 0.00 0.00 BPE BPF C22H26N4O1 non-polymer 0.36 0.30 BPF BPG C15H17N5O2 non-polymer 0.00 0.00 BPG BPH C55H76N4O6 non-polymer 0.62 0.29 BPH BPI C18H16O3 non-polymer 0.00 0.00 BPI BPJ C18H16O3 non-polymer 0.00 0.00 BPJ BPK C18H17N1O3 non-polymer 0.00 0.00 BPK BPL C22H16N2O1 non-polymer 0.00 0.00 BPL BPM C13H14O8P2 non-polymer 0.00 0.00 BPM BPN C7H7N1O3 non-polymer 0.00 0.00 BPN BPO C28H28N4O3 non-polymer 0.00 0.00 BPO BPP C22H25N4O1 non-polymer 0.00 0.00 BPP BPQ C12H17N5O3 non-polymer 0.56 0.25 BPQ BPR B1C9H17N2O3 non-polymer 0.00 0.00 BPR BPS C12H10O2S1 non-polymer 0.00 0.00 BPS BPT C4Cl2H24N6Pt2 non-polymer 0.00 0.00 BPT BPU Br1C11H7N2O1 non-polymer 0.00 0.00 BPU BPV Br1C3H3O3 non-polymer 0.95 0.86 BPV BPW C9Cl1H12N1 non-polymer 0.00 0.00 BPW BPX C12H15N1O6 non-polymer 0.00 0.00 BPX BPY C12H10O2 non-polymer 0.00 0.00 BPY BPZ C18H20O2 non-polymer 0.00 0.00 BPZ BQ1 Br1C32H31N2O2 non-polymer 0.20 0.08 BQ1 BQ2 C11H13N1O2 non-polymer 0.00 0.00 BQ2 BQ4 C10H8O5 non-polymer 0.94 0.53 BQ4 BQ5 C13H15N3 non-polymer 0.00 0.00 BQ5 BQ7 C9F2H9N1O2 non-polymer 0.93 0.29 BQ7 BQ8 C15H17N5O4S1 non-polymer 0.62 0.12 BQ8 BQ9 C29H50O5 non-polymer 1.00 0.74 BQ9 BQA Br1C26F3H28N2O3 non-polymer 0.00 0.00 BQA BQB C13H8I1N3O5 non-polymer 0.00 0.00 BQB BQC C21H18N4O4S1 non-polymer 0.00 0.00 BQC BQD Br1C18H19N2O3 non-polymer 0.00 0.00 BQD BQE C23F2H30N6O2S1 non-polymer 0.62 0.09 BQE BQF C20H15N1O5 non-polymer 0.00 0.00 BQF BQH C10H14N4O2S1 non-polymer 0.62 0.18 BQH BQJ C34F3H49N6O2S1 non-polymer 0.20 0.07 BQJ BQK C16H18N4O4S1 non-polymer 0.62 0.12 BQK BQL C12H18N3O10P1 non-polymer 1.00 0.65 BQL BQM C21F6H18N2O2S1 non-polymer 0.29 0.16 BQM BQN C27F6H22N2O3S1 non-polymer 0.29 0.13 BQN BQO C13H20N3O10P1 non-polymer 1.00 0.67 BQO BQP C37F4H53N5O2S1 non-polymer 0.00 0.00 BQP BQQ C15H18N6O2S1 non-polymer 0.62 0.12 BQQ BQR C19H20N4O3 non-polymer 0.00 0.00 BQR BQS C37F3H54N5O1S1 non-polymer 0.00 0.00 BQS BQT C10H13N3O2S1 non-polymer 0.00 0.00 BQT BQV C13H13N1O3S3 non-polymer 0.50 0.25 BQV BQW C9H17N5O2S1 non-polymer 0.30 0.41 BQW BQY C13H18O7 non-polymer 1.00 0.60 BQY BQZ C12H22O11 non-polymer 1.00 1.00 BQZ BR Br1 non-polymer 0.00 0.00 BR BR0 C14H12N2O6 non-polymer 0.00 0.00 BR0 BR1 Br1C22H25N2O2 non-polymer 0.00 0.00 BR1 BR2 C20F2H15N5O4S1 non-polymer 0.00 0.00 BR2 BR3 C11H14O3P1 non-polymer 0.00 0.00 BR3 BR4 C25H33N1O3 non-polymer 0.00 0.00 BR4 BR5 C4H10O3P1 non-polymer 0.56 0.62 BR5 BR6 Br1C14H12N3 non-polymer 0.00 0.00 BR6 BR7 Br1C12H20N1 non-polymer 0.00 0.00 BR7 BR8 C4H4N2O3 non-polymer 1.00 1.00 BR8 BR9 Br1C5H6N3 non-polymer 0.00 0.00 BR9 BRA C35H43N7O2 non-polymer 0.20 0.07 BRA BRB Br1C7H7O1 non-polymer 0.00 0.00 BRB BRC Br1C12H23O2 non-polymer 0.00 0.00 BRC BRD C10H14N2O5 non-polymer 1.00 0.59 BRD BRE C23F1H16N1O2 non-polymer 0.00 0.00 BRE BRF C23F2H15N1O2 non-polymer 0.00 0.00 BRF BRG Br1C5H4N5O1 non-polymer 0.00 0.00 BRG BRH Br1C6H7N2O4 non-polymer 0.00 0.00 BRH BRI C7H14O4 saccharide 1.00 0.91 BRI BRJ Br1C2H5O1 non-polymer 0.00 0.00 BRJ BRK C18H17N3O3S1 non-polymer 1.00 0.40 BRK BRL C18H19N3O3S1 non-polymer 0.50 0.20 BRL BRM Br1C2H3O2 non-polymer 0.00 0.00 BRM BRN C14H15N7 non-polymer 0.00 0.00 BRN BRO Br1 non-polymer 0.00 0.00 BRO BRP Br1C3H5O1 non-polymer 0.62 0.80 BRP BRQ C16Cl1F1H12N3O1S1 non-polymer 1.00 0.43 BRQ BRR C8H15N1O4 non-polymer 0.58 0.77 BRR BRS C14Cl1H11N2O5 non-polymer 0.00 0.00 BRS BRT Br1C6H5N2O1 non-polymer 0.00 0.00 BRT BRU Br1C9H12N2O8P1 DNA linking 1.00 0.43 BRU BRV Br3C8H4N1O4 non-polymer 0.00 0.00 BRV BRW Br1C16H10N3O2 non-polymer 0.00 0.00 BRW BRX Br2C11H12N2O5 non-polymer 0.00 0.00 BRX BRY Br1C16H9N2O2 non-polymer 0.00 0.00 BRY BRZ C19H22O4 non-polymer 0.70 0.57 BRZ BS1 C24H30N1O1 non-polymer 0.00 0.00 BS1 BS2 C29H32N1O1 non-polymer 0.00 0.00 BS2 BS3 Bi1 non-polymer 0.00 0.00 BS3 BS4 C13H12N2O3S1 non-polymer 0.00 0.00 BS4 BS5 C20H29N9O7S2 non-polymer 1.00 0.26 BS5 BS7 C15H17N1O6 non-polymer 1.00 0.55 BS7 BS8 C11F1H8N5 non-polymer 0.00 0.00 BS8 BSA C9H11N1O4S1 non-polymer 0.00 0.00 BSA BSB C14H14N2O3S1 non-polymer 0.00 0.00 BSB BSC C8H18N2O3S1 non-polymer 0.00 0.00 BSC BSD C36H42N4O6S1 non-polymer 0.31 0.17 BSD BSE C4H9N1O3 L-peptide linking 0.72 1.00 BSE BSF B1C8H12N1O4S1 non-polymer 0.00 0.00 BSF BSG B1C9H12N1O6S1 non-polymer 0.00 0.00 BSG BSH B1C16H18N1O6S1 non-polymer 0.00 0.00 BSH BSI C22H19N1O4S1 non-polymer 0.00 0.00 BSI BSJ C36H62N11O23P3S1 non-polymer 1.00 0.61 BSJ BSM C19Cl1H18N3O4 non-polymer 0.50 0.19 BSM BSO C10H16N2O4S1 non-polymer 0.00 0.00 BSO BSP Br4C20H8O10S2 non-polymer 0.00 0.00 BSP BST C17H28N8O6 non-polymer 1.00 0.55 BST BSU C13H12N2O1 non-polymer 0.00 0.00 BSU BSV C14H14O4 non-polymer 0.94 0.44 BSV BSW C12F1H8N3 non-polymer 0.00 0.00 BSW BSX C8F1H10N1 non-polymer 0.00 0.00 BSX BSY H1O3Se1 non-polymer 0.00 0.00 BSY BSZ C7Cl1H7O4S1 non-polymer 0.00 0.00 BSZ BT1 C32H35N3O3S1 non-polymer 0.00 0.00 BT1 BT2 C33H38N2O2S1 non-polymer 0.00 0.00 BT2 BT3 C32H37N3O3S1 non-polymer 0.00 0.00 BT3 BT5 C20H28N7O9P1S1 RNA linking 1.00 0.42 BT5 BT6 C6H6S1 non-polymer 0.00 0.00 BT6 BT7 C10F2H16N2O1 non-polymer 0.00 0.00 BT7 BT8 C21H26N4O3 non-polymer 0.00 0.00 BT8 BT9 C14F3H10N1O2 non-polymer 0.00 0.00 BT9 BTA C5H11N1O2 L-peptide linking 0.00 0.00 BTA BTB C8H19N1O5 non-polymer 0.72 1.00 BTB BTC C3H7N1O2S1 L-peptide linking 0.00 0.00 BTC BTD Br1C13H13N2O5S1 non-polymer 1.00 0.41 BTD BTE C6H5N3S1 non-polymer 0.00 0.00 BTE BTF C26Fe1H27N9O2S1 non-polymer 0.00 0.00 BTF BTG C21H23N1O8 non-polymer 1.00 0.50 BTG BTH C30H31N5O5S1 non-polymer 0.59 0.22 BTH BTI C10H16N2O2S1 non-polymer 0.00 0.00 BTI BTJ C54H67N7O11 non-polymer 0.67 0.25 BTJ BTK C10H20N2O3 L-peptide linking 0.00 0.00 BTK BTL C5H12N1O1 non-polymer 0.57 0.71 BTL BTM C13H22N1 non-polymer 0.00 0.00 BTM BTN C10H16N2O3S1 non-polymer 0.00 0.00 BTN BTO C12H11N3O5 non-polymer 0.00 0.00 BTO BTP C10H12O2S1 non-polymer 0.00 0.00 BTP BTQ C10H16N2O3S1 non-polymer 0.00 0.00 BTQ BTR Br1C11H11N2O2 L-peptide linking 0.00 0.00 BTR BTS C10H11N1O3S3 non-polymer 0.00 0.00 BTS BTT C6H6O4 non-polymer 0.00 0.00 BTT BTU C12H22O11 non-polymer 1.00 1.00 BTU BTV C20H25N5O3S1 non-polymer 0.00 0.00 BTV BTW C11H14O2S1 non-polymer 0.00 0.00 BTW BTX C20H30N7O8P1S1 non-polymer 1.00 0.41 BTX BTY C6H7N5O1 non-polymer 0.00 0.00 BTY BTZ C12H16N6O1S2 non-polymer 0.00 0.00 BTZ BU1 C4H10O2 non-polymer 0.62 1.00 BU1 BU2 C4H10O2 non-polymer 0.62 1.00 BU2 BU3 C4H10O2 non-polymer 0.62 1.00 BU3 BU4 C4H10O2 non-polymer 0.62 1.00 BU4 BU5 C11H9N3O1S1 non-polymer 0.00 0.00 BU5 BU6 C14Cl1F1H16N4O2S1 non-polymer 0.00 0.00 BU6 BU7 C14H15N1O2S2 non-polymer 0.00 0.00 BU7 BU8 C6H6N4 non-polymer 0.00 0.00 BU8 BU9 C4H10O2 non-polymer 0.62 1.00 BU9 BUA C4H8O2 non-polymer 0.00 0.00 BUA BUB B1C4H11O2 non-polymer 0.00 0.00 BUB BUC C7H15N1O2S2 L-peptide linking 0.00 0.00 BUC BUD C4H10O2 non-polymer 0.62 1.00 BUD BUE C20H36O7P2 non-polymer 0.62 0.72 BUE BUF C24H34O4 non-polymer 0.00 0.00 BUF BUG C6H13N1O2 L-peptide linking 0.58 1.00 BUG BUH C19Cl1F7H15N5O2 non-polymer 0.00 0.00 BUH BUI C22H45N3O3 non-polymer 0.50 0.32 BUI BUJ C23H46N2O3 non-polymer 0.50 0.32 BUJ BUK Br1C27H42N9O5S1 non-polymer 0.00 0.00 BUK BUL C16H29N3O14S2 non-polymer 1.00 0.71 BUL BUM C7H16N2O1 non-polymer 0.38 0.80 BUM BUN C15H12O5 non-polymer 0.33 0.20 BUN BUO C4H6O2 non-polymer 0.62 1.00 BUO BUP Br1C9H14N2O15P3 non-polymer 1.00 0.33 BUP BUQ C4H8O2 non-polymer 0.75 1.00 BUQ BUR C23F3H22N3O3 non-polymer 0.38 0.06 BUR BUT C4H10 non-polymer 0.00 0.00 BUT BUU C16H16N2O6 non-polymer 0.00 0.00 BUU BUV C28Cl1H23N6O4 non-polymer 0.29 0.13 BUV BUW C19H24N2S1 non-polymer 0.00 0.00 BUW BUY C27Cl1H21N6O4 non-polymer 0.29 0.13 BUY BV1 C50H72N10O20 non-polymer 1.00 0.30 BV1 BV2 C51H79N11O22 non-polymer 1.00 0.36 BV2 BV3 C63H91N15O26 non-polymer 1.00 0.29 BV3 BV4 C79H123N15O32 non-polymer 1.00 0.49 BV4 BV5 C15F3H19N2O4S1 non-polymer 0.00 0.00 BV5 BV7 C8H15N1O2 non-polymer 0.00 0.00 BV7 BV8 C47H63N11O19P2S1 non-polymer 1.00 0.41 BV8 BVA C7H9N1O5V1 non-polymer 0.00 0.00 BVA BVB Br1C14H11O2 non-polymer 0.25 0.12 BVB BVC C5H7N1S1 non-polymer 0.00 0.00 BVC BVD Br1C11H13N2O5 non-polymer 1.00 0.47 BVD BVE C31H27N2O2S1 non-polymer 0.00 0.00 BVE BVF C6H8N2 non-polymer 0.00 0.00 BVF BVG C4H6N2O1 non-polymer 0.00 0.00 BVG BVH C8H14O2 non-polymer 0.40 0.50 BVH BVJ C28Cl1F1H23N7O4 non-polymer 0.29 0.12 BVJ BVK C9H11N1O2 non-polymer 0.00 0.00 BVK BVL C21H22O4 non-polymer 0.38 0.08 BVL BVM C36Cl1H34N7O7 non-polymer 0.58 0.16 BVM BVN C22H28N3O5 non-polymer 0.59 0.33 BVN BVP Br1C11H14N2O8P1 DNA linking 1.00 0.39 BVP BVQ C57Co1H82N16O14P1 non-polymer 1.00 0.11 BVQ BVR B1C27H36N2O9S1 non-polymer 0.00 0.00 BVR BVS C11H10O4 non-polymer 0.56 0.73 BVS BVT C47H63N11O19P2S1 non-polymer 1.00 0.38 BVT BVV C21H21N7O1 non-polymer 0.00 0.00 BVV BVY C19F1H24N5O1S1 non-polymer 0.00 0.00 BVY BVZ B1C21H25N3O5S1 non-polymer 0.00 0.00 BVZ BW1 C23H22N4O1 non-polymer 0.00 0.00 BW1 BW2 C20H19N5O8S1 non-polymer 0.68 0.35 BW2 BW4 C29Cl1H37N6O5 non-polymer 0.61 0.17 BW4 BW5 C13H21N1O2 L-peptide linking 0.00 0.00 BW5 BW7 C22H29N5O3 non-polymer 0.36 0.13 BW7 BW8 C22F2H18N4O5S1 non-polymer 0.50 0.12 BW8 BWA C22H18N4O3 non-polymer 0.00 0.00 BWA BWB C8H15N1O7 L-peptide linking 1.00 1.00 BWB BWD Br1C7H8N3O4 non-polymer 0.00 0.00 BWD BWE C24F1H22N3O5S2 non-polymer 0.00 0.00 BWE BWG C11H16N2O6S1 non-polymer 1.00 0.75 BWG BWH C44H38N6O12 non-polymer 0.38 0.08 BWH BWJ C7Cl2H9N1O6P2 non-polymer 0.00 0.00 BWJ BWK C4H10N6O1 non-polymer 0.00 0.00 BWK BWM C13H16N4O1 non-polymer 0.00 0.00 BWM BWP Br1C21H24N5O2 non-polymer 0.61 0.24 BWP BWQ C30H41N3O5 non-polymer 0.61 0.24 BWQ BWR C20H23N5O2S1 non-polymer 0.00 0.00 BWR BWS C10H17N3O6 non-polymer 0.54 0.53 BWS BWT C8H9N6O1 non-polymer 0.00 0.00 BWT BWV C10H22N4O2 L-peptide linking 0.43 0.62 BWV BWW C19F1H14N1O6S1 non-polymer 0.00 0.00 BWW BWY C25H34N6O2S1 non-polymer 0.39 0.26 BWY BWZ C8H9N6O1 non-polymer 0.00 0.00 BWZ BX1 C19H24N4O5 non-polymer 0.00 0.00 BX1 BX2 C23H24N6O1 non-polymer 0.00 0.00 BX2 BX3 C27H30N4O3 non-polymer 0.00 0.00 BX3 BX4 C12H12N2O2S1 non-polymer 0.00 0.00 BX4 BX5 C5H11N6O1 non-polymer 0.00 0.00 BX5 BX6 B1C12H18N1O3S1 non-polymer 0.00 0.00 BX6 BX7 C23H26I1N7O2S1 non-polymer 0.00 0.00 BX7 BX9 B1C11F1H15N1O3S1 non-polymer 0.00 0.00 BX9 BXA Br1C2H3O2 non-polymer 0.00 0.00 BXA BXB C15Cl2H11N1O3 non-polymer 0.00 0.00 BXB BXC C25H50O5 non-polymer 1.00 0.33 BXC BXD C28F4H38N2O5S1 non-polymer 0.60 0.28 BXD BXE C4H9N6O1 non-polymer 0.00 0.00 BXE BXF C5F1H9O4 saccharide 1.00 0.90 BXF BXG C17Cl1H12N3O4 non-polymer 0.00 0.00 BXG BXH C5H8N4O2 non-polymer 0.55 0.64 BXH BXJ C34H37N7O4 non-polymer 0.00 0.00 BXJ BXK C12H19N1O8 non-polymer 0.97 0.90 BXK BXL C20H23N3O2 non-polymer 0.33 0.24 BXL BXM C34H37N5O4 non-polymer 0.38 0.05 BXM BXN C23Cl2H33N5O2S1 non-polymer 0.00 0.00 BXN BXO C4H9N1O1 non-polymer 0.00 0.00 BXO BXP C10H18O9 D-saccharide 1.00 1.00 BXP BXQ C26F4H34N2O4S1 non-polymer 0.38 0.05 BXQ BXR C9Cl1H10N5 non-polymer 0.00 0.00 BXR BXS C12H10O6 non-polymer 0.94 0.44 BXS BXT C7H14N2O4 L-peptide linking 0.83 1.00 BXT BXU B1C11F1H15N1O3S1 non-polymer 0.00 0.00 BXU BXV C21F3H21N2O5 non-polymer 0.00 0.00 BXV BXW C9H7N1O3S1 non-polymer 0.00 0.00 BXW BXX C5H10O5 D-saccharide 1.00 1.00 BXX BXY C5H10O5 D-saccharide 1.00 1.00 BXY BXZ Br1C13H8N1O4 non-polymer 0.00 0.00 BXZ BY0 B1C14H18N1O4S1 non-polymer 0.00 0.00 BY0 BY1 C10H9N1O2S1 non-polymer 0.17 0.21 BY1 BY2 C14H22N2O3 non-polymer 0.31 0.37 BY2 BY4 C9H10N2O1 non-polymer 0.00 0.00 BY4 BY5 C9F3H5O2S1 non-polymer 0.93 0.27 BY5 BY6 C60H96N20O21S2 non-polymer 1.00 0.36 BY6 BY7 C20F3H26N3 non-polymer 0.20 0.12 BY7 BY8 C23H21N1O3S1 non-polymer 0.00 0.00 BY8 BYA C10H11N1O3 non-polymer 0.61 0.57 BYA BYB C19F2H18N6O2 non-polymer 0.00 0.00 BYB BYC C28H40N7O17P3S1 non-polymer 1.00 0.41 BYC BYD C8H8N2O4 non-polymer 0.00 0.00 BYD BYE C15Cl1F3H12N4O1 non-polymer 0.00 0.00 BYE BYG C22H32N6O10S2 non-polymer 0.00 0.00 BYG BYH C17H16N4S2 non-polymer 0.00 0.00 BYH BYJ C18H25N3 non-polymer 0.00 0.00 BYJ BYK C21H21N2O3S1 non-polymer 0.20 0.11 BYK BYM C11F2H5N1O4S1 non-polymer 0.00 0.00 BYM BYN C22H31N4O10P1 non-polymer 1.00 0.27 BYN BYO C22H25N1O2 non-polymer 0.00 0.00 BYO BYP Br1C21H24N5O2 non-polymer 0.61 0.24 BYP BYR Br1C9H10N1O3 L-peptide linking 0.00 0.00 BYR BYS C19H18O6 non-polymer 0.50 0.48 BYS BYT C16H28N4O4S1 non-polymer 0.00 0.00 BYT BYV C19H24N4 non-polymer 0.00 0.00 BYV BYX C10H12N2O4 non-polymer 0.00 0.00 BYX BYY C10H16N2O3Se1 non-polymer 0.00 0.00 BYY BYZ Br1C3H3N2 non-polymer 0.00 0.00 BYZ BZ0 C18H16N4O3 non-polymer 1.00 0.40 BZ0 BZ1 C12H21N3O5S3 non-polymer 0.56 0.22 BZ1 BZ2 C9H6O3 non-polymer 0.00 0.00 BZ2 BZ3 C9H9N1O1 non-polymer 0.00 0.00 BZ3 BZ4 C31Cl1H25N6O10 non-polymer 0.00 0.00 BZ4 BZ5 C16H16O6S1 non-polymer 0.00 0.00 BZ5 BZ6 C20H18N4O1 non-polymer 0.00 0.00 BZ6 BZ7 C32H38N4O4 non-polymer 0.39 0.12 BZ7 BZ8 C16Cl1H13N2O3S1 non-polymer 0.00 0.00 BZ8 BZ9 C28H23N7O1 non-polymer 0.00 0.00 BZ9 BZA C18H16O3 non-polymer 0.00 0.00 BZA BZB B1C8H7O2S1 non-polymer 0.00 0.00 BZB BZC C15H13N3O2 non-polymer 0.00 0.00 BZC BZD C14H18N2O7 non-polymer 1.00 0.65 BZD BZE C9H9N5 non-polymer 0.00 0.00 BZE BZF C8H6O1 non-polymer 0.00 0.00 BZF BZG C17H20N5O7P1 DNA linking 1.00 0.30 BZG BZH C12H14N4O3 non-polymer 0.00 0.00 BZH BZI C7H6N2 non-polymer 0.00 0.00 BZI BZJ C11H8O3 non-polymer 0.00 0.00 BZJ BZK C11H21N1O4 L-peptide linking 0.00 0.00 BZK BZM C14H12O2 non-polymer 0.40 0.44 BZM BZN C23H32N2O3S1 non-polymer 0.38 0.31 BZN BZO C8H8O2 non-polymer 0.00 0.00 BZO BZP C5H10N2O2 non-polymer 0.00 0.00 BZP BZQ C13H10O1 non-polymer 0.00 0.00 BZQ BZR C18H16O3 non-polymer 0.00 0.00 BZR BZS C11H12O4 non-polymer 0.62 0.67 BZS BZT Br1C32H35N2O2S1 non-polymer 0.00 0.00 BZT BZU C12H21N3O5S3 non-polymer 0.50 0.26 BZU BZW C20H23N3O4S1 non-polymer 0.00 0.00 BZW BZX C7H6O3 non-polymer 0.00 0.00 BZX BZY C21H27N5O3 non-polymer 0.00 0.00 BZY BZZ C7H10N2 non-polymer 0.00 0.00 BZZ C C9H14N3O8P1 RNA linking 1.00 0.48 C C00 C21H15N1O3 non-polymer 0.00 0.00 C00 C01 C25H30N1O5 non-polymer 0.00 0.00 C01 C02 C22H21N5O2S1 non-polymer 0.00 0.00 C02 C03 C28Cl1F3H22N2O6 non-polymer 0.98 0.15 C03 C04 C16H15N5O7S2 non-polymer 0.81 0.40 C04 C05 C14H19N5O2S1 non-polymer 0.00 0.00 C05 C06 C16H25N5O15P2 non-polymer 1.00 0.55 C06 C07 C18H18N4O2 non-polymer 0.00 0.00 C07 C08 B1C22F2H31N2O2 non-polymer 0.00 0.00 C08 C09 C13H14N4O1 non-polymer 0.45 0.39 C09 C0A Br1C12F2H16N2O6P1S1 non-polymer 0.39 0.40 C0A C0D C14H28N2O3 non-polymer 0.58 0.47 C0D C0E C12F2H8O4 non-polymer 0.93 0.56 C0E C0F C12H14N4O3S1 non-polymer 0.00 0.00 C0F C0G C17H24N2O5 non-polymer 0.58 0.38 C0G C0H C9Cl1H8N5 non-polymer 0.00 0.00 C0H C0J C14F1H12N3 non-polymer 0.00 0.00 C0J C0K C11F2H14N1O5P1 non-polymer 0.50 0.30 C0K C0L C30H41N1O7 non-polymer 1.00 0.95 C0L C0M C27H28N4O2S1 non-polymer 0.00 0.00 C0M C0P C16Cl3H17N4O2 non-polymer 0.00 0.00 C0P C0Q C21Cl1H25N6O3 non-polymer 0.00 0.00 C0Q C0R C21H30O4 non-polymer 0.50 0.28 C0R C0S C15F6H11N3O3 non-polymer 0.25 0.15 C0S C0T C24H28N2O9S3 non-polymer 1.00 0.29 C0T C0V C14H10O4 non-polymer 0.94 0.44 C0V C0W C11H8O2S2 non-polymer 0.93 0.27 C0W C0X C20H35O7P1 non-polymer 0.97 0.96 C0X C0Y C15H21N1O3 non-polymer 0.38 0.11 C0Y C0Z C25Cl1H26N3O3S1 non-polymer 0.20 0.09 C0Z C10 C22H46O7 non-polymer 0.88 0.76 C10 C11 C15H33O2P1 non-polymer 0.00 0.00 C11 C12 C15H18N3O4 L-peptide linking 0.00 0.00 C12 C13 C17Cl2H19N3O1 non-polymer 0.00 0.00 C13 C14 C14H30 non-polymer 0.00 0.00 C14 C15 C17H38N1O3S1 non-polymer 0.20 0.14 C15 C16 C16H10N2O2 non-polymer 0.00 0.00 C16 C17 C17Cl1H11O4 non-polymer 0.00 0.00 C17 C18 C18Cl1H16N1O3 non-polymer 0.00 0.00 C18 C19 C24H23N5O1 non-polymer 0.00 0.00 C19 C1A C14H22N8S2 non-polymer 0.00 0.00 C1A C1B C26H24N6O7 non-polymer 0.54 0.28 C1B C1C C22H14O4 non-polymer 0.00 0.00 C1C C1D C20Cl1F2H30N7O1 non-polymer 0.00 0.00 C1D C1E C12Cl1H9O4 non-polymer 0.93 0.59 C1E C1F C12H16O5 non-polymer 0.00 0.00 C1F C1G C18H29N5O3S1 non-polymer 0.00 0.00 C1G C1H C13H15N5O9S3 non-polymer 0.75 0.27 C1H C1I C30H36N2O3 non-polymer 0.20 0.09 C1I C1J C14H30N4O2 non-polymer 0.43 0.50 C1J C1K C12H23N1O4 non-polymer 1.00 0.65 C1K C1L C18H22N4O2 non-polymer 0.00 0.00 C1L C1M C7Cl1H5N4 non-polymer 0.00 0.00 C1M C1N C30F1H40N3O6 non-polymer 0.00 0.00 C1N C1O CU1O1 non-polymer 0.00 0.00 C1O C1P C28H39N3O5S1 non-polymer 0.00 0.00 C1P C1Q C40H71N1O9 non-polymer 1.00 0.42 C1Q C1R C9H17N1O1 non-polymer 0.00 0.00 C1R C1S C6H11N1O2S2 non-polymer 0.42 0.27 C1S C1T C10H13N1O6S1 L-peptide linking 0.00 0.00 C1T C1V C20H12N2O3S1 non-polymer 0.00 0.00 C1V C1W C17Cl2F1H11N4O2 non-polymer 0.00 0.00 C1W C1X C16H26N2O6S1 L-peptide linking 0.00 0.00 C1X C1Y C14H21N5O1 non-polymer 0.00 0.00 C1Y C1Z C10H18N5O20P5 non-polymer 1.00 0.25 C1Z C20 C31H51N5O5 non-polymer 0.00 0.00 C20 C21 C5H4O2S1 non-polymer 0.00 0.00 C21 C22 C3Cl1H6N1O2 L-peptide linking 0.00 0.00 C22 C23 C23H25N1O3 non-polymer 0.00 0.00 C23 C24 C27H29N7O3 non-polymer 0.65 0.27 C24 C25 C9H14N3O8P1 RNA linking 1.00 0.48 C25 C26 C8H18O4S1 non-polymer 0.00 0.00 C26 C27 C21H25N3O2 non-polymer 0.00 0.00 C27 C28 C19F4H26N4O4S1 non-polymer 0.00 0.00 C28 C29 C10H11N1O3 non-polymer 0.00 0.00 C29 C2A C7Cl1H8N1 non-polymer 0.00 0.00 C2A C2B C7Cl1H8N1 non-polymer 0.00 0.00 C2B C2C Cl1Cu2 non-polymer 0.00 0.00 C2C C2D C22Cl2H31N5O1S1 non-polymer 0.00 0.00 C2D C2E C20H24N10O14P2 non-polymer 1.00 0.43 C2E C2F C20H25N7O6 non-polymer 0.68 0.36 C2F C2G C12H21N3O13P2 non-polymer 1.00 0.63 C2G C2H C2H2 non-polymer 0.00 0.00 C2H C2J C17H15N3O2 non-polymer 0.00 0.00 C2J C2K C25Cl1F3H27N3O4 non-polymer 0.00 0.00 C2K C2L C13H22N3O9P1 RNA linking 1.00 0.54 C2L C2M C11Cl2H10N4 non-polymer 0.00 0.00 C2M C2N C3Cl1H6N1O2 D-peptide linking 0.00 0.00 C2N C2O CU2O1 non-polymer 0.00 0.00 C2O C2P C9H14N3O8P1 non-polymer 1.00 0.48 C2P C2Q C22H23N2O3S1 non-polymer 0.20 0.11 C2Q C2R C9H14N3O9P1 non-polymer 1.00 0.45 C2R C2S C9H14N3O5P1S2 DNA linking 1.00 0.45 C2S C2T C7H17N2O2 non-polymer 0.60 1.00 C2T C2U C7Cl2H4O3 non-polymer 0.00 0.00 C2U C2V C21H21N5O1S1 non-polymer 0.45 0.25 C2V C2W C25Cl1H26N3O5 non-polymer 0.00 0.00 C2W C2X C51H72N21O29P5 non-polymer 1.00 0.28 C2X C2Y C10H9N1O2 non-polymer 0.97 0.31 C2Y C2Z C7H6N1O6P1 non-polymer 0.00 0.00 C2Z C30 C38H65N1O12P2 non-polymer 1.00 0.87 C30 C31 C12H21N4O8P1 RNA linking 1.00 0.40 C31 C32 Br1C9H13N3O7P1 DNA linking 1.00 0.43 C32 C33 C30H50O3 non-polymer 0.55 0.18 C33 C34 C10H16N3O7P1 DNA linking 1.00 0.43 C34 C35 C37Cl1F1H51N11O5 non-polymer 0.00 0.00 C35 C36 C10F1H17N3O8P1 DNA linking 1.00 0.78 C36 C37 C9F1H13N3O7P1 DNA linking 1.00 0.76 C37 C38 C9H13I1N3O7P1 DNA linking 1.00 0.43 C38 C39 C27H47N3O5 non-polymer 0.83 0.14 C39 C3A C31H35N5O5 non-polymer 0.62 0.29 C3A C3B C10H15N3O6 non-polymer 1.00 0.63 C3B C3D C28H31N1O2 non-polymer 0.00 0.00 C3D C3E C24Cl1H22N3O4 non-polymer 0.00 0.00 C3E C3F C16H17N5O4 non-polymer 0.00 0.00 C3F C3G C12H13N1O9 non-polymer 1.00 0.59 C3G C3H C12H24N2O4S1 non-polymer 0.58 0.21 C3H C3J C24F2H23N5O1 non-polymer 0.50 0.12 C3J C3K C25H35N5O4 non-polymer 0.45 0.21 C3K C3M C20H22N2O3S1 non-polymer 0.00 0.00 C3M C3O C30H50O4 non-polymer 0.58 0.29 C3O C3P C9H14N3O8P1 non-polymer 1.00 0.48 C3P C3Q C33H49N3O3S1 non-polymer 0.20 0.07 C3Q C3R C25H40O8 non-polymer 0.61 0.61 C3R C3S C27H46O4S1 non-polymer 0.00 0.00 C3S C3T C27H42N4O4 non-polymer 0.38 0.06 C3T C3V C22F2H20N4O1S1 non-polymer 0.00 0.00 C3V C3W C12F1H12N1O4 non-polymer 0.64 0.56 C3W C3X C8H14O6 D-saccharide 1.00 0.71 C3X C3Y C5H12N2O4S1 L-peptide linking 0.00 0.00 C3Y C3Z C23H18N4O1 non-polymer 0.00 0.00 C3Z C40 C25H43N3O5 non-polymer 0.83 0.15 C40 C41 C30H53N3O6 non-polymer 0.83 0.21 C41 C42 C9H15N4O6P1 DNA linking 1.00 0.45 C42 C43 C12H20N3O9P1 RNA linking 1.00 0.56 C43 C44 C33H42N4O4S1 non-polymer 0.00 0.00 C44 C45 C10H16N3O8P1 DNA linking 1.00 0.41 C45 C46 C11H16N3O8P1 DNA linking 1.00 0.39 C46 C47 C27H43N3O5 non-polymer 0.60 0.29 C47 C48 C22H26N4O4 non-polymer 0.36 0.50 C48 C49 C10F1H15N3O7P1S1 DNA linking 1.00 0.74 C49 C4A C28H33N5O5 non-polymer 0.53 0.29 C4A C4B C9H13N3O8 non-polymer 1.00 1.00 C4B C4C C16Cl1H20N3 non-polymer 0.20 0.15 C4C C4D C30H42 non-polymer 0.38 0.57 C4D C4E C13H11N3 non-polymer 0.00 0.00 C4E C4F C15H14N2O1 non-polymer 0.00 0.00 C4F C4G C9H21N5O2 non-polymer 0.43 0.62 C4G C4H C19H27N3O3S2 non-polymer 0.20 0.11 C4H C4J C14H22N3O11P1 RNA linking 1.00 0.59 C4J C4K C24H21N3O4 non-polymer 0.50 0.13 C4K C4L C8H15N1O4 non-polymer 0.72 0.62 C4L C4M C20H28N2O4S1 non-polymer 0.00 0.00 C4M C4N C24Cl1H22N3O2 non-polymer 0.50 0.13 C4N C4P C24H29N3O4S1 non-polymer 0.00 0.00 C4P C4Q C18H27N5 non-polymer 0.00 0.00 C4Q C4R C10H14N1O2Rh1S1 L-peptide linking 0.00 0.00 C4R C4S C9H14N3O6P1S1 DNA linking 1.00 0.45 C4S C4T C23Cl1H20N3O2 non-polymer 0.50 0.14 C4T C4V C26H35N3O3 non-polymer 0.00 0.00 C4V C4W C8H14N4O5 non-polymer 1.00 0.88 C4W C4X C9H16O6 D-saccharide 1.00 0.67 C4X C4Y C20H24N4O2 non-polymer 0.00 0.00 C4Y C4Z C27H46O13 non-polymer 1.00 0.57 C4Z C50 C14Cl2H19N5O2 non-polymer 0.83 0.22 C50 C51 C25H25N3O1 non-polymer 0.00 0.00 C51 C52 C21F3H15N4O1 non-polymer 0.00 0.00 C52 C53 C9H7N3O1S1 non-polymer 0.00 0.00 C53 C54 C6H8O2 non-polymer 0.00 0.00 C54 C56 C17H26N4O4 non-polymer 0.20 0.12 C56 C57 C17H26N4O4 non-polymer 0.20 0.12 C57 C58 C24H25N5S1 non-polymer 0.00 0.00 C58 C5A C7H11N1O4 non-polymer 0.00 0.00 C5A C5B C7H11N1O4 non-polymer 0.00 0.00 C5B C5C C8H15N1O2S2 L-peptide linking 0.00 0.00 C5C C5D C24F6H32O3 non-polymer 0.25 0.15 C5D C5E C11H14N2O1 non-polymer 0.00 0.00 C5E C5G C15H25N3O16P2 non-polymer 1.00 0.61 C5G C5H C27F3H43O13 non-polymer 1.00 0.53 C5H C5I C15H15N7O1 non-polymer 0.00 0.00 C5I C5J C2H5N3O2 non-polymer 0.00 0.00 C5J C5K C28F3H45O13 non-polymer 1.00 0.52 C5K C5L C13H22N3O9P1 RNA linking 1.00 0.54 C5L C5M C27Cl1H33N2O4S1 non-polymer 0.00 0.00 C5M C5N C33H40N8O2 non-polymer 0.00 0.00 C5N C5P C9H14N3O8P1 non-polymer 1.00 0.48 C5P C5Q C17H13N1O4 non-polymer 0.00 0.00 C5Q C5S C5H7N1O5 non-polymer 0.87 1.00 C5S C5U C17H18N2O6 non-polymer 0.97 0.32 C5U C5V C24H19N3O3 non-polymer 0.00 0.00 C5V C5W C25H28N6O4 non-polymer 0.36 0.11 C5W C5X C10H18O6 D-saccharide 1.00 0.62 C5X C5Z C26H30N6O4 non-polymer 0.97 0.22 C5Z C60 C39H63N5O6S1 non-polymer 0.38 0.04 C60 C61 C27H48N2O5 non-polymer 0.83 0.15 C61 C62 C14H10N2O5S2 non-polymer 0.21 0.30 C62 C63 C20H43O5P1 non-polymer 0.98 0.46 C63 C64 Br1C18H13N4O1S1 non-polymer 0.00 0.00 C64 C65 C15H13N3O2 non-polymer 0.29 0.25 C65 C66 C14H24N6O4 L-peptide linking 0.00 0.00 C66 C67 C9H18N4O4 non-polymer 0.50 0.94 C67 C68 C12H19N1O8 non-polymer 0.68 0.90 C68 C69 Br1C17H16N1O3S1 non-polymer 0.00 0.00 C69 C6A C29F2H38N2O3 non-polymer 0.38 0.06 C6A C6B C9H14N3O8P1 non-polymer 1.00 0.48 C6B C6C C9H17N1O2S2 L-peptide linking 0.00 0.00 C6C C6D C9H20N4O3 non-polymer 0.50 0.94 C6D C6G C12H16N5O9P1 DNA linking 1.00 0.33 C6G C6H C24Cl1H33N2O2 non-polymer 0.00 0.00 C6H C6J C8H14N1O6P2 non-polymer 0.00 0.00 C6J C6K C24Cl1H27N2O2 non-polymer 0.00 0.00 C6K C6L C10H19N1O4 non-polymer 0.72 0.53 C6L C6M C10H18N1O6P2 non-polymer 0.00 0.00 C6M C6N C47H84O22 non-polymer 1.00 0.77 C6N C6P C11H17N2O7P1S1 non-polymer 0.00 0.00 C6P C6Q C36H63N1O9 non-polymer 1.00 0.46 C6Q C6R C23F2H21N5O2S1 non-polymer 0.00 0.00 C6R C6S B1C16H20N1O5 non-polymer 0.00 0.00 C6S C6T C11H20N3O12P3 non-polymer 1.00 0.59 C6T C6U C17Cl1F1H16N4O1S1 non-polymer 0.00 0.00 C6U C6V C25F3H17O4S1 non-polymer 0.44 0.24 C6V C6W C14H24N1O4P1 non-polymer 0.64 0.45 C6W C6Z C11Cl2H8N2S1 non-polymer 0.00 0.00 C6Z C70 C18Cl1H18N5O1S1 non-polymer 0.00 0.00 C70 C71 C23H36N4O5S2 non-polymer 0.00 0.00 C71 C72 C19Cl1H19N4O1S1 non-polymer 0.00 0.00 C72 C73 C17Cl1H19N4O2S1 non-polymer 0.00 0.00 C73 C75 C15H13N3O4S2 non-polymer 0.21 0.29 C75 C77 C25H34N10O4S1 non-polymer 1.00 0.25 C77 C78 C31H42N5O9P1 non-polymer 0.00 0.00 C78 C7B C22Cl2H24N2O4 non-polymer 0.00 0.00 C7B C7C C9Cl1H4N2O2S2 non-polymer 0.00 0.00 C7C C7G C25H36N10O23P4 non-polymer 1.00 0.52 C7G C7H C21H21N1 non-polymer 0.00 0.00 C7H C7J C27Cl1H36N3O7S1 non-polymer 0.00 0.00 C7J C7K C18H26N4O5 non-polymer 0.00 0.00 C7K C7L C30H43N3O9S1 non-polymer 1.00 0.33 C7L C7M C25Cl1H30N6O4S1 non-polymer 0.00 0.00 C7M C7N C21H21N1O1 non-polymer 0.00 0.00 C7N C7O C21F2H23N5O4S2 non-polymer 0.00 0.00 C7O C7P C5Cl1H11N3Pt1 non-polymer 0.00 0.00 C7P C7Q C25Cl1H26N3O3 non-polymer 0.00 0.00 C7Q C7R C9H14N3O6P1S1 DNA linking 1.00 0.45 C7R C7S C9H14N3O6P1S1 DNA linking 1.00 0.45 C7S C7T C27Cl1H27N4O4 non-polymer 0.00 0.00 C7T C7U C29Cl1H37N4O8S1 non-polymer 0.00 0.00 C7U C7V C20F3H15N4O2 non-polymer 0.00 0.00 C7V C7W C32F3H41N4O9S1 non-polymer 1.00 0.27 C7W C7X C23F2H21N5O2S1 non-polymer 0.00 0.00 C7X C7Y C19H20N8 non-polymer 0.00 0.00 C7Y C7Z C40H56O2 non-polymer 0.38 0.19 C7Z C80 C30H41N3O4 non-polymer 0.60 0.19 C80 C81 C23F4H22N6O2 non-polymer 0.00 0.00 C81 C82 C8Cl1H7N4 non-polymer 0.00 0.00 C82 C84 C21H34N6O16P2 non-polymer 1.00 0.67 C84 C85 C14H11N3O4S2 non-polymer 0.21 0.30 C85 C87 C23H22N6O2 non-polymer 0.29 0.16 C87 C88 C19H24N6O1 non-polymer 0.00 0.00 C88 C8A C14H17N1O6P2 non-polymer 0.00 0.00 C8A C8B C22H22N4O5 non-polymer 1.00 0.42 C8B C8C C14H14N4O1 non-polymer 0.00 0.00 C8C C8D B1C29H40N4O8 non-polymer 0.38 0.05 C8D C8E C16H34O5 non-polymer 0.88 0.76 C8E C8F C38F1H66N1O9 non-polymer 1.00 0.43 C8F C8G C18Cl2H24N4O3 non-polymer 0.00 0.00 C8G C8H C22H22N4O4 non-polymer 0.00 0.00 C8H C8J C24H32N8O6 non-polymer 1.00 0.26 C8J C8K Br1C14F1H10N2O3 non-polymer 0.00 0.00 C8K C8L C48H48N32O16 non-polymer 0.00 0.00 C8L C8M C15H23N7O4 non-polymer 1.00 0.38 C8M C8N C21H21N2O3S1 non-polymer 0.20 0.11 C8N C8P C38H67N1O9 non-polymer 1.00 0.44 C8P C8Q C20H17N1O4S1 non-polymer 0.00 0.00 C8Q C8R C15H21N5O14P2 non-polymer 0.00 0.00 C8R C8S C18H29N3O3 non-polymer 0.00 0.00 C8S C8U C16F3H15N2O4 non-polymer 0.97 0.16 C8U C8V C13H23N5O7S1 non-polymer 0.00 0.00 C8V C8W C20H19N5O5S1 non-polymer 0.81 0.23 C8W C8Y C7H11N3O5S1 non-polymer 0.00 0.00 C8Y C8Z C17H17N3 non-polymer 0.00 0.00 C8Z C90 C24H27N3O5 non-polymer 0.50 0.31 C90 C91 C24H18N4O1 non-polymer 0.00 0.00 C91 C92 C21H26N4O2 non-polymer 0.00 0.00 C92 C93 C13H15N1O5 non-polymer 0.00 0.00 C93 C94 C15F3H10N3O4S2 non-polymer 0.21 0.26 C94 C95 C15H10N2O4S1 non-polymer 0.21 0.32 C95 C96 C15H13N3O4S2 non-polymer 0.38 0.08 C96 C98 C26Cl1H26N3O4 non-polymer 0.00 0.00 C98 C99 C8H13N3O6 L-peptide linking 1.00 0.65 C99 C9A C30Cl1F1H29N3O5S1 non-polymer 0.40 0.17 C9A C9B C16H16N4O1 non-polymer 0.00 0.00 C9B C9D C12H21N5O7S1 non-polymer 0.00 0.00 C9D C9E C10H10N2O2 non-polymer 0.75 0.36 C9E C9F C22H26N2O4S1 non-polymer 0.20 0.10 C9F C9G C17H13N5O2 non-polymer 0.00 0.00 C9G C9H C7H13N3S1 non-polymer 0.00 0.00 C9H C9J C17F1H12N5O2 non-polymer 0.00 0.00 C9J C9K C5H14N2O1 non-polymer 0.46 1.00 C9K C9M C11H14O3 non-polymer 0.67 0.29 C9M C9N C6H16N2O1 non-polymer 0.46 0.89 C9N C9O Br1C21F2H14N7O3S1 non-polymer 0.00 0.00 C9O C9P B1C17H14N1O8S3 non-polymer 0.00 0.00 C9P C9Q C16Cl1H14N3O1 non-polymer 0.50 0.24 C9Q C9T C9H18O2 non-polymer 0.65 0.64 C9T C9V B1C82F2H139N2O18P2 non-polymer 1.00 0.53 C9V C9Y C18F1H12N5O4 non-polymer 0.00 0.00 C9Y C9Z C35F1H34N5O5 non-polymer 0.00 0.00 C9Z CA Ca1 non-polymer 0.00 0.00 CA CA0 C11H15N6O8P1 non-polymer 1.00 0.38 CA0 CA1 C5H10O2 non-polymer 0.75 1.00 CA1 CA2 C16H22O6 non-polymer 1.00 0.64 CA2 CA3 C36H54N9O17P3S1 non-polymer 1.00 0.35 CA3 CA4 C24Cl1H29O4 non-polymer 0.00 0.00 CA4 CA5 Br1C33H47N9O17P3S1 non-polymer 1.00 0.36 CA5 CA6 C24H42N7O18P3S1 non-polymer 1.00 0.43 CA6 CA7 C25H46O11 non-polymer 1.00 0.64 CA7 CA8 C29H44N7O18P3S1 non-polymer 1.00 0.40 CA8 CA9 C27H42O3 non-polymer 0.55 0.20 CA9 CAA C25H40N7O18P3S1 non-polymer 1.00 0.43 CAA CAB C5H9N1O5 L-peptide linking 0.88 1.00 CAB CAC As1C2H6O2 non-polymer 0.00 0.00 CAC CAD As1C2H7O2 non-polymer 0.00 0.00 CAD CAE C10H18 non-polymer 0.00 0.00 CAE CAF As1C5H12N1O3S1 L-peptide linking 0.00 0.00 CAF CAG C18H23N6O16P3 non-polymer 1.00 0.23 CAG CAH C10H16O2 non-polymer 0.00 0.00 CAH CAI C42H67N1O16 non-polymer 1.00 0.36 CAI CAJ C26H44N7O18P3 non-polymer 1.00 0.56 CAJ CAK C7H15O8P1 non-polymer 1.00 0.75 CAK CAL C16H31N1O3 peptide-like 0.00 0.00 CAL CAM C10H16O1 non-polymer 0.00 0.00 CAM CAN C4H10N2O3 non-polymer 0.67 0.89 CAN CAO C21H36N7O17P3S1 non-polymer 1.00 0.47 CAO CAP C6H14O13P2 saccharide 1.00 0.62 CAP CAQ C6H6O2 non-polymer 0.00 0.00 CAQ CAR C9H14N3O8P1 RNA linking 1.00 0.48 CAR CAS As1C5H12N1O2S1 L-peptide linking 0.00 0.00 CAS CAT C15H34N1 non-polymer 0.20 0.19 CAT CAU C18H22N2O2 non-polymer 0.58 0.41 CAU CAV C15H29N1O4 peptide-like 0.71 0.70 CAV CAW C18H20N2O7 non-polymer 1.00 0.56 CAW CAX C10H18O3 non-polymer 0.00 0.00 CAX CAY C5H9N1O4S1 L-peptide linking 0.00 0.00 CAY CAZ C17H19N5O7S2 non-polymer 0.81 0.48 CAZ CB0 Br2C2H2 non-polymer 0.00 0.00 CB0 CB1 C9H8N4O5 non-polymer 0.00 0.00 CB1 CB2 Br1C9H13N3O8P1 RNA linking 1.00 0.45 CB2 CB3 C24H23N5O6 non-polymer 0.68 0.34 CB3 CB4 B1C10H15N4O6S1 non-polymer 0.81 0.32 CB4 CB5 B18C4Co1H22 non-polymer 0.00 0.00 CB5 CB6 C17H18O6S1 non-polymer 0.00 0.00 CB6 CB7 C25H22O6S2 non-polymer 0.00 0.00 CB7 CB8 C21H20O6S2 non-polymer 0.00 0.00 CB8 CB9 C17H20N2O6S1 non-polymer 0.38 0.58 CB9 CBA C12H17N2O11P1 non-polymer 0.78 0.42 CBA CBB C25H31N5O2 non-polymer 0.55 0.22 CBB CBC C16Cl1F3H10N2O4S1 non-polymer 0.00 0.00 CBC CBD C29Cl1H20N7O11S3 non-polymer 0.00 0.00 CBD CBE C12H13N1O2S1 non-polymer 0.00 0.00 CBE CBF C7H13N1O7 non-polymer 1.00 1.00 CBF CBG C3H6O1 non-polymer 0.67 1.00 CBG CBH C9H17N1O4S1 non-polymer 0.00 0.00 CBH CBI C12H22O11 saccharide 1.00 1.00 CBI CBJ Br1C18H12N1O6 non-polymer 0.00 0.00 CBJ CBK C12H22O11 saccharide 1.00 1.00 CBK CBL C14Cl2H19N1O2 non-polymer 0.00 0.00 CBL CBM C2H4O2 non-polymer 0.00 0.00 CBM CBN C35Cl1H37N2O11 non-polymer 1.00 0.57 CBN CBO C34H50O7 non-polymer 0.96 0.20 CBO CBP C19Cl1H20N1O6S1 non-polymer 0.00 0.00 CBP CBQ C6Cl1H9N2O6P2 non-polymer 0.00 0.00 CBQ CBR Br1C9H13N3O7P1 DNA linking 1.00 0.43 CBR CBS C16H28N2O11 D-saccharide 1.00 1.00 CBS CBT C15Cl2H13N5 non-polymer 0.00 0.00 CBT CBU C6H12O6 non-polymer 1.00 1.00 CBU CBV Br1C9H13N3O8P1 RNA linking 1.00 0.45 CBV CBW C30H46O4 non-polymer 0.00 0.00 CBW CBX C1H2O2 non-polymer 0.00 0.00 CBX CBY C48Co1H72N11O8 non-polymer 0.00 0.00 CBY CBZ C8H8O2 non-polymer 0.00 0.00 CBZ CC0 C29H38N3O10P1 non-polymer 0.00 0.00 CC0 CC1 C30H41N3O10P2 non-polymer 0.00 0.00 CC1 CC2 C22H18O3 non-polymer 0.00 0.00 CC2 CC3 C21F3H18N5O1 non-polymer 0.00 0.00 CC3 CC4 C4H6O2Se1 non-polymer 0.93 0.86 CC4 CC5 C9H11N5O3 non-polymer 1.00 0.47 CC5 CC6 C15H10O6 non-polymer 0.00 0.00 CC6 CC7 C9H12N3O7P1 non-polymer 1.00 0.50 CC7 CC8 C4H8O2S1 non-polymer 0.69 0.86 CC8 CC9 C21H20O6 non-polymer 0.50 0.19 CC9 CCA C17H22N1O4 non-polymer 0.50 0.32 CCA CCB C10H17N1O1 non-polymer 0.00 0.00 CCB CCC C9H13N3O10P2 RNA linking 1.00 0.42 CCC CCD C8H20N1O1 non-polymer 0.20 0.30 CCD CCE C6H15N2O2 non-polymer 0.50 0.50 CCE CCH C33Fe1H30N4O5 non-polymer 0.38 0.05 CCH CCI C38H61I1N2O17S1 non-polymer 1.00 0.66 CCI CCK C20H20N6O2 non-polymer 0.36 0.14 CCK CCL C12H22N2O4 D-peptide linking 0.00 0.00 CCL CCM C7H12O2 non-polymer 0.00 0.00 CCM CCN C2H3N1 non-polymer 0.00 0.00 CCN CCO C10Cl1H7N2O3S1 non-polymer 0.00 0.00 CCO CCP C4H11O3P1 non-polymer 0.00 0.00 CCP CCQ C28H49N8O18P3S1 non-polymer 1.00 0.40 CCQ CCR C29H39N5O7S1 peptide-like 0.00 0.00 CCR CCS C5H9N1O4S1 L-peptide linking 0.00 0.00 CCS CCT C19H14N2O4S2 non-polymer 0.00 0.00 CCT CCU C6H6O4 non-polymer 0.50 1.00 CCU CCV C9H14N2O4 non-polymer 1.00 1.00 CCV CCW C8H17N3O4S1 non-polymer 0.43 0.62 CCW CCX C28H28N6O1 non-polymer 0.00 0.00 CCX CCY C14H19N3O4S1 L-peptide linking 0.00 0.00 CCY CCZ C14H15N2O3P1 non-polymer 0.00 0.00 CCZ CD Cd1 non-polymer 0.00 0.00 CD CD1 Cd1H2O1 non-polymer 0.00 0.00 CD1 CD2 C20H17N5O2 non-polymer 0.00 0.00 CD2 CD3 Cd1H6O3 non-polymer 0.00 0.00 CD3 CD4 C65H126O17P2 non-polymer 1.00 0.43 CD4 CD5 Cd1H10O5 non-polymer 0.00 0.00 CD5 CD6 C16H16N2O4S1 non-polymer 0.00 0.00 CD6 CD7 C12H19N5O7S1 non-polymer 0.00 0.00 CD7 CD8 C16H16N2O5S1 non-polymer 0.46 0.42 CD8 CD9 C17Cl1H12N1O5 non-polymer 0.00 0.00 CD9 CDA C20F3H19N6O2 non-polymer 0.00 0.00 CDA CDB C21F3H23N6O2 non-polymer 0.00 0.00 CDB CDC C14H26N4O11P2 non-polymer 1.00 0.65 CDC CDD C20Cl1F3H17N5O3 non-polymer 0.00 0.00 CDD CDE C5H13N1 L-peptide linking 0.00 0.00 CDE CDF C9H15N3O11P2 non-polymer 1.00 0.40 CDF CDG C10H16O8 non-polymer 1.00 0.94 CDG CDH C14H23N3O6S1 non-polymer 0.50 0.33 CDH CDI C5H12O9P2 non-polymer 0.00 0.00 CDI CDJ C15Cl1H11N2O1 non-polymer 0.00 0.00 CDJ CDK C18H21N5O4S2 non-polymer 0.50 0.17 CDK CDL C81H156O17P2 non-polymer 1.00 0.36 CDL CDM C14H25N3O14P2 non-polymer 1.00 0.67 CDM CDN C58H120O17P2 non-polymer 1.00 0.47 CDN CDO C23H32N6O4 non-polymer 0.00 0.00 CDO CDP C9H15N3O11P2 non-polymer 1.00 0.40 CDP CDQ C18Cl1H14N1O5 non-polymer 0.00 0.00 CDQ CDR C6H12O3 saccharide 0.00 0.00 CDR CDS C19H20N6O5S3 non-polymer 0.50 0.36 CDS CDT C6H12N2O3S1 non-polymer 0.00 0.00 CDT CDU C17H34N2O1 non-polymer 0.00 0.00 CDU CDV C6H12N2O3 L-peptide linking 0.59 0.73 CDV CDW C9H13N2O7P1 DNA linking 1.00 0.47 CDW CDX C11H16N4O4 non-polymer 0.00 0.00 CDX CDY C10Cl1H12N5O2 non-polymer 0.00 0.00 CDY CDZ C25H36O4 non-polymer 0.56 0.48 CDZ CE Ce1 non-polymer 0.00 0.00 CE CE0 C17H26N6O8S2 non-polymer 0.83 0.67 CE0 CE1 C28H58O9 non-polymer 0.88 0.76 CE1 CE2 C10H15N2O4 non-polymer 0.38 0.12 CE2 CE3 C16H17N5O7S2 non-polymer 0.50 0.50 CE3 CE4 C14H15N5O6S2 non-polymer 0.50 0.59 CE4 CE5 C30H52O26 non-polymer 1.00 1.00 CE5 CE6 C36H62O31 non-polymer 1.00 1.00 CE6 CE7 C4H10N2O4 L-peptide linking 0.00 0.00 CE7 CE8 C48H82O41 non-polymer 1.00 1.00 CE8 CE9 C30H62O10 non-polymer 0.88 0.78 CE9 CEA C3H7N1O3S1 L-peptide linking 0.00 0.00 CEA CEB C10Cl1H15N6 non-polymer 0.42 0.18 CEB CEC C3Cl1H6N1O1 non-polymer 0.00 0.00 CEC CED C14H16N2O4S2 non-polymer 0.00 0.00 CED CEE C8Cl1H9 non-polymer 0.00 0.00 CEE CEF C14H15N5O5S2 non-polymer 0.50 0.46 CEF CEG C9H14O8 D-saccharide 1.00 1.00 CEG CEH C32H42N6O13S1 non-polymer 0.64 0.40 CEH CEI C25H21N3O3 non-polymer 0.00 0.00 CEI CEJ C5H6O2 non-polymer 0.00 0.00 CEJ CEK C28H23N1O7 non-polymer 0.62 0.08 CEK CEL C17F3H14N3O2S1 non-polymer 0.00 0.00 CEL CEM C8H11N1O5 non-polymer 0.68 1.00 CEM CEN C15H18N2O8S1 non-polymer 0.46 0.31 CEN CEO C14H14N2O4S2 non-polymer 0.00 0.00 CEO CEP C16H18N2O6S2 non-polymer 0.56 0.23 CEP CEQ C5H14Si1 non-polymer 0.00 0.00 CEQ CER C12H19N1O3 non-polymer 0.50 0.50 CER CES C15H17N3O7S1 non-polymer 0.50 0.65 CES CET C10Cl1H15N6 non-polymer 0.42 0.18 CET CEV C11H20N2O3 non-polymer 0.65 0.44 CEV CEW C14H19N5O5S2 non-polymer 0.50 0.46 CEW CEX C30H52O26 non-polymer 1.00 1.00 CEX CEY C36H62O31 non-polymer 1.00 1.00 CEY CEZ C12H22O12 non-polymer 1.00 1.00 CEZ CF Cf1 non-polymer 0.00 0.00 CF CF0 C1F1H3 non-polymer 0.00 0.00 CF0 CF1 C15Cl1F3H11N1O3 non-polymer 0.00 0.00 CF1 CF2 C25H26N10O7 non-polymer 1.00 0.21 CF2 CF3 C15F3H18N1O2 non-polymer 0.00 0.00 CF3 CF4 C17H19N5O4 non-polymer 0.00 0.00 CF4 CF5 C11H17N4O8P1 non-polymer 1.00 0.42 CF5 CF6 C48Cl2H54N10O2S2 non-polymer 0.00 0.00 CF6 CF7 C28Cl1H29N6O5 non-polymer 0.36 0.10 CF7 CF8 C20H16O2S1 non-polymer 0.93 0.17 CF8 CF9 C18H9N1O6 non-polymer 0.00 0.00 CF9 CFA C8Cl2H6O3 non-polymer 0.00 0.00 CFA CFB C10Cl1F1H11N5O3 non-polymer 1.00 0.45 CFB CFC C14Fe1H15N1O3 non-polymer 0.20 0.16 CFC CFD C8H15N1O1 non-polymer 0.50 0.70 CFD CFE C11H16N4O5 non-polymer 1.00 0.50 CFE CFF C8H10N4O2 non-polymer 0.00 0.00 CFF CFG C23H27N3O5Si1 non-polymer 0.50 0.12 CFG CFH C3F6H2O1 non-polymer 0.33 0.40 CFH CFI C6H6N2O2 non-polymer 0.00 0.00 CFI CFJ C25Cl1H26N5O4 non-polymer 0.00 0.00 CFJ CFK C12H11N3O2S1 non-polymer 0.00 0.00 CFK CFL C9F1H13N3O7P1 DNA linking 1.00 0.43 CFL CFM FE7H1S9 non-polymer 0.00 0.00 CFM CFN FE7H1N1S9 non-polymer 0.00 0.00 CFN CFO Cl1Fe2O1 non-polymer 0.00 0.00 CFO CFP C5Cl1F1H2N4 non-polymer 0.00 0.00 CFP CFQ As1C13F3H19N1O3 non-polymer 0.29 0.38 CFQ CFS C11F2H19N1O3 non-polymer 0.93 0.24 CFS CFT C1F3H1 non-polymer 0.00 0.00 CFT CFU C10H14N2O4S1 non-polymer 0.42 0.53 CFU CFV C8H14N3O6P1 non-polymer 0.00 0.00 CFV CFX C16H17N3O7S2 non-polymer 0.00 0.00 CFX CFY C23H22N4O5S1 L-peptide linking 0.00 0.00 CFY CFZ C9F1H13N3O7P1 DNA linking 1.00 0.43 CFZ CG C11H14N6 non-polymer 0.00 0.00 CG CG1 C11H16N5O8P1 RNA linking 1.00 0.52 CG1 CG2 C19H25N8O12P1 non-polymer 1.00 0.50 CG2 CG3 C6H6N1O3 non-polymer 0.00 0.00 CG3 CG4 C28H23N5O5 non-polymer 0.00 0.00 CG4 CG5 C35F1H34N5O5 non-polymer 0.00 0.00 CG5 CG6 C4H9N1O2S1 L-peptide linking 0.56 0.88 CG6 CG7 C26Cl1H18N3O4 non-polymer 0.00 0.00 CG7 CG8 C10H14N4O4 non-polymer 0.00 0.00 CG8 CG9 C23H21N7O1 non-polymer 0.00 0.00 CG9 CGA C7H11N1O6 L-peptide linking 0.75 1.00 CGA CGB C7H13N1O4 non-polymer 0.00 0.00 CGB CGC C12H20O12 non-polymer 1.00 1.00 CGC CGD C7H5N1O1S1 non-polymer 0.00 0.00 CGD CGE C16Cl1H16N1O2S1 non-polymer 0.44 0.33 CGE CGF C7H14N4O6 D-saccharide 1.00 0.88 CGF CGG C16H18O9 non-polymer 1.00 0.52 CGG CGH C9H17N1O2 peptide linking 0.00 0.00 CGH CGJ C11H11N3O1 non-polymer 0.00 0.00 CGJ CGK C19H27N5O16P2S1 non-polymer 1.00 0.63 CGK CGM C31H51N1O9 non-polymer 1.00 0.27 CGM CGN C5H7N1O2 non-polymer 0.00 0.00 CGN CGO C32H22N6Na2O6S2 non-polymer 0.00 0.00 CGO CGP C19H25N8O10P1 non-polymer 1.00 0.47 CGP CGQ C17H22N9 non-polymer 0.09 0.31 CGQ CGR C15H23N5O14P2 non-polymer 0.00 0.00 CGR CGS C18H23N3O5S1 non-polymer 0.42 0.30 CGS CGT C15H21N1O8S2 non-polymer 1.00 0.42 CGT CGU C6H9N1O6 L-peptide linking 0.88 1.00 CGU CGV C5H9N1O5S1 L-peptide linking 0.88 1.00 CGV CGW C9H11N3O4S1 non-polymer 0.00 0.00 CGW CGY C10H17N4O8P1 DNA linking 1.00 0.52 CGY CH C9H15N3O8P1 RNA linking 1.00 0.48 CH CH0 C66H114O36 non-polymer 1.00 0.68 CH0 CH1 C9H16N3O13P3 non-polymer 1.00 0.32 CH1 CH2 C1H2 non-polymer 0.00 0.00 CH2 CH3 C1H4 non-polymer 0.00 0.00 CH3 CH4 C8H20N4O1 non-polymer 0.00 0.00 CH4 CH5 C8H21N1O6P1 non-polymer 0.98 0.88 CH5 CH6 C16H19N3O4S1 L-peptide linking 0.00 0.00 CH6 CH7 C17H17N3O4 L-peptide linking 0.00 0.00 CH7 CH8 C12Cl1H9O2 non-polymer 0.00 0.00 CH8 CH9 C12H10O1 non-polymer 0.00 0.00 CH9 CHA C9H19N1O1 non-polymer 0.00 0.00 CHA CHB C7Cl1H5O3 non-polymer 0.00 0.00 CHB CHC C26H44O4 non-polymer 0.00 0.00 CHC CHD C24H40O5 non-polymer 0.00 0.00 CHD CHF C11F2H19N1O4 peptide-like 0.93 0.22 CHF CHG C8H15N1O2 L-peptide linking 0.00 0.00 CHG CHH C8H18N1O1 non-polymer 0.20 0.30 CHH CHI C23Cl1F1H23N3O3 non-polymer 0.00 0.00 CHI CHJ C16Cl1H11O4 non-polymer 0.00 0.00 CHJ CHK C16H31N1O7 non-polymer 0.97 0.62 CHK CHL C55H70Mg1N4O6 non-polymer 0.62 0.27 CHL CHN C7H16N2 non-polymer 0.00 0.00 CHN CHO C26H43N1O5 non-polymer 0.00 0.00 CHO CHP C8Cl1H8N1O3 L-peptide linking 0.00 0.00 CHP CHQ C11H14N4O2 non-polymer 0.00 0.00 CHQ CHR C35H33N1O12 non-polymer 1.00 0.23 CHR CHS C11H21N1O3 peptide-like 0.00 0.00 CHS CHT C5H14N1O1 non-polymer 0.43 0.71 CHT CHU C21F1H18N5O5S1 non-polymer 0.00 0.00 CHU CHV C15Cl1H9O5 non-polymer 0.00 0.00 CHV CHW C19Cl1H25O4 non-polymer 0.58 0.42 CHW CHX C6H12 non-polymer 0.00 0.00 CHX CHZ C14H8O4 non-polymer 0.00 0.00 CHZ CI1 C23Cl1H24N1O6S1 non-polymer 0.95 0.38 CI1 CI2 C21H32O2 non-polymer 0.00 0.00 CI2 CI3 C23Cl1H24N1O4 non-polymer 0.95 0.41 CI3 CI4 C15Cl1F1H11N1O3 non-polymer 0.00 0.00 CI4 CI9 C29H46N8O15 non-polymer 0.88 0.69 CI9 CIA C22H19N3O4 non-polymer 0.00 0.00 CIA CIB C20H37N3O4 non-polymer 0.00 0.00 CIB CIC C27H44N7O21P3S1 non-polymer 1.00 0.58 CIC CID C19Cl3H12N3O1S1 non-polymer 0.32 0.26 CID CIE C15Cl1H15N4O6S1 non-polymer 0.75 0.19 CIE CIG C4Cl1H4N3 non-polymer 0.00 0.00 CIG CIH C17Cl2H12N2O2 non-polymer 0.75 0.13 CIH CII C17H25N3O2 non-polymer 0.00 0.00 CII CIJ C15Cl1F1H9N1O4 non-polymer 0.00 0.00 CIJ CIL C16H26N2O5S1 non-polymer 0.93 0.33 CIL CIN C10H8O4 non-polymer 0.58 0.36 CIN CIO C20H25N1O4 non-polymer 0.00 0.00 CIO CIP C7H13O7P1 non-polymer 1.00 0.80 CIP CIQ C30H47N5O2 non-polymer 0.36 0.11 CIQ CIR C6H13N3O3 L-peptide linking 0.00 0.00 CIR CIS C48H91N1O11S1 non-polymer 1.00 0.44 CIS CIT C6H8O7 non-polymer 0.84 1.00 CIT CIU C13H17I1N2O1 non-polymer 0.00 0.00 CIU CIW C17Cl1H12N1O5 non-polymer 0.00 0.00 CIW CIX B1C25H42N3O6 peptide-like 0.00 0.00 CIX CIY C10H10O3 non-polymer 0.50 0.23 CIY CIZ C5H6O4 non-polymer 0.93 1.00 CIZ CJ1 C11H14N3O8P1 DNA linking 1.00 0.39 CJ1 CJ2 C18F3H15N4O3 non-polymer 0.00 0.00 CJ2 CJ3 B1C8H8N3O1S1 non-polymer 0.00 0.00 CJ3 CJ4 C21F1H27N8O1 non-polymer 1.00 0.45 CJ4 CJ5 C26F3H25N8O1 non-polymer 0.00 0.00 CJ5 CJ7 C17F1H20N5S1 non-polymer 0.00 0.00 CJ7 CJ8 C10H20N2O4 non-polymer 0.76 1.00 CJ8 CJB C10H14N2O7 non-polymer 1.00 0.63 CJB CJC C19Cl1H19N8O1S1 non-polymer 0.00 0.00 CJC CJD C22Cl2H24N2O5 non-polymer 0.00 0.00 CJD CJE C7H12O3 non-polymer 0.65 1.00 CJE CJG C22Cl2H21N3O3 non-polymer 0.00 0.00 CJG CJH C19H18N2O3 non-polymer 0.75 0.12 CJH CJJ C14Cl1H13N6O2S2 non-polymer 0.00 0.00 CJJ CJK C15H17N3O4S1 non-polymer 0.00 0.00 CJK CJM C22F2H26N8O1 non-polymer 0.00 0.00 CJM CJN C17H27N5 non-polymer 0.36 0.18 CJN CJO C15H21N3O5 L-peptide linking 0.00 0.00 CJO CJP C16Cl2H14N2O2S1 non-polymer 0.00 0.00 CJP CJQ C21H28N4O3S1 non-polymer 0.00 0.00 CJQ CJT C21H32N6O1 non-polymer 0.20 0.11 CJT CJV C39F1H53N6O5S1 non-polymer 0.20 0.06 CJV CJW C19H19N3O7 non-polymer 1.00 0.48 CJW CJY C22H19N1O3 non-polymer 0.00 0.00 CJY CJZ C13Cl2H9N1O3 non-polymer 0.00 0.00 CJZ CK1 C8Cl2H5N3S1 non-polymer 0.00 0.00 CK1 CK2 C9H10N4S1 non-polymer 0.00 0.00 CK2 CK3 C10H11N5O1S1 non-polymer 0.00 0.00 CK3 CK4 C16F3H13N4S1 non-polymer 0.00 0.00 CK4 CK5 C15H14N4O1S1 non-polymer 0.00 0.00 CK5 CK6 C15H15N5O1S1 non-polymer 0.00 0.00 CK6 CK7 C14H12N6O2S1 non-polymer 0.00 0.00 CK7 CK8 C17H19N5S1 non-polymer 0.20 0.13 CK8 CK9 C19H26N6O2 non-polymer 0.50 0.37 CK9 CKA C10Cl1H6N1O3 non-polymer 0.00 0.00 CKA CKB C11H16N2O7 non-polymer 1.00 1.00 CKB CKC C7H16N2O1 non-polymer 0.00 0.00 CKC CKD C33F3H32N3O3S1 non-polymer 0.00 0.00 CKD CKE C25H34N6 non-polymer 0.00 0.00 CKE CKG C22H25N7O1 non-polymer 0.00 0.00 CKG CKH C18F1H17N2O1 non-polymer 0.00 0.00 CKH CKI C11Cl1H12N3O2S1 non-polymer 0.00 0.00 CKI CKJ C22F1H29N6 non-polymer 0.00 0.00 CKJ CKK C27F2H27N7O3 non-polymer 0.00 0.00 CKK CKM C34F3H34N3O3S1 non-polymer 0.00 0.00 CKM CKN C22H33N7O2 non-polymer 0.00 0.00 CKN CKP C6H11O10P1 non-polymer 1.00 0.76 CKP CKQ C21H21N3O7 non-polymer 1.00 0.45 CKQ CKR C15H19N7O2 non-polymer 0.00 0.00 CKR CKS C34F3H34N3O3S1 non-polymer 0.00 0.00 CKS CKT C11H15N2O7P1S1 non-polymer 0.93 0.18 CKT CKV C34F3H34N3O3S1 non-polymer 0.00 0.00 CKV CKW C20H21N3O5 non-polymer 1.00 0.50 CKW CKY C34F3H34N3O3S1 non-polymer 0.00 0.00 CKY CKZ C21H21N3O5 non-polymer 1.00 0.48 CKZ CL Cl1 non-polymer 0.00 0.00 CL CL0 C55H72Mg1N4O5 non-polymer 0.62 0.28 CL0 CL1 C55H72Mg1N4O5 non-polymer 0.62 0.28 CL1 CL2 C55H72Mg1N4O5 non-polymer 0.62 0.28 CL2 CL3 C20H17N5O1 non-polymer 0.57 0.19 CL3 CL4 C19H19N7O8 non-polymer 1.00 0.41 CL4 CL5 C5H9N1O3 non-polymer 0.64 1.00 CL5 CL6 C22Cl1H17N2 non-polymer 0.00 0.00 CL6 CL7 C54H70Mg1N4O6 non-polymer 0.62 0.25 CL7 CL8 C15Cl2H16N2O8 non-polymer 0.96 0.30 CL8 CL9 C10Cl1H12N5O3 non-polymer 1.00 0.47 CL9 CLA C55H72Mg1N4O5 non-polymer 0.62 0.28 CLA CLB B1C13Cl1H19N2O6 D-peptide linking 0.83 0.65 CLB CLC C11H14N2O5 non-polymer 0.58 0.56 CLC CLD B1C13Cl1H19N2O6 D-peptide linking 0.83 0.65 CLD CLE C6H14N2O1 L-peptide linking 0.00 0.00 CLE CLF FE8S7 non-polymer 0.00 0.00 CLF CLG C10H20N4O5 L-peptide linking 0.00 0.00 CLG CLH C10H17N3O5 L-peptide linking 0.00 0.00 CLH CLI C12Cl2H9N1O4 non-polymer 0.00 0.00 CLI CLJ C47H59I1N2O19S4 non-polymer 1.00 0.42 CLJ CLK C11Cl2H14N2O3 non-polymer 0.00 0.00 CLK CLL C45H76O2 non-polymer 0.38 0.19 CLL CLM C11Cl2H12N2O5 non-polymer 0.00 0.00 CLM CLN C34Fe1H32N4O4S1 non-polymer 0.38 0.05 CLN CLO Cl1 non-polymer 0.00 0.00 CLO CLP Fe8S8 non-polymer 0.00 0.00 CLP CLQ C18Cl1H26N3 non-polymer 0.00 0.00 CLQ CLR C27H46O1 non-polymer 0.00 0.00 CLR CLS C16H16N2O6S2 non-polymer 0.46 0.31 CLS CLT C10H12O2 non-polymer 0.00 0.00 CLT CLU C9Cl2H9N3 non-polymer 0.00 0.00 CLU CLV C7H11N3O3 L-peptide linking 0.00 0.00 CLV CLW C7Cl1H4N1O2 non-polymer 0.00 0.00 CLW CLX C2Cl3H1O1 non-polymer 0.00 0.00 CLX CLY C18Cl1H33N2O5S1 non-polymer 1.00 0.44 CLY CLZ C8Cl1H8N5O2 non-polymer 0.00 0.00 CLZ CM C2H4O2 non-polymer 0.00 0.00 CM CM0 C11H15N2O12P1 RNA linking 1.00 0.69 CM0 CM1 C36Fe1H51N5O12 non-polymer 0.41 0.13 CM1 CM2 C35Fe1H49N5O12 non-polymer 0.41 0.13 CM2 CM3 C29F1H32N1O4 non-polymer 0.00 0.00 CM3 CM4 C28H31N1O4 non-polymer 0.00 0.00 CM4 CM5 C23H42O11 non-polymer 1.00 0.68 CM5 CM6 C19H15N5O3S2 non-polymer 0.00 0.00 CM6 CM7 C32F3H35N4O4S1 non-polymer 0.00 0.00 CM7 CM8 C31F3H37N4O4S1 non-polymer 0.00 0.00 CM8 CM9 C18H27N3O2S1 non-polymer 0.00 0.00 CM9 CMA C9H18N4O4 non-polymer 0.63 0.71 CMA CMB C25Cl2H22N4O1 non-polymer 0.00 0.00 CMB CMC C23H38N7O18P3S1 non-polymer 1.00 0.44 CMC CMD C32H34N2O12 non-polymer 1.00 0.39 CMD CME C5H11N1O3S2 L-peptide linking 0.00 0.00 CME CMF C27H30N2O4 non-polymer 0.00 0.00 CMF CMG C12H17N5O1 non-polymer 0.00 0.00 CMG CMH C4H9Hg1N1O2S1 L-peptide linking 0.00 0.00 CMH CMI C27H28N4O1 non-polymer 0.00 0.00 CMI CMJ C43H88 non-polymer 0.00 0.00 CMJ CMK C17H26N3O15P1 non-polymer 1.00 0.72 CMK CML C7H11N1O6S1 L-peptide linking 0.96 0.53 CML CMM C30H35N5O6 non-polymer 0.56 0.37 CMM CMN C7H13N1O4 non-polymer 0.00 0.00 CMN CMO C1O1 non-polymer 0.00 0.00 CMO CMP C10H12N5O6P1 non-polymer 1.00 0.45 CMP CMQ C24H32N2O5 non-polymer 0.00 0.00 CMQ CMR C10H16N3O6P1 DNA linking 1.00 0.45 CMR CMS C4H8N2O3 non-polymer 0.71 0.67 CMS CMT C4H9N1O2S1 L-peptide linking 0.56 0.88 CMT CMU C9Cl1H11N4O2 non-polymer 0.00 0.00 CMU CMV C22H29N5O6S1 non-polymer 0.00 0.00 CMV CMW C16H19N3O4S1 non-polymer 0.00 0.00 CMW CMX C23H38N7O18P3 non-polymer 1.00 0.45 CMX CMY C7H16N2O2 non-polymer 0.00 0.00 CMY CMZ C15H23N1O3 non-polymer 0.00 0.00 CMZ CN C1H1N1 non-polymer 0.00 0.00 CN CN1 Fe3H9O12 non-polymer 0.00 0.00 CN1 CN2 C22H25N1O6S1 non-polymer 0.00 0.00 CN2 CN3 C36H68O17P2 non-polymer 1.00 0.65 CN3 CN4 C30F3H32N3O3S1 non-polymer 0.00 0.00 CN4 CN5 C26H52O13P2 non-polymer 1.00 0.61 CN5 CN6 C31H58O17P2 non-polymer 1.00 0.72 CN6 CN7 C35H36N2O4 non-polymer 0.00 0.00 CN7 CN8 C22H32N8O3S1 non-polymer 0.00 0.00 CN8 CNA C22H30N7O13P2 non-polymer 1.00 0.52 CNA CNB Fe3H8O11 non-polymer 0.00 0.00 CNB CNC C63Co1H88N14O14P1 non-polymer 1.00 0.11 CNC CND C21H27N7O14P2 non-polymer 1.00 0.57 CND CNE C31Cl1F1H36N2O8S1 non-polymer 0.97 0.09 CNE CNF Fe3H9O12 non-polymer 0.00 0.00 CNF CNG C10H19N1O2 peptide linking 0.00 0.00 CNG CNH C4H7N1O1 non-polymer 0.56 0.83 CNH CNI C9H2N4O4 non-polymer 0.00 0.00 CNI CNK C18H19N3O5 non-polymer 1.00 0.54 CNK CNL C10H18O1 non-polymer 0.00 0.00 CNL CNM C2H5N1O1 non-polymer 0.00 0.00 CNM CNN C1H2N2 non-polymer 0.00 0.00 CNN CNO C30H32N2O8 non-polymer 0.81 0.35 CNO CNP C14H23N1O8 non-polymer 1.00 1.00 CNP CNQ C15Cl1H10N3O1 non-polymer 0.00 0.00 CNQ CNR C3Cl1H5O2 non-polymer 0.75 0.83 CNR CNS C24H48O2 non-polymer 0.58 0.31 CNS CNT C10Cl1H12N1O3 non-polymer 0.50 0.53 CNT CNU C10H12N3O9P1 RNA linking 1.00 0.43 CNU CNV C3H5N1 non-polymer 0.42 0.75 CNV CNW C14H16N2O3 non-polymer 0.00 0.00 CNW CNX C7H13N1 non-polymer 0.00 0.00 CNX CNY C23H44N6O12 non-polymer 1.00 1.00 CNY CNZ C24H28N3O7S1 non-polymer 0.00 0.00 CNZ CO Co1 non-polymer 0.00 0.00 CO CO1 C27H44O2 non-polymer 0.00 0.00 CO1 CO2 C1O2 non-polymer 0.00 0.00 CO2 CO3 C1O3 non-polymer 0.00 0.00 CO3 CO4 C19H24N6O3 non-polymer 0.00 0.00 CO4 CO5 Co1H10O5 non-polymer 0.00 0.00 CO5 CO6 C25H42N7O17P3S1 non-polymer 1.00 0.43 CO6 CO7 C25H40N7O17P3S1 non-polymer 1.00 0.53 CO7 CO8 C29H50N7O17P3S1 non-polymer 1.00 0.40 CO8 CO9 C22H25N5O5 non-polymer 0.00 0.00 CO9 COA C21H36N7O16P3S1 non-polymer 1.00 0.48 COA COB C63Co1H91N13O14P1 non-polymer 1.00 0.11 COB COC C17H21N1O4 non-polymer 0.50 0.32 COC COD C21H35N7O13P2S1 non-polymer 1.00 0.52 COD COE C20H22N6O6 non-polymer 1.00 0.75 COE COF C24F3H37N7O17P3S1 non-polymer 1.00 0.42 COF COG C18H21N5O2 non-polymer 0.00 0.00 COG COH C34Co1H32N4O4 non-polymer 0.38 0.09 COH COI C6H10O3 non-polymer 0.62 0.78 COI COJ C45H60N4O14 non-polymer 0.00 0.00 COJ COK C23H40N7O17P3S2 non-polymer 1.00 0.44 COK COL C10H9N1O5S2 non-polymer 0.00 0.00 COL COM C2H6O3S2 non-polymer 0.00 0.00 COM CON Co1H12N4 non-polymer 0.00 0.00 CON COO C25H40N7O17P3S1 non-polymer 1.00 0.53 COO COP C27H27N9O6 non-polymer 0.55 0.31 COP COQ C17H20N6O2 non-polymer 0.00 0.00 COQ COR C17H22N2O1 non-polymer 0.00 0.00 COR COS C21H36N7O16P3S2 non-polymer 1.00 0.47 COS COT C33H48N9O17P3S1 non-polymer 1.00 0.37 COT COU C9H6O2 non-polymer 0.00 0.00 COU COV C28H44O4 non-polymer 0.60 0.19 COV COW C28H41N8O17P3S1 non-polymer 1.00 0.40 COW COX C16H14N2O3S1 non-polymer 0.00 0.00 COX COY C72Co1H106N18O14P1 non-polymer 1.00 0.09 COY COZ C21H36N7O16P3S1 non-polymer 1.00 0.48 COZ CP C1H4N1O5P1 non-polymer 0.00 0.00 CP CP0 C33H38N4O6 non-polymer 0.00 0.00 CP0 CP1 C11H17N5O4 DNA linking 0.58 0.45 CP1 CP2 C3Cl2H6 non-polymer 0.00 0.00 CP2 CP3 C36H44N4O8 non-polymer 0.00 0.00 CP3 CP4 C24Cl2H24N4O4 non-polymer 0.67 0.41 CP4 CP5 C9H6O5P1 non-polymer 0.90 0.60 CP5 CP6 C12Cl1H13N4 non-polymer 0.00 0.00 CP6 CP7 C12H14N4 non-polymer 0.00 0.00 CP7 CP8 C19H20N2O4S1 non-polymer 0.00 0.00 CP8 CP9 C21H16N4O1S1 non-polymer 0.00 0.00 CP9 CPA C19H25N8O9P1 non-polymer 1.00 0.49 CPA CPB C21Cl1H20N1O5 non-polymer 0.00 0.00 CPB CPC C6H11N1O2 L-peptide linking 0.00 0.00 CPC CPD C28Cl2F3H36N6O8P1 non-polymer 0.20 0.06 CPD CPF C17F1H18N3O3 non-polymer 0.00 0.00 CPF CPG C10H14N5O8P1 non-polymer 1.00 0.42 CPG CPH C21H24O9 non-polymer 0.95 0.43 CPH CPI C6H11N1O2 D-peptide linking 0.00 0.00 CPI CPJ C16H24N2O12 non-polymer 0.00 0.00 CPJ CPK C18H26N2O12 non-polymer 0.00 0.00 CPK CPL C42H80N1O8P1 non-polymer 0.98 0.60 CPL CPM C11H16N2O2S1 non-polymer 0.00 0.00 CPM CPN C10H16N5O4 peptide-like 0.00 0.00 CPN CPO C35Fe1H53N6O13 non-polymer 0.58 0.16 CPO CPP C7H12O1 non-polymer 0.50 0.75 CPP CPQ C42H75N3O15 non-polymer 0.99 0.55 CPQ CPR C10Cl1H13N4O7P1 non-polymer 1.00 0.43 CPR CPS C32H58N2O7S1 non-polymer 0.20 0.07 CPS CPT Cl2H6N2Pt1 non-polymer 0.00 0.00 CPT CPU C16H24N2O1 non-polymer 0.00 0.00 CPU CPV C15H29N1O3 non-polymer 0.00 0.00 CPV CPW C10H13N3O4 non-polymer 0.00 0.00 CPW CPX C24H38N4O4 non-polymer 0.00 0.00 CPX CPY C15H24N2O2 non-polymer 0.00 0.00 CPY CPZ C9Cl1H7N2 non-polymer 0.00 0.00 CPZ CQ0 C21H24N4O1 non-polymer 0.38 0.08 CQ0 CQ1 C15H16N6O4 peptide linking 0.00 0.00 CQ1 CQ2 C15H18N4O4 L-peptide linking 0.00 0.00 CQ2 CQ3 C18Cl1H22N5O2 non-polymer 0.00 0.00 CQ3 CQ4 Cr1O4 non-polymer 0.00 0.00 CQ4 CQ5 C26H37N5O3 non-polymer 0.00 0.00 CQ5 CQ6 C14H22N4O3S1 non-polymer 0.00 0.00 CQ6 CQ7 C28H28N6O4 non-polymer 0.50 0.11 CQ7 CQ8 C18Cl1H21N4O2 non-polymer 0.50 0.16 CQ8 CQA C20Cl1H22N3O1 non-polymer 0.00 0.00 CQA CQB C12H19N1O8 non-polymer 0.97 0.90 CQB CQD C15Cl1H16N3O3 non-polymer 0.00 0.00 CQD CQE C30F3H28N5O3S2 non-polymer 0.00 0.00 CQE CQF C22Cl1H21N6 non-polymer 0.00 0.00 CQF CQG C5H5N1O1 non-polymer 0.00 0.00 CQG CQH C26H29N3O4S1 non-polymer 0.00 0.00 CQH CQJ C6H7N1O1 non-polymer 0.00 0.00 CQJ CQK C7H6N6O2 non-polymer 0.00 0.00 CQK CQL C9Cl1H5I1N1O1 non-polymer 0.00 0.00 CQL CQM C26H42N7O20P3S1 non-polymer 1.00 0.54 CQM CQN C24H34N2O1 non-polymer 0.56 0.33 CQN CQP C21Cl1H22N3O3S1 non-polymer 0.00 0.00 CQP CQQ C28H29N7O2 non-polymer 0.20 0.08 CQQ CQR C13H13N3O4 L-peptide linking 0.00 0.00 CQR CQS C15H17N7O3S1 non-polymer 0.00 0.00 CQS CQT C14H19N7O2 non-polymer 0.00 0.00 CQT CQU C15H13N7 non-polymer 0.00 0.00 CQU CQV C10H13N1O2 non-polymer 0.00 0.00 CQV CQW C12Cl1H11N6 non-polymer 0.00 0.00 CQW CQX C18H36O7 non-polymer 1.00 0.72 CQX CQY C21H26N4O4S1 non-polymer 0.00 0.00 CQY CQZ C9H12N2O3 non-polymer 0.00 0.00 CQZ CR Cr1 non-polymer 0.00 0.00 CR CR0 C12H21N3O4 L-peptide linking 0.00 0.00 CR0 CR1 C8H15N1O7 D-saccharide 1.00 0.75 CR1 CR2 C13H13N3O4 L-peptide linking 0.00 0.00 CR2 CR3 C20H21N3O2 non-polymer 0.00 0.00 CR3 CR4 C14H12N4O1 non-polymer 0.00 0.00 CR4 CR5 C6H10N3O5 L-peptide linking 1.00 0.71 CR5 CR6 C9H16N2O7 D-saccharide 1.00 0.83 CR6 CR7 C17H22N4O4 L-peptide linking 0.00 0.00 CR7 CR8 C17H16N5O4 L-peptide linking 0.00 0.00 CR8 CR9 C21F1H23N4O2 non-polymer 0.00 0.00 CR9 CRA C9H16N2O8 D-saccharide 1.00 0.79 CRA CRB C8H15O8P1 non-polymer 1.00 0.76 CRB CRC C10H20O2 non-polymer 0.00 0.00 CRC CRD C4H6O1 non-polymer 0.50 1.00 CRD CRE C15H24 non-polymer 0.38 0.20 CRE CRF C17H18N4O4 L-peptide linking 0.00 0.00 CRF CRG C12H15N5O4 L-peptide linking 0.00 0.00 CRG CRH C21H24O7 non-polymer 0.95 0.46 CRH CRI C24H23N3O4 non-polymer 0.50 0.13 CRI CRJ C20F4H22N4O4S1 non-polymer 0.00 0.00 CRJ CRK C16H15N2O4S1 L-peptide linking 0.00 0.00 CRK CRL C17H30N4O5S1Si1 non-polymer 0.00 0.00 CRL CRM C14H18N4O9 non-polymer 0.97 0.37 CRM CRN C4H9N3O2 non-polymer 0.71 0.67 CRN CRO C15H17N3O5 L-peptide linking 0.00 0.00 CRO CRP C15Cl3H18N1O1 non-polymer 0.00 0.00 CRP CRQ C16H16N4O5 L-peptide linking 0.00 0.00 CRQ CRR C22H15N3O4 non-polymer 0.00 0.00 CRR CRS C7H8O1 non-polymer 0.00 0.00 CRS CRT C42H60O2 non-polymer 0.58 0.59 CRT CRU C16H15N3O6 L-peptide linking 0.56 0.24 CRU CRV C22F3H26N3O4S1 non-polymer 0.00 0.00 CRV CRW C8H11N3O3 L-peptide linking 0.00 0.00 CRW CRX C8H13N3O4 L-peptide linking 0.00 0.00 CRX CRY C3H8O3 non-polymer 0.97 1.00 CRY CRZ C16H15N1O2 non-polymer 0.00 0.00 CRZ CS Cs1 non-polymer 0.00 0.00 CS CS0 C5H11N1O3S1 L-peptide linking 0.00 0.00 CS0 CS1 C9H12N2O2S2 L-peptide linking 0.00 0.00 CS1 CS2 C6H12O7 non-polymer 0.99 1.00 CS2 CS3 C10H13N1O3S2 L-peptide linking 0.00 0.00 CS3 CS4 C12Cl2H13N1O3S1 L-peptide linking 0.00 0.00 CS4 CS5 C33F2H41N3O4 non-polymer 0.00 0.00 CS5 CS7 C35F2H43N3O4 non-polymer 0.00 0.00 CS7 CS8 C28H48N7O17P3S2 RNA linking 1.00 0.40 CS8 CS9 C34F2H41N3O4 non-polymer 0.00 0.00 CS9 CSA C6H11N1O3S1 L-peptide linking 0.00 0.00 CSA CSB C3H6N1O2Pb1S1 L-peptide linking 0.00 0.00 CSB CSC C16H22N3O8S1 non-polymer 0.46 0.29 CSC CSD C3H7N1O4S1 L-peptide linking 0.00 0.00 CSD CSE C3H7N1O2Se1 L-peptide linking 0.00 0.00 CSE CSF C20F1H30N4O16P1 RNA linking 1.00 0.74 CSF CSG C9H17N4O13P3 non-polymer 1.00 0.34 CSG CSH C11H17N5O4 L-peptide linking 0.00 0.00 CSH CSI C7H12N4O4 non-polymer 0.00 0.00 CSI CSJ C10H12N2O3S1 L-peptide linking 0.56 0.56 CSJ CSK C4H9N1O2S1Se1 L-peptide linking 0.00 0.00 CSK CSL C10H16N3O7P1Se1 DNA linking 1.00 0.41 CSL CSM C12H17N2O10P1 DNA linking 1.00 0.52 CSM CSN C6H5N1O7S1 non-polymer 0.00 0.00 CSN CSO C3H7N1O3S1 L-peptide linking 0.00 0.00 CSO CSP C3H8N1O5P1S1 L-peptide linking 0.00 0.00 CSP CSQ C18H24N5O12P1S1 non-polymer 1.00 0.54 CSQ CSR As1C3H8N1O5S1 L-peptide linking 0.00 0.00 CSR CSS C3H7N1O2S2 L-peptide linking 0.00 0.00 CSS CSU C3H7N1O5S2 L-peptide linking 0.00 0.00 CSU CSV C18H24N5O12P1S1 non-polymer 1.00 0.54 CSV CSW C3H7N1O4S1 L-peptide linking 0.00 0.00 CSW CSX C3H7N1O3S1 L-peptide linking 0.00 0.00 CSX CSY C14H15N3O5 L-peptide linking 0.00 0.00 CSY CSZ C3H7N1O2S1Se1 L-peptide linking 0.00 0.00 CSZ CT0 C10H13N3O2S1 non-polymer 0.00 0.00 CT0 CT1 C18H27N1O3 non-polymer 0.00 0.00 CT1 CT2 C19H27N1O3 non-polymer 0.00 0.00 CT2 CT3 C18H32O16 saccharide 1.00 1.00 CT3 CT4 C6Cl1H8N5O2S1 non-polymer 0.00 0.00 CT4 CT5 C20H20N2O4 non-polymer 0.00 0.00 CT5 CT6 Br1C18H15N5 non-polymer 0.00 0.00 CT6 CT7 C13Cl1H11N4O2S1 non-polymer 0.00 0.00 CT7 CT8 Br1C17H14N6 non-polymer 0.00 0.00 CT8 CT9 C23H33N7O2S1 non-polymer 0.00 0.00 CT9 CTA C36H45N9O8 non-polymer 0.00 0.00 CTA CTB B1C7H10N1O3S1 non-polymer 0.00 0.00 CTB CTC C22Cl1H23N2O8 non-polymer 0.20 0.09 CTC CTD C10H14N2O5 non-polymer 1.00 0.59 CTD CTE C11Cl1H11N2O2 L-peptide linking 0.00 0.00 CTE CTF C21H28N2O4S1 non-polymer 0.00 0.00 CTF CTG C10H17N2O10P1 DNA linking 1.00 0.83 CTG CTH C4Cl1H8N1O3 L-peptide linking 0.00 0.00 CTH CTI C21H18N1O4 non-polymer 0.00 0.00 CTI CTJ C22H25N6O7S2 non-polymer 0.81 0.41 CTJ CTK C9H13N3O4S1 non-polymer 0.00 0.00 CTK CTL C10H13N1O1 non-polymer 0.00 0.00 CTL CTM C22Cl1H22N1O4S1 non-polymer 0.62 0.31 CTM CTN C9H13N3O5 non-polymer 1.00 0.59 CTN CTO C24H41N3O16 D-saccharide 1.00 1.00 CTO CTP C9H16N3O14P3 non-polymer 1.00 0.34 CTP CTR C18H32O16 D-saccharide 1.00 1.00 CTR CTS C8H15N1O4 non-polymer 1.00 0.92 CTS CTT C24H42O21 D-saccharide 1,4 and 1,4 linking 1.00 1.00 CTT CTV C10H15N1 non-polymer 0.38 0.73 CTV CTW C22F1H29N3O13P1 peptide-like 0.68 0.78 CTW CTX C26H29N1O1 non-polymer 0.50 0.18 CTX CTY C38H69N1O13 non-polymer 1.00 0.40 CTY CTZ C26H21N3O4 non-polymer 0.00 0.00 CTZ CU Cu1 non-polymer 0.00 0.00 CU CU1 Cu1 non-polymer 0.00 0.00 CU1 CU3 Cu1 non-polymer 0.00 0.00 CU3 CU4 C24F1H17N4O3S1 non-polymer 0.00 0.00 CU4 CU5 C16H14O5 non-polymer 0.00 0.00 CU5 CU6 C26Cu1H36N6O4S1 non-polymer 0.00 0.00 CU6 CU7 C6H15O8P1 non-polymer 1.00 0.87 CU7 CU8 C14H12N4O1 non-polymer 0.00 0.00 CU8 CU9 C40H48N2O6 non-polymer 0.00 0.00 CU9 CUA CU2 non-polymer 0.00 0.00 CUA CUB C5Cu1H10N1O2S1 non-polymer 0.00 0.00 CUB CUC C8H15N1O2 L-peptide linking 0.00 0.00 CUC CUD C7H10N4O3 D-peptide linking 0.00 0.00 CUD CUE C15H8O5 non-polymer 0.00 0.00 CUE CUF C34Cu1F2H38N4O4 non-polymer 0.00 0.00 CUF CUG C14H17N5O7S2 non-polymer 0.50 0.57 CUG CUH C13H10O4 non-polymer 0.00 0.00 CUH CUK CU4S2 non-polymer 0.00 0.00 CUK CUL Cl2Cu1 non-polymer 0.00 0.00 CUL CUM Cu1H2O2S1 non-polymer 0.00 0.00 CUM CUN Cu1H2O2S1 non-polymer 0.00 0.00 CUN CUO CU2O2 non-polymer 0.00 0.00 CUO CUP C16Cu1H13N1O3 non-polymer 0.00 0.00 CUP CUQ C13H10O3 non-polymer 0.00 0.00 CUQ CUR C21H20O6 non-polymer 0.50 0.33 CUR CUS C13Cu1H15N1O3 non-polymer 0.00 0.00 CUS CUT C13H10O3 non-polymer 0.00 0.00 CUT CUV FE4NI1S4 non-polymer 0.00 0.00 CUV CUW C6H14N2O3 non-polymer 0.00 0.00 CUW CUX C19Cl1H19N4O5 non-polymer 1.00 0.38 CUX CUY C42H84O2 non-polymer 0.58 0.18 CUY CUZ CU4S1 non-polymer 0.00 0.00 CUZ CV1 Br1C15H21N5O13P2 non-polymer 0.00 0.00 CV1 CV2 C9H12N1O3P1 non-polymer 0.25 0.14 CV2 CV4 C18F3H16N5O2S1 non-polymer 0.00 0.00 CV4 CV7 C28H38O6 non-polymer 0.50 0.24 CV7 CV8 C21H30N2O5 non-polymer 0.44 0.25 CV8 CV9 C49H71N1O12 non-polymer 1.00 0.18 CV9 CVA C33H40N4O5 non-polymer 0.54 0.24 CVA CVB B1C9H9O4 non-polymer 0.58 0.36 CVB CVC C9H14N3O10P1V1 RNA linking 1.00 0.42 CVC CVD C24H26N2O4 non-polymer 0.73 0.30 CVD CVE C27H27N7O7 non-polymer 1.00 0.51 CVE CVF C17H17N1O3 non-polymer 0.00 0.00 CVF CVG C5H6N2O1 non-polymer 0.00 0.00 CVG CVI C25H30N3 non-polymer 0.20 0.11 CVI CVJ C20H23N3O2 non-polymer 0.00 0.00 CVJ CVK C24H26N2O3 non-polymer 0.20 0.10 CVK CVL C26H32N6O4 non-polymer 0.75 0.28 CVL CVM C22H40O11 non-polymer 1.00 0.70 CVM CVN C15F6H8N2O2 non-polymer 0.00 0.00 CVN CVP C26H30N6O2 non-polymer 0.00 0.00 CVP CVQ C27F2H24N6O4 non-polymer 0.00 0.00 CVQ CVR C16H23N5O12P2 non-polymer 0.00 0.00 CVR CVT C21H20N2O4 non-polymer 0.25 0.19 CVT CVU C6H12O5 non-polymer 0.98 1.00 CVU CVV C27H27I1N2O3 non-polymer 0.00 0.00 CVV CVW C11H14N2 non-polymer 0.00 0.00 CVW CVX C5H13O3P1 non-polymer 0.56 0.67 CVX CVZ C33H44N6O6 non-polymer 1.00 0.29 CVZ CW1 C34H52O12 non-polymer 1.00 0.54 CW1 CW2 C12Cl4H20N2O2 non-polymer 0.00 0.00 CW2 CW4 C16H16N2O2 non-polymer 0.38 0.10 CW4 CW5 C20Cl2H21N7O3 non-polymer 0.41 0.22 CW5 CW7 C33H50O11 non-polymer 1.00 0.59 CW7 CWA C15F2H14N2O2 non-polymer 0.00 0.00 CWA CWB C18H24N4O1 non-polymer 0.00 0.00 CWB CWC C19H22N4O1 non-polymer 0.20 0.12 CWC CWD C7Cl1H8N3O4 L-peptide linking 0.00 0.00 CWD CWE C15H12O5 non-polymer 0.00 0.00 CWE CWG C13Cl1H13N2O1 non-polymer 0.00 0.00 CWG CWH C27H49N1O8 non-polymer 0.64 0.17 CWH CWJ C10H11N1O1 non-polymer 0.00 0.00 CWJ CWK C19Cl1H18N1O6 non-polymer 1.00 0.44 CWK CWM C8H8N2O1 non-polymer 0.00 0.00 CWM CWN C58H71N20O10S1 non-polymer 0.20 0.03 CWN CWP C13H16N6 non-polymer 0.00 0.00 CWP CWQ C29H37N4O2 non-polymer 0.45 0.20 CWQ CWR C6H8N2O3 L-peptide linking 0.00 0.00 CWR CWS C9H9N3 non-polymer 0.00 0.00 CWS CWT C15H17N3O3 non-polymer 0.36 0.19 CWT CWU C18H16O5 non-polymer 0.00 0.00 CWU CWV B1C15H13N2O2 non-polymer 0.00 0.00 CWV CWW Br1C17H16N7O2 non-polymer 1.00 0.41 CWW CWX C19H23N1O8S1 non-polymer 1.00 0.41 CWX CWY C16H18N2O6 non-polymer 0.00 0.00 CWY CWZ C27H28N4S1 non-polymer 0.00 0.00 CWZ CX1 C33H35N5O7 non-polymer 0.40 0.60 CX1 CX2 C11H19N4O6P1S1 DNA linking 1.00 0.39 CX2 CX3 C19H22N4O2Pt1 non-polymer 0.00 0.00 CX3 CX4 C12Cl1H12N3 non-polymer 0.00 0.00 CX4 CX5 C14H15N3O1 non-polymer 0.00 0.00 CX5 CX6 C13H13N1O4 non-polymer 0.00 0.00 CX6 CX7 C21H34O4 non-polymer 0.60 0.28 CX7 CX8 C19H21N4O2Pt1 non-polymer 0.00 0.00 CX8 CX9 C16H18N8O4 non-polymer 0.00 0.00 CX9 CXA C9H12N2O4S1 non-polymer 0.00 0.00 CXA CXB B1C7H11N4O4S1 non-polymer 0.50 0.41 CXB CXD C18Cl3F1H10N4O2 non-polymer 0.00 0.00 CXD CXE C20H42O6 non-polymer 0.88 0.73 CXE CXF C7H13N1O1 non-polymer 0.00 0.00 CXF CXG C40H55N5O6 non-polymer 0.38 0.12 CXG CXH C8Cl2H7N1O1S1 non-polymer 0.00 0.00 CXH CXJ C8F2H6O3 non-polymer 0.00 0.00 CXJ CXL C6H12O1 non-polymer 0.00 0.00 CXL CXM C6H11N1O4S1 L-peptide linking 0.00 0.00 CXM CXN C19Cl1H18N3O5S1 non-polymer 0.00 0.00 CXN CXO C6H8O2 non-polymer 0.00 0.00 CXO CXP C9H16O2 non-polymer 0.00 0.00 CXP CXQ C21H25N1O1 non-polymer 0.00 0.00 CXQ CXR C15H21N5O13P2 non-polymer 0.00 0.00 CXR CXS C9H19N1O3S1 non-polymer 0.00 0.00 CXS CXT C31H46O18S2 non-polymer 1.00 0.24 CXT CXU C19Cl1H20N3O5S1 non-polymer 0.35 0.28 CXU CXV C19Cl1H20N3O5S1 non-polymer 0.35 0.28 CXV CXW C20H28N4O2 non-polymer 0.00 0.00 CXW CXX C19Cl1H23N2 non-polymer 0.20 0.14 CXX CXY C14H23N3O15P2 non-polymer 1.00 0.59 CXY CXZ C19Cl1H20N3O4 non-polymer 0.00 0.00 CXZ CY0 C20H21N5O3S1 L-peptide linking 0.00 0.00 CY0 CY1 C6H12N2O3S1 L-peptide linking 0.00 0.00 CY1 CY3 C3H8N2O1S1 L-peptide linking 0.00 0.00 CY3 CY4 C7H13N1O3S1 L-peptide linking 0.00 0.00 CY4 CY6 C29H42N4O7 non-polymer 0.75 0.20 CY6 CY7 C33Cl1H36N7O5S1 non-polymer 0.20 0.06 CY7 CY8 C27H41N1O2 non-polymer 0.00 0.00 CY8 CY9 C30H37N1O6 non-polymer 0.00 0.00 CY9 CYA O2 L-peptide linking 0.00 0.00 CYA CYB C32H40N4O6 non-polymer 0.00 0.00 CYB CYC C33H40N4O6 non-polymer 0.00 0.00 CYC CYD C9H16N2O5S1 L-peptide COOH carboxy terminus 0.00 0.00 CYD CYE C45H55N16O8 non-polymer 0.00 0.00 CYE CYF C25H23N3O7S1 L-peptide linking 0.00 0.00 CYF CYG C8H14N2O5S1 L-peptide linking 0.00 0.00 CYG CYH C6H10O1 non-polymer 0.00 0.00 CYH CYI C7H11N1 non-polymer 0.00 0.00 CYI CYJ C16H27N3O6 L-peptide linking 0.00 0.00 CYJ CYK C10H19N1O3S1 non-polymer 0.00 0.00 CYK CYL C7H13N1O4 non-polymer 0.00 0.00 CYL CYM C4H9N1O2S1 L-peptide linking 0.00 0.00 CYM CYN C1N1 non-polymer 0.00 0.00 CYN CYO O3 non-polymer 0.00 0.00 CYO CYP C24H27N3O7S1 non-polymer 0.00 0.00 CYP CYQ C4H10N1O5P1S1 L-peptide linking 0.00 0.00 CYQ CYR C9H19N4O4S1 L-peptide linking 0.44 0.94 CYR CYS C3H7N1O2S1 L-peptide linking 0.00 0.00 CYS CYS_LEO2 C3H5N1O2S1 NA 0.00 0.00 CYS_LEO2 CYS_LEO2H C3H6N1O2S1 NA 0.00 0.00 CYS_LEO2H CYS_LEO2H_DHG C3H5N1O2S1 NA 0.00 0.00 CYS_LEO2H_DHG CYS_LEO2_DHG C3H4N1O2S1 NA 0.00 0.00 CYS_LEO2_DHG CYS_LFOH C3H7N1O2S1 NA 0.00 0.00 CYS_LFOH CYS_LFOH_DHG C3H6N1O2S1 NA 0.00 0.00 CYS_LFOH_DHG CYS_LFZW C3H7N1O2S1 NA 0.00 0.00 CYS_LFZW CYS_LFZW_DHG C3H6N1O2S1 NA 0.00 0.00 CYS_LFZW_DHG CYS_LL C3H5N1O1S1 NA 0.00 0.00 CYS_LL CYS_LL_DHG C3H4N1O1S1 NA 0.00 0.00 CYS_LL_DHG CYS_LSN3 C3H7N1O1S1 NA 0.00 0.00 CYS_LSN3 CYS_LSN3_DHG C3H6N1O1S1 NA 0.00 0.00 CYS_LSN3_DHG CYT C4H5N3O1 non-polymer 0.00 0.00 CYT CYU C50H81N4O15P1 non-polymer 1.00 0.57 CYU CYV C32H54N4O9 non-polymer 0.65 0.69 CYV CYW C6H11N1O4S1 L-peptide linking 0.75 1.00 CYW CYX C5H9O4P1 non-polymer 0.45 0.60 CYX CYY C6H14N2O3 non-polymer 1.00 1.00 CYY CYZ C14Cl1H16N3O4S2 non-polymer 0.00 0.00 CYZ CZ0 C14H9N1O5 non-polymer 0.00 0.00 CZ0 CZ2 As1C3H8N1O4S1 L-peptide linking 0.00 0.00 CZ2 CZ3 C46H60N14O6S2 non-polymer 0.50 0.50 CZ3 CZ4 C27Cl1H38N7O3S1 non-polymer 0.58 0.10 CZ4 CZ5 C17H17N7O2 non-polymer 1.00 0.42 CZ5 CZ6 B1C16H25N4O6S1 non-polymer 0.75 0.25 CZ6 CZ7 B1C16H19N4O7 non-polymer 0.00 0.00 CZ7 CZ8 B1C18H25N4O7 non-polymer 0.00 0.00 CZ8 CZ9 B1C17H23N4O7 non-polymer 0.00 0.00 CZ9 CZA C20H20N2O3 non-polymer 1.00 0.52 CZA CZB Br1C26H22N3O4 non-polymer 0.00 0.00 CZB CZD C47H61N11O7 non-polymer 0.43 0.22 CZD CZE C21Cl1H25N2O3 non-polymer 0.72 0.30 CZE CZG C21H16N4O4S1 non-polymer 0.00 0.00 CZG CZH C26H21N3O5 non-polymer 0.00 0.00 CZH CZI C26H22I1N3O4 non-polymer 0.00 0.00 CZI CZJ C30H38N2O10 non-polymer 1.00 0.62 CZJ CZK C22H31N3O4 non-polymer 0.00 0.00 CZK CZL Fe8H6S9 non-polymer 0.00 0.00 CZL CZM C22H20N2O2 non-polymer 0.00 0.00 CZM CZN C30H25N3O4 non-polymer 0.00 0.00 CZN CZO C15H21N3O6 L-peptide linking 0.00 0.00 CZO CZP C25H27N3O5 non-polymer 0.00 0.00 CZP CZQ C21F2H28N2O5 non-polymer 0.44 0.23 CZQ CZS C10Cl1H9N2O2S1 peptide linking 0.00 0.00 CZS CZT C22H34N2O5 non-polymer 0.50 0.14 CZT CZV C15Cl1F3H11N5 non-polymer 0.00 0.00 CZV CZY C15Cl1F3H13N5 non-polymer 0.00 0.00 CZY CZZ As1C3H7N1O3S1 L-peptide linking 0.00 0.00 CZZ D00 C11H18N3O7P1 DNA linking 1.00 0.41 D00 D01 C20Cl1H17N4O4S2 non-polymer 0.00 0.00 D01 D02 C10F4H6N4O4S1 non-polymer 0.97 0.17 D02 D03 C33H36N4O5 non-polymer 0.37 0.40 D03 D04 C14F4H14N4O2S1 non-polymer 0.00 0.00 D04 D05 C20Cl3H15N4O3 non-polymer 0.00 0.00 D05 D07 C7Cl1H8N5 non-polymer 0.00 0.00 D07 D08 C21H30N2O6 non-polymer 0.56 0.24 D08 D09 C16H16N4O2 non-polymer 1.00 0.64 D09 D0A C17F4H10N6 non-polymer 0.00 0.00 D0A D0B C24H33N3O4 non-polymer 0.00 0.00 D0B D0E C22H29N3O4 non-polymer 0.00 0.00 D0E D0G C17H34O2 non-polymer 0.00 0.00 D0G D0H C23H25N5O2 non-polymer 1.00 0.37 D0H D0J C19H36N4O5 non-polymer 1.00 0.61 D0J D0K C21H22N6O3 non-polymer 1.00 0.37 D0K D0M C5H13N1 non-polymer 0.00 0.00 D0M D0N C12F1H21O10 non-polymer 1.00 0.96 D0N D0O C25H42O5S1 non-polymer 0.00 0.00 D0O D0P C14F2H11N1O2S1 non-polymer 0.00 0.00 D0P D0Q C12H14N2O2 L-peptide linking 0.00 0.00 D0Q D0R C32H45N5O3S1 peptide-like 0.00 0.00 D0R D0S C26H31N7O2S1 non-polymer 0.46 0.31 D0S D0T C29H30N2O7 non-polymer 0.00 0.00 D0T D0U C7H7N1O2S1 non-polymer 0.00 0.00 D0U D0V C26Cl1F1H19N3O2S2 non-polymer 1.00 0.40 D0V D0W C25H33N3O10 non-polymer 0.50 0.42 D0W D0Y C27Cl1F1H19N1O3S2 non-polymer 1.00 0.40 D0Y D0Z C26H40N4O9S1 non-polymer 0.00 0.00 D0Z D10 C10H22 non-polymer 0.00 0.00 D10 D11 C4H10N1O6P1 D-peptide linking 0.67 0.67 D11 D12 C12H26 non-polymer 0.00 0.00 D12 D13 C21H16I1N3O1S1 non-polymer 0.00 0.00 D13 D14 C26Cl1H29N6O3S1 non-polymer 1.00 0.30 D14 D15 C24Cl1H22N5O2 non-polymer 0.00 0.00 D15 D16 C21H22N4O6S1 non-polymer 0.68 0.38 D16 D17 C23H21N3O6S2 non-polymer 0.68 0.35 D17 D18 C24H32N4O1 non-polymer 0.36 0.28 D18 D19 C24H28N4O1 non-polymer 0.00 0.00 D19 D1A C18H17N7O3 non-polymer 0.38 0.07 D1A D1B C19H16N6S1 non-polymer 0.00 0.00 D1B D1C C16F3H19N4O4S2 non-polymer 0.00 0.00 D1C D1D C4H8O2S2 non-polymer 0.00 0.00 D1D D1F C17H24N2O7 non-polymer 1.00 0.46 D1F D1G C12H14N2O1 non-polymer 0.20 0.20 D1G D1H C16H18N8O4 non-polymer 0.00 0.00 D1H D1I C17H24N2O7 non-polymer 1.00 0.46 D1I D1J C15H20N2O7 non-polymer 1.00 0.50 D1J D1K C15H20N2O7 non-polymer 1.00 0.50 D1K D1L C15Cl2H12O4 non-polymer 0.98 0.29 D1L D1M C12H14N2O7 non-polymer 1.00 0.57 D1M D1N C10H8O2 non-polymer 0.00 0.00 D1N D1P C5H11O7P1 DNA linking 1.00 0.69 D1P D1Q C26Cl1H27N4O4S1 non-polymer 0.36 0.11 D1Q D1R C32H40N4O4S1 non-polymer 0.00 0.00 D1R D1S C33H50N4O8 non-polymer 0.20 0.07 D1S D1T C10H22S1 non-polymer 0.00 0.00 D1T D1U C20F3H23N4O2S1 non-polymer 0.00 0.00 D1U D1V C8H6N2O1S1 non-polymer 0.00 0.00 D1V D1W C23H25N3O3 non-polymer 0.20 0.10 D1W D1X C6H5N1O4 non-polymer 1.00 1.00 D1X D1Y C10Cl1H7O5 non-polymer 0.94 0.50 D1Y D1Z C30H36N4O5 non-polymer 0.20 0.08 D1Z D20 C9H20N4O3 non-polymer 0.50 0.94 D20 D21 C37H71O8P1 non-polymer 0.98 0.43 D21 D22 C16H35N1 non-polymer 0.00 0.00 D22 D23 C19F3H19N4 non-polymer 0.39 0.19 D23 D24 C28H28N4O1 non-polymer 0.00 0.00 D24 D25 C12H9N3O1 non-polymer 0.00 0.00 D25 D26 C12H9N3S1 non-polymer 0.00 0.00 D26 D27 C18H17N1O5 non-polymer 0.23 0.33 D27 D28 C17F1H13N2O3S1 non-polymer 0.00 0.00 D28 D29 C13F6H11N1O1S2 non-polymer 0.38 0.17 D29 D2A C21H18N6 non-polymer 0.00 0.00 D2A D2B C18H20N4O2 non-polymer 1.00 0.50 D2B D2C C21Cl1H25N2O7 non-polymer 1.00 0.61 D2C D2D C19H22N4O2 non-polymer 1.00 0.48 D2D D2E C18H18N4O2 non-polymer 1.00 0.50 D2E D2F C19H22N4O2 non-polymer 1.00 0.48 D2F D2G C11H12N2O1 non-polymer 0.00 0.00 D2G D2H C19H22N4O2 non-polymer 1.00 0.48 D2H D2J C22H27N5O4 non-polymer 0.00 0.00 D2J D2K C22H27N5O4 non-polymer 0.75 0.29 D2K D2M C16H18O6 non-polymer 0.00 0.00 D2M D2N C24H31N5O4 non-polymer 0.65 0.21 D2N D2O C24H25N5O2 non-polymer 0.00 0.00 D2O D2P C3Cl2H6O1 non-polymer 0.00 0.00 D2P D2Q C23H29N5O4 non-polymer 0.65 0.22 D2Q D2R C22H23N5O3 non-polymer 0.00 0.07 D2R D2S C12H10O4S2 non-polymer 0.00 0.00 D2S D2T C5H9N1O4S1 L-peptide linking 0.84 0.82 D2T D2U C36H35N3O4 non-polymer 0.50 0.37 D2U D2V C28H44O1 non-polymer 0.38 0.28 D2V D2W C26H29N3O5 non-polymer 0.50 0.15 D2W D2X C12H18N3O8P2S1 non-polymer 0.00 0.00 D2X D2Z C20H25N2O4 non-polymer 0.50 0.19 D2Z D3 C21H22N3O7P1 DNA linking 1.00 0.28 D3 D30 C31F3H29O5S1 non-polymer 0.50 0.07 D30 D31 C24H31N5O2 non-polymer 0.00 0.00 D31 D32 C27F3H23O5S1 non-polymer 0.50 0.08 D32 D33 C8H13N2O6P1 DNA linking 1.00 0.53 D33 D34 C26H32N4O1 non-polymer 0.00 0.00 D34 D35 C30H40N4O1 non-polymer 0.00 0.00 D35 D36 C20H28N8O2S1 non-polymer 0.00 0.00 D36 D37 C18H23N7O2S1 non-polymer 0.00 0.00 D37 D38 C22H31N5O5 non-polymer 0.00 0.00 D38 D39 C40H76N1O10P1 non-polymer 0.98 0.54 D39 D3A C29Cl1H31N2O6 non-polymer 0.00 0.00 D3A D3B C15H17N3O4S1 non-polymer 0.00 0.00 D3B D3C C19F6H20N4O1 non-polymer 0.00 0.00 D3C D3D C40H77O10P1 non-polymer 1.00 0.53 D3D D3E C24F3H27N2O2 non-polymer 0.33 0.23 D3E D3F C14Cl2F3H7N2O6S1 non-polymer 0.00 0.00 D3F D3G C10H10N2O1 non-polymer 0.00 0.00 D3G D3H C8H11N3O1 non-polymer 0.00 0.00 D3H D3J C26Cl1F1H18N2O3S2 non-polymer 1.00 0.40 D3J D3K C20H25N1O2 non-polymer 0.75 0.22 D3K D3L C16H13N1O2 non-polymer 0.00 0.00 D3L D3M C8Cl2H6O3 non-polymer 0.00 0.00 D3M D3N C16H17N2O7P1 DNA linking 1.00 0.35 D3N D3O D3O1 non-polymer 0.00 0.00 D3O D3P C8H9N1O4 D-peptide linking 0.00 0.00 D3P D3Q C18H21N1O1 non-polymer 0.00 0.00 D3Q D3S C23Cl1H17O4S1 non-polymer 1.00 0.48 D3S D3T C10H17N2O13P3 DNA OH 3 prime terminus 1.00 0.32 D3T D3V C27H44O3 non-polymer 0.25 0.17 D3V D3W C18H21N1O1 non-polymer 0.00 0.00 D3W D3X C17H26N2O11S1 non-polymer 1.00 0.61 D3X D3Y C19H23N7O5 non-polymer 1.00 0.32 D3Y D3Z C9H12N2O5 non-polymer 1.00 0.56 D3Z D41 C16H18N6O1 non-polymer 0.38 0.09 D41 D42 C21H23N7O2S1 non-polymer 0.00 0.00 D42 D44 C16H16N4O1S1 non-polymer 0.00 0.00 D44 D45 C18H22N4O4S2 non-polymer 0.00 0.00 D45 D46 C20Cl1H19N4O2S2 non-polymer 0.00 0.00 D46 D47 C26Cl1F1H19N3O2S2 non-polymer 1.00 0.40 D47 D48 C10H8O2 non-polymer 0.00 0.00 D48 D49 C32H26N4O7 non-polymer 0.88 0.16 D49 D4A C26Cl1F1H18N2O3S2 non-polymer 1.00 0.40 D4A D4B C19H18N3O7P1 DNA linking 1.00 0.30 D4B D4D C10H14N2O10P2 non-polymer 1.00 0.38 D4D D4G C10H8N2S2 non-polymer 0.00 0.00 D4G D4H C18H21N1 non-polymer 0.00 0.00 D4H D4J C26Cl1F1H18N2O3S2 non-polymer 1.00 0.40 D4J D4K C18H21N1O1 non-polymer 0.00 0.00 D4K D4L C25H29N7O1 non-polymer 0.00 0.00 D4L D4M C10H13N2O7P1 DNA linking 1.00 0.45 D4M D4N C19F3H26N3O4S1 non-polymer 0.33 0.23 D4N D4P C8H9N1O3 L-peptide linking 0.00 0.00 D4P D4Q C19F1H19N4O1S1 non-polymer 0.00 0.00 D4Q D4S C21Cl1H16N1O3S2 non-polymer 1.00 0.50 D4S D4T C10H15N2O13P3 non-polymer 1.00 0.32 D4T D4V C6H7N1O1 non-polymer 0.00 0.00 D4V D4W C15Cl1H11N2O2 non-polymer 0.00 0.00 D4W D4Y C8F1H6N1O2 non-polymer 0.00 0.00 D4Y D4Z C20H22N4O1 non-polymer 0.00 0.00 D4Z D50 C23H30N2O5 non-polymer 0.50 0.30 D50 D51 C37H48N10O15P2 non-polymer 1.00 0.34 D51 D52 C42H50N10O15P2 non-polymer 1.00 0.32 D52 D53 C9H13N1O3S1 non-polymer 0.00 0.00 D53 D54 C6H8O6 non-polymer 0.97 1.00 D54 D55 C21H28N2O4 non-polymer 0.00 0.00 D55 D56 C24Cl1H32N3O3 non-polymer 0.00 0.00 D56 D57 C22H22N2O6 non-polymer 0.97 0.27 D57 D58 C20H22N4O1S1 non-polymer 0.00 0.00 D58 D59 C14Cl2H10N2O3 non-polymer 0.00 0.00 D59 D5B C16H18N2 non-polymer 0.00 0.00 D5B D5C C24F6H20N2O1 non-polymer 0.00 0.00 D5C D5E C12H25N3O7 non-polymer 1.00 1.00 D5E D5G C17H25N3O3S1 non-polymer 0.00 0.00 D5G D5H C20F1H18N1O4 non-polymer 0.00 0.00 D5H D5I C17H21N3O2 non-polymer 0.00 0.00 D5I D5M C10H14N5O6P1 non-polymer 1.00 0.41 D5M D5N C22F2H29N3O4 non-polymer 0.00 0.00 D5N D5Q C29F1H26N5O3S1 non-polymer 0.00 0.00 D5Q D5T C30H38N4O6 non-polymer 0.00 0.00 D5T D5W C22Cl2H28N6O2 non-polymer 0.20 0.09 D5W D5X C5H11O8P1 non-polymer 0.99 0.71 D5X D5Z C29H32N6O3 non-polymer 0.00 0.00 D5Z D61 C36H41N1O7 non-polymer 0.95 0.39 D61 D62 C27H30N6O3S1 non-polymer 0.00 0.00 D62 D63 C21H17N5O1 non-polymer 0.00 0.00 D63 D64 C15H14N4 non-polymer 0.00 0.00 D64 D65 C14F7H12N5S1 non-polymer 0.38 0.07 D65 D66 C17H26N2O5 non-polymer 0.50 0.38 D66 D67 C15F5H12N5 non-polymer 0.38 0.08 D67 D68 C30F4H34N4O6 non-polymer 0.00 0.00 D68 D69 C43H52N10O15P2 non-polymer 1.00 0.31 D69 D6E C12H20N2O7 non-polymer 0.68 0.90 D6E D6G C6H13O8P1 saccharide 1.00 0.73 D6G D6I C21H23N7O1 non-polymer 0.50 0.21 D6I D6J C29H35N5O4S1 non-polymer 0.00 0.00 D6J D6K C7H14O3 non-polymer 0.00 0.00 D6K D6M C21H39N1O5 non-polymer 0.68 0.37 D6M D6N C1Fe7N1S7V1 non-polymer 0.00 0.00 D6N D6P C7H15O7P1 non-polymer 0.83 0.67 D6P D6Q C23F5H19N6O3 non-polymer 0.00 0.00 D6Q D6T C46H50N6O7 non-polymer 0.88 0.25 D6T D6W C24H26N6O3 non-polymer 0.00 0.00 D6W D6X C18H18N6 non-polymer 0.00 0.00 D6X D6Z Br1C23F3H20N6O3 non-polymer 0.00 0.00 D6Z D70 C38H50N10O15P2 non-polymer 1.00 0.38 D70 D71 C19H13N5O4 non-polymer 0.00 0.00 D71 D72 C15Cl2F3H13O4 non-polymer 0.56 0.21 D72 D73 C37H46N10O15P2 non-polymer 1.00 0.38 D73 D75 C21H18O10 non-polymer 1.00 0.42 D75 D76 C23Cl1H24N5O4S2 non-polymer 0.00 0.00 D76 D77 C29H21N1O11 non-polymer 0.69 0.32 D77 D78 C32F3H36N3O7S1 non-polymer 0.00 0.00 D78 D79 C18H16N8O1 non-polymer 0.00 0.00 D79 D7A C17H20N2O5S1 non-polymer 0.00 0.00 D7A D7B C26H31N3O2 non-polymer 0.00 0.00 D7B D7C C19H19N7O1 non-polymer 0.00 0.00 D7C D7D C14H21N5O2S1 non-polymer 0.00 0.00 D7D D7E C18Cl1F3H17N3O2S1 non-polymer 0.00 0.00 D7E D7G C25H37N3O7 non-polymer 0.88 0.69 D7G D7H C26H27N5O3 non-polymer 0.00 0.00 D7H D7J C26H38N4O3S1 non-polymer 0.56 0.26 D7J D7K C20H28N4O11P3S1 non-polymer 0.00 0.00 D7K D7M C21H34N4O3S1 non-polymer 0.56 0.17 D7M D7N C20F3H24N3O2 non-polymer 0.00 0.00 D7N D7P C15H25N7O4 non-polymer 0.00 0.00 D7P D7Q C21H22N2O3 non-polymer 0.00 0.00 D7Q D7S C27H42O3 non-polymer 0.65 0.23 D7S D7T C18H20N2O1 non-polymer 0.00 0.00 D7T D7V C19H21N1O1 non-polymer 0.20 0.14 D7V D7W C11Cl1H11N4O2 non-polymer 0.00 0.00 D7W D7Y C19H32N4O3S1 non-polymer 0.56 0.33 D7Y D7Z C6Cl2H12N2Pt1 non-polymer 0.00 0.00 D7Z D80 C14H15N3O1 non-polymer 0.00 0.00 D80 D81 C29H42N4O2S1 non-polymer 0.56 0.14 D81 D83 C22H19N5 non-polymer 0.00 0.00 D83 D86 C6H14N3 non-polymer 0.00 0.00 D86 D87 C15H16N2O1 non-polymer 0.00 0.00 D87 D88 C26Cl2H29N5O3 non-polymer 0.00 0.00 D88 D8B C15H13N1O1 non-polymer 0.00 0.12 D8B D8E C26F1H34N5O6 non-polymer 0.00 0.00 D8E D8G C17F1H14N3O1S1 non-polymer 0.00 0.00 D8G D8H C17H24N4O1 non-polymer 0.56 0.23 D8H D8I C10H15N1O4S1 non-polymer 0.00 0.00 D8I D8K C27F1H33N6O7 non-polymer 0.00 0.00 D8K D8N C11H12N2O2 non-polymer 0.00 0.00 D8N D8Q C9H13N3O2 non-polymer 0.00 0.00 D8Q D8S C13H8O2S1 non-polymer 0.00 0.00 D8S D8T C5H10O6 non-polymer 0.99 1.00 D8T D8W C8H8N4O4S3 non-polymer 0.00 0.00 D8W D8X C8H17O8P1 non-polymer 0.78 0.76 D8X D8Y C13Cl1H13N2 non-polymer 0.00 0.00 D8Y D8Z C16H26O5 non-polymer 1.00 0.71 D8Z D90 C23Cl1H20N5O2S1 non-polymer 0.00 0.00 D90 D91 C26Cl1H27N6O3S1 non-polymer 0.00 0.00 D91 D92 C23Cl1H26N5O2S1 non-polymer 0.00 0.00 D92 D93 C23Cl1H26N5O2S1 non-polymer 0.00 0.00 D93 D94 C30H31N7 non-polymer 0.00 0.00 D94 D95 C19H28O8 non-polymer 1.00 0.81 D95 D96 C19H19N5O6 non-polymer 0.68 0.40 D96 D98 C21H18N6O1 non-polymer 0.00 0.00 D98 D99 C28Cl2H34N2O5 non-polymer 0.38 0.05 D99 D9A C28Cl1H33N2O9 non-polymer 0.86 0.32 D9A D9B C18H20N4O4 non-polymer 0.20 0.12 D9B D9G C16H33N1O2 non-polymer 0.64 0.32 D9G D9H C11Cl1H13N6O3S1 non-polymer 0.00 0.00 D9H D9K C11H16N2O2S1 non-polymer 0.00 0.00 D9K D9N C28H26N2O6S2 non-polymer 0.97 0.11 D9N D9P C26H26N2O2 non-polymer 0.00 0.00 D9P D9Q C13H19N3O2 non-polymer 0.00 0.00 D9Q D9T C14H21N3O2 non-polymer 0.00 0.00 D9T D9W Br1C17H17N4O2 non-polymer 0.00 0.00 D9W D9Z C8Cl1H6N3O2S2 non-polymer 0.00 0.00 D9Z DA C10H14N5O6P1 DNA linking 1.00 0.41 DA DA1 C5H7N3 non-polymer 0.00 0.00 DA1 DA2 C8H18N4O2 L-peptide linking 0.43 0.71 DA2 DA3 C7H10N2O5 non-polymer 0.00 0.00 DA3 DA4 C8H7N1O2S1 non-polymer 0.00 0.00 DA4 DA5 Br1C18H21N4O1 non-polymer 0.45 0.29 DA5 DA6 Br1C18H21N4O1 non-polymer 0.45 0.29 DA6 DA7 C18F1H19N4O1 non-polymer 0.45 0.29 DA7 DA8 C20H38O9 non-polymer 1.00 0.72 DA8 DA9 C4H8N4O1S1 non-polymer 0.00 0.00 DA9 DAA Al1C10F3H19N2O4 non-polymer 0.00 0.00 DAA DAB C4H10N2O2 L-peptide linking 0.00 0.00 DAB DAC C14H25N1O2S1 non-polymer 0.40 0.33 DAC DAD C10H16N5O11P3 non-polymer 0.00 0.00 DAD DAE Be1C8F3H10N3O11P2 non-polymer 0.00 0.00 DAE DAF C13H17N1O8 D-saccharide 1.00 0.50 DAF DAG C6H13N1O4 D-saccharide 1.00 1.00 DAG DAH C9H11N1O4 L-peptide linking 0.00 0.00 DAH DAI C24H25N1O3 non-polymer 0.00 0.00 DAI DAJ C13H16N3O2 non-polymer 0.00 0.00 DAJ DAK C32H47N8O17P3S1 non-polymer 1.00 0.44 DAK DAL C3H7N1O2 D-peptide linking 0.64 1.00 DAL DAM C4H7N1O2 peptide linking 0.93 0.86 DAM DAN C11H17N1O8 non-polymer 1.00 1.00 DAN DAO C12H24O2 non-polymer 0.00 0.00 DAO DAP C16H15N5 non-polymer 0.00 0.00 DAP DAQ Be1C9F3H12N3O11P2 non-polymer 0.00 0.00 DAQ DAR C6H15N4O2 D-peptide linking 0.43 0.83 DAR DAS C4H7N1O4 D-peptide linking 0.86 1.00 DAS DAT C10H15N5O9P2 non-polymer 1.00 0.35 DAT DAU C16H26N2O16P2 non-polymer 1.00 0.81 DAU DAV C5H12N1O2 non-polymer 0.00 0.00 DAV DAW C21H24N6O4S2 non-polymer 0.00 0.00 DAW DAX Br1C18H21N4O1 non-polymer 0.45 0.29 DAX DAY C30H36N2O4 non-polymer 0.55 0.22 DAY DAZ H4N2Zn1 non-polymer 0.00 0.00 DAZ DB0 C19H17N1O1 non-polymer 0.36 0.19 DB0 DB1 C7H7N1O3 non-polymer 0.00 0.00 DB1 DB3 C44H83N1O9 non-polymer 1.00 0.56 DB3 DB4 C17H32O16P2 non-polymer 1.00 0.74 DB4 DB5 C9H13N3O3 non-polymer 0.00 0.00 DB5 DB6 C44H83N1O9 non-polymer 1.00 0.56 DB6 DB7 C16H22O4 non-polymer 0.62 0.60 DB7 DB8 C26Cl2H29N5O3 non-polymer 0.00 0.00 DB8 DB9 C21H18N6 non-polymer 0.00 0.00 DB9 DBA C10H12O3 non-polymer 0.00 0.00 DBA DBB C4H9N1O2 D-peptide linking 0.61 1.00 DBB DBC C5H10O3S2 non-polymer 0.00 0.00 DBC DBD C18H14N2O9S2 non-polymer 1.00 0.45 DBD DBE C13H10O3 non-polymer 0.00 0.00 DBE DBF C14H8O5 non-polymer 0.00 0.00 DBF DBG C23H27N8O13P3 non-polymer 1.00 0.21 DBG DBH C7H6O4 non-polymer 0.00 0.00 DBH DBI C14H19N2O7P1 non-polymer 1.00 0.42 DBI DBJ C9H10O3 non-polymer 0.00 0.00 DBJ DBK C34H52O10 non-polymer 1.00 0.50 DBK DBM C12H16N4O4 RNA linking 1.00 0.55 DBM DBN C23H20N6S1 non-polymer 0.00 0.00 DBN DBO C33H32N2O3 non-polymer 0.00 0.00 DBO DBP C7H10N2 non-polymer 0.00 0.00 DBP DBQ C11H11N5O2 non-polymer 0.00 0.00 DBQ DBR C27H37N3O3S1 non-polymer 0.20 0.09 DBR DBS C10H11N1O6 L-peptide linking 0.86 0.53 DBS DBT C14H17N1O3S1 non-polymer 0.00 0.00 DBT DBU C4H7N1O2 peptide linking 0.93 1.00 DBU DBV C33H36N4O6 non-polymer 0.38 0.09 DBV DBW C18H15N1O4 non-polymer 0.00 0.00 DBW DBX C6H6O5S1 non-polymer 0.00 0.00 DBX DBY Br2C9H9N1O3 L-peptide linking 0.00 0.00 DBY DBZ C10H12N2O3 L-peptide linking 0.50 0.60 DBZ DC C9H14N3O7P1 DNA linking 1.00 0.45 DC DC0 C15H24N2O2 peptide-like 0.00 0.00 DC0 DC2 C7Cl2H11N1O3S1 L-peptide linking 0.59 0.64 DC2 DC3 C19F3H19N4 non-polymer 0.00 0.00 DC3 DC4 C12Cl1H7O1 non-polymer 0.00 0.00 DC4 DC5 C12Cl2H8 non-polymer 0.00 0.00 DC5 DC8 C18F2H16O3 non-polymer 0.00 0.00 DC8 DCA C21H36N7O16P3 non-polymer 1.00 0.49 DCA DCB C18F1H23N2O14 non-polymer 1.00 0.63 DCB DCC C33H58N7O17P3S1 non-polymer 1.00 0.38 DCC DCD C5H11N1S2 non-polymer 0.36 0.75 DCD DCE C2Cl2H4 non-polymer 0.00 0.00 DCE DCF C11H16N4O4 non-polymer 1.00 0.47 DCF DCG C10H14N5O7P1 DNA linking 1.00 0.39 DCG DCH C26H31N3O3 non-polymer 0.50 0.25 DCH DCI C5H13N1 non-polymer 0.00 0.00 DCI DCJ C14H18N5O5 non-polymer 1.00 0.79 DCJ DCK C7H16N1O3 non-polymer 0.73 0.82 DCK DCL C6H15N1O1 peptide-like 0.00 0.00 DCL DCM C9H14N3O7P1 non-polymer 1.00 0.45 DCM DCN C12Cl2H8O2 non-polymer 0.00 0.00 DCN DCO C4Cl2H5O5P1 non-polymer 0.93 0.33 DCO DCP C9H16N3O13P3 non-polymer 1.00 0.32 DCP DCQ C19H30O4 non-polymer 0.00 0.00 DCQ DCR C20H40O2 non-polymer 0.00 0.00 DCR DCS C11H16N3O7P1 non-polymer 0.00 0.00 DCS DCT C9H16N3O12P3 DNA linking 0.00 0.00 DCT DCU C32H44N4 non-polymer 0.20 0.08 DCU DCV C11Cl2H14N1O5P1 non-polymer 0.00 0.00 DCV DCW C13H24N2O1 non-polymer 0.00 0.00 DCW DCX C12H27O1P1 non-polymer 0.25 0.21 DCX DCY C3H7N1O2S1 D-peptide linking 0.00 0.00 DCY DCZ C9H13N3O4 DNA OH 5 prime terminus 1.00 0.56 DCZ DD1 C21F1H24N5O1 non-polymer 0.00 0.00 DD1 DD2 C21Cl2H23N5O1 non-polymer 0.00 0.00 DD2 DD3 C16Cl1H15N4O1 non-polymer 0.00 0.00 DD3 DD5 C22F2H29N3O4 non-polymer 0.00 0.00 DD5 DD6 C40H54O3 non-polymer 1.00 0.49 DD6 DD8 C21H20N4O2 non-polymer 0.00 0.00 DD8 DD9 C9H20 non-polymer 0.00 0.00 DD9 DDA C6H12O4 D-saccharide 1.00 1.00 DDA DDB C7H14O4 D-saccharide 1.00 1.00 DDB DDC C15H12O3 non-polymer 0.00 0.00 DDC DDD C12H17N3O6S1 non-polymer 0.00 0.00 DDD DDE C13H24N5O3 L-peptide linking 0.20 0.14 DDE DDF C21H25N5O6 non-polymer 0.68 0.38 DDF DDG C10H14N5O6P1 DNA linking 0.00 0.00 DDG DDH C34Fe1H32N4O6 non-polymer 0.62 0.13 DDH DDI C31H31N1O7 non-polymer 1.00 0.31 DDI DDJ C14H16N2O2 non-polymer 0.00 0.00 DDJ DDK C8H17N1O2Se1 non-polymer 0.00 0.00 DDK DDL C6H12O4 D-saccharide 1.00 1.00 DDL DDM C6H13N1O4 non-polymer 1.00 1.00 DDM DDN C9H15N2O8P1 DNA linking 1.00 0.45 DDN DDO C6H13N1O3 non-polymer 0.00 0.00 DDO DDP C4H6N4O2 non-polymer 1.00 0.90 DDP DDQ C12H27N1O1 non-polymer 0.20 0.21 DDQ DDR C23H44O5 non-polymer 1.00 0.50 DDR DDS C10H16N5O11P3 non-polymer 0.00 0.00 DDS DDT C33H33N3O7S2 non-polymer 0.20 0.07 DDT DDU C9H12N2O4 non-polymer 0.00 0.00 DDU DDW C8H17N1O2S1 non-polymer 0.00 0.00 DDW DDX C5H9O6P1 DNA linking 0.00 0.00 DDX DDY C9H15N3O9P2 non-polymer 0.00 0.00 DDY DDZ C3H7N1O4 L-peptide linking 0.81 1.00 DDZ DE1 C10H22O1 non-polymer 0.00 0.00 DE1 DE2 C4H8O3 non-polymer 0.88 1.00 DE2 DE3 C12H17N1O1 non-polymer 0.50 0.50 DE3 DE4 C18H22N3O3 non-polymer 0.00 0.00 DE4 DE5 C5H7N3O1S1 non-polymer 0.00 0.00 DE5 DE7 C12H18N3O3 non-polymer 0.00 0.00 DE7 DE9 C30H30N4O4 non-polymer 0.00 0.00 DE9 DEA C9H11N5O4 non-polymer 0.88 0.50 DEA DEB C21H38O6 non-polymer 0.00 0.00 DEB DEC C10H18O4 non-polymer 0.00 0.00 DEC DED C4H13N1O7P2 non-polymer 0.50 0.36 DED DEE C8H12N2O2 non-polymer 0.75 0.42 DEE DEF C27Fe1H49N6O11S1 non-polymer 0.00 0.00 DEF DEG C10H20O6 non-polymer 1.00 0.75 DEG DEH C19H18N1O4 non-polymer 0.00 0.00 DEH DEI C4H6O3S1 non-polymer 0.95 0.75 DEI DEJ C28H39N5O3S1 non-polymer 0.56 0.24 DEJ DEL C12H22O10 saccharide 1.00 1.00 DEL DEM C11H24O2 non-polymer 0.00 0.00 DEM DEN C9H8 non-polymer 0.00 0.00 DEN DEO C28H25N1O6 non-polymer 0.58 0.26 DEO DEP C4H11O3P1 non-polymer 0.62 0.88 DEP DEQ C30H40N4 non-polymer 0.00 0.00 DEQ DER C4H9O8P1 non-polymer 1.00 0.69 DER DES C18H20O2 non-polymer 0.00 0.10 DES DET C13H29N1O1 non-polymer 0.20 0.20 DET DEU C30Co1H28N4O4 non-polymer 0.00 0.00 DEU DEV C29H36N4O3S1 non-polymer 0.56 0.14 DEV DEW C9H12N2O1S1 non-polymer 0.00 0.00 DEW DEX C22F1H29O5 non-polymer 0.55 0.29 DEX DEY C23H25N5O6S2 non-polymer 0.57 0.17 DEY DEZ C4H9O8P1 non-polymer 1.00 0.69 DEZ DF0 C14F1H11O2 non-polymer 0.00 0.00 DF0 DF1 C21H20N4O1 non-polymer 0.00 0.00 DF1 DF2 C21H20N4O2 non-polymer 0.00 0.00 DF2 DF3 C28F3H24N3O4S1 non-polymer 0.00 0.00 DF3 DF4 C11F1H16N1O8 non-polymer 1.00 0.95 DF4 DF5 C17H15N2O4S1 non-polymer 0.00 0.00 DF5 DF6 C26H23N3O4S1 non-polymer 0.00 0.00 DF6 DF7 C20H23N4O3 non-polymer 0.00 0.00 DF7 DF8 C10H15N7O4 non-polymer 1.00 0.48 DF8 DF9 C19H23N5O1S1 non-polymer 0.00 0.00 DF9 DFA C14H12O2 non-polymer 0.00 0.00 DFA DFB C7F2H6O1 non-polymer 0.00 0.00 DFB DFC C9H14N3O7P1 DNA linking 1.00 0.45 DFC DFD C11H22O2 non-polymer 0.00 0.00 DFD DFE C4F5H5O1 non-polymer 0.44 0.50 DFE DFF C16H15N1O3 D-peptide linking 0.00 0.00 DFF DFG C10H14N5O7P1 DNA linking 1.00 0.39 DFG DFH C14H14O1 non-polymer 0.00 0.00 DFH DFI C8F2H15N1O3 L-peptide linking 0.93 0.29 DFI DFJ C28F4H29N3O9P2 non-polymer 0.00 0.00 DFJ DFK C21H34N6O3 non-polymer 0.00 0.00 DFK DFL C15H12O3 non-polymer 0.00 0.00 DFL DFM C21F2H24N3O6P1 non-polymer 0.00 0.00 DFM DFN C22F1H20N3O4 non-polymer 0.00 0.00 DFN DFO C8F2H15N1O4 L-peptide linking 0.93 0.27 DFO DFP C6H15O3P1 non-polymer 0.58 0.80 DFP DFQ C21Cl2F1H17N2O2 non-polymer 0.50 0.14 DFQ DFR C7H14O5 D-saccharide 1.00 1.00 DFR DFS C16F2H15N5O3S1 non-polymer 0.00 0.00 DFS DFT C12F2H15O6P1 DNA linking 0.00 0.00 DFT DFU C6H13N1O3 non-polymer 1.00 1.00 DFU DFV C15H12O4 non-polymer 0.00 0.00 DFV DFW C20H15N3O3 non-polymer 0.00 0.00 DFW DFX C5F1H9O3 saccharide 1.00 0.89 DFX DFY C21H19N3O2 non-polymer 0.43 0.19 DFY DFZ C20H18N4O1 non-polymer 0.00 0.00 DFZ DG C10H14N5O7P1 DNA linking 1.00 0.39 DG DG0 C12H18O13 saccharide 1.00 1.00 DG0 DG1 C27H33N8O18P3 non-polymer 1.00 0.41 DG1 DG2 C3H8O10P2 non-polymer 0.85 0.47 DG2 DG3 C10H16N5O12P3 non-polymer 0.00 0.00 DG3 DG6 C6H15O8P1 non-polymer 1.00 0.73 DG6 DG7 C26H30N6O2S1 non-polymer 0.38 0.29 DG7 DG8 C26H23N6O7P1 DNA linking 1.00 0.22 DG8 DG9 C27H46N9O11P1S2 non-polymer 1.00 0.40 DG9 DGA C39H76O5 non-polymer 1.00 0.32 DGA DGB C24H29N3O2 non-polymer 0.23 0.28 DGB DGC C6H8O6 D-saccharide 1.00 1.00 DGC DGD C51H96O15 saccharide 1.00 0.55 DGD DGF C12H17N1O5S1 non-polymer 0.55 0.42 DGF DGG C39H75O10P1 non-polymer 1.00 0.42 DGG DGH C8H9N1O3 D-peptide linking 0.00 0.00 DGH DGI C10H15N5O10P2 DNA linking 1.00 0.33 DGI DGJ C6H13N1O4 non-polymer 1.00 1.00 DGJ DGL C5H9N1O4 D-peptide linking 0.68 1.00 DGL DGM C6H11O5 D-saccharide 1.00 1.00 DGM DGN C5H10N2O3 D-peptide linking 0.00 0.00 DGN DGO C6H10O4 non-polymer 1.00 1.00 DGO DGP C10H14N5O7P1 non-polymer 1.00 0.39 DGP DGQ B10C15H31N3O8 non-polymer 0.68 0.53 DGQ DGR C10H9N3O4 non-polymer 0.60 0.65 DGR DGS C6H10O8S1 D-saccharide 1.00 0.73 DGS DGT C10H16N5O13P3 non-polymer 1.00 0.29 DGT DGU C6H10O7 non-polymer 0.99 1.00 DGU DGV C26Cl2H33N3O1 non-polymer 0.00 0.00 DGV DGW C24Cl2H29N1O1 non-polymer 0.00 0.00 DGW DGX C41H64O14 non-polymer 1.00 0.51 DGX DGY C3H6O4 non-polymer 0.97 1.00 DGY DGZ C57H67N7O10 non-polymer 0.67 0.26 DGZ DH1 C17H22N4O4 non-polymer 0.00 0.00 DH1 DH2 C15H12O7 non-polymer 0.00 0.00 DH2 DH3 C19H22N4O4 non-polymer 0.00 0.07 DH3 DH4 C15H25N3O3S1 non-polymer 0.00 0.00 DH4 DH5 Br1C19H19N4O4S1 non-polymer 1.00 0.34 DH5 DH6 C9H9N1O1 non-polymer 0.23 0.73 DH6 DH7 C30H46 non-polymer 0.38 0.87 DH7 DH8 C27H34N2O8 non-polymer 1.00 0.38 DH8 DH9 C29H55N1O6 non-polymer 0.56 0.58 DH9 DHA C3H5N1O2 peptide linking 0.93 1.00 DHA DHB C7H6O4 non-polymer 0.00 0.00 DHB DHC C9H8O4 non-polymer 0.44 0.46 DHC DHD C5H4O6 non-polymer 0.94 1.00 DHD DHE C34Fe1H32N4O10 non-polymer 0.00 0.00 DHE DHF C19H21N7O6 non-polymer 0.68 0.38 DHF DHG C20H42N1O6P1 non-polymer 0.73 0.36 DHG DHH C7H15N1O4 non-polymer 0.00 0.00 DHH DHI C6H10N3O2 D-peptide linking 0.00 0.00 DHI DHJ C7H11O7P1 non-polymer 0.00 0.00 DHJ DHK C7H10O5 non-polymer 0.00 0.00 DHK DHL C2H7N1S1 L-peptide linking 0.00 0.00 DHL DHM C10H20O1 non-polymer 0.55 1.00 DHM DHN C5H11N1O3 L-peptide linking 0.68 1.00 DHN DHO C24H40O4 non-polymer 0.00 0.00 DHO DHP C14H23N1O3 L-peptide linking 1.00 0.56 DHP DHQ C10H11N1O1 non-polymer 0.00 0.00 DHQ DHR C8H7N1O2 non-polymer 0.27 0.64 DHR DHS C7H10N1O4 non-polymer 0.00 0.00 DHS DHT C19H30O2 non-polymer 0.00 0.00 DHT DHU C9H15N2O9P1 RNA linking 1.00 0.48 DHU DHV C5H11N1O3 D-peptide linking 0.68 1.00 DHV DHY C8H8O4 non-polymer 0.00 0.00 DHY DHZ C9H14N2O5 non-polymer 1.00 0.62 DHZ DI C10H13N4O7P1 DNA linking 1.00 0.41 DI DI0 C42H78N2O14 non-polymer 1.00 0.47 DI0 DI1 C30F3H31N4O3 non-polymer 0.00 0.00 DI1 DI2 B1C21H33N4O5 non-polymer 0.00 0.00 DI2 DI3 B1C22H34N5O5 non-polymer 0.00 0.00 DI3 DI4 B1C22H35N4O5 non-polymer 0.00 0.00 DI4 DI5 B1C20H31N4O5 non-polymer 0.00 0.00 DI5 DI6 C6H8N2O4 non-polymer 0.00 0.00 DI6 DI7 C11H15N1O3 L-peptide linking 0.00 0.00 DI7 DI8 C10H11N1O2 L-peptide linking 0.00 0.00 DI8 DI9 C10H20N1O3P1 non-polymer 0.00 0.00 DI9 DIA C8H20N2 non-polymer 0.00 0.00 DIA DIB C5H14N2 non-polymer 0.20 0.43 DIB DIC C9Cl2H4O2 non-polymer 0.00 0.00 DIC DID C20H26N4O2 non-polymer 0.00 0.00 DID DIE C10H14O1 non-polymer 0.00 0.00 DIE DIF C14Cl2H11N1O2 non-polymer 0.00 0.00 DIF DIG C6H13N1O4 saccharide 1.00 1.00 DIG DIH C12H17N4O3 non-polymer 0.00 0.00 DIH DII C7H17O3P1 non-polymer 0.58 0.73 DII DIK C18H23N1O4 non-polymer 0.44 0.35 DIK DIL C6H13N1O2 D-peptide linking 0.58 1.00 DIL DIM C14H20N9O3 non-polymer 0.33 0.23 DIM DIN C10H8O2 non-polymer 0.00 0.00 DIN DIO C4H8O2 non-polymer 0.00 0.00 DIO DIP C10H23N1 non-polymer 0.00 0.00 DIP DIQ C11H19N1O2 non-polymer 0.00 0.00 DIQ DIR C4H10N4O3 L-peptide linking 0.40 0.73 DIR DIS H2O1 non-polymer 0.00 0.00 DIS DIT C46H50N6O2 non-polymer 0.00 0.00 DIT DIU C7H4I2O3 non-polymer 0.00 0.00 DIU DIV C5H11N1O2 D-peptide linking 0.93 0.75 DIV DIW C26H29N2O3S1 non-polymer 0.25 0.06 DIW DIX C9H19N1 non-polymer 0.00 0.00 DIX DIY C9H19N1 non-polymer 0.00 0.00 DIY DIZ C23Cl2H15I1N2O4 non-polymer 0.00 0.00 DIZ DJ1 C30H41N5O3S1 non-polymer 0.56 0.13 DJ1 DJ2 C10H14N6O4 non-polymer 1.00 0.50 DJ2 DJ3 C20H30O3 non-polymer 0.38 0.65 DJ3 DJ4 C19F3H21N3O3 non-polymer 0.00 0.00 DJ4 DJ6 C10Cl2H6N2O1S1 non-polymer 0.00 0.00 DJ6 DJ9 C23H20N4O3 non-polymer 0.00 0.00 DJ9 DJB C10H15N1O8 non-polymer 1.00 0.84 DJB DJE C8H13N1O7 non-polymer 1.00 1.00 DJE DJF B1C20H24N5O10P1 RNA linking 1.00 0.41 DJF DJH C25F3H24N5O3 non-polymer 0.00 0.00 DJH DJJ C10Cl1H17N3O12P3 non-polymer 1.00 0.31 DJJ DJK Br1C17H13N4O1 non-polymer 0.38 0.22 DJK DJL C15Cl1F1H16N1O1 non-polymer 0.00 0.00 DJL DJN C8H16N2O4 non-polymer 1.00 0.79 DJN DJP C4F1H3N2O1 non-polymer 0.00 0.00 DJP DJQ C27H27N7O3 non-polymer 0.00 0.00 DJQ DJR C28H38N2O8S1 non-polymer 0.00 0.00 DJR DJS C24H34N4O4S1 non-polymer 1.00 0.30 DJS DJT C25Cl1F1H25N3O4S1 non-polymer 0.00 0.00 DJT DJV C22F2H32N2O3 non-polymer 0.00 0.00 DJV DJW C27F3H27N6O4 non-polymer 0.00 0.00 DJW DJY C28H27N5O5 non-polymer 0.38 0.05 DJY DJZ C26H29N5O3S1 non-polymer 0.00 0.00 DJZ DK1 C10Cl2H5N1O3 non-polymer 0.00 0.00 DK1 DK2 C18H13N1O7 non-polymer 0.00 0.00 DK2 DK3 C13H26O3 non-polymer 0.62 0.38 DK3 DK4 C10F2H12N2O6 non-polymer 1.00 0.90 DK4 DK5 C17F1H18N3O5 non-polymer 1.00 0.38 DK5 DK7 C22F2H32N2O4 non-polymer 0.00 0.00 DK7 DKA C10H20O2 non-polymer 0.00 0.00 DKA DKD C23H22O3 non-polymer 0.00 0.00 DKD DKE C59Cl1H64N6O15 non-polymer 0.00 0.00 DKE DKG C5H6N2 non-polymer 0.00 0.00 DKG DKH C76H120N18O27S2 non-polymer 0.88 0.46 DKH DKI C15F2H13N7O2S2 non-polymer 0.00 0.00 DKI DKJ C21F2H32N2O4 non-polymer 0.55 0.21 DKJ DKK C19F3H20N7O2 non-polymer 0.38 0.19 DKK DKM C20F1H21N4O4S1 non-polymer 0.20 0.10 DKM DKN C40H46N2O12 non-polymer 0.90 0.52 DKN DKP C18Cl1H17N2O3 non-polymer 0.58 0.17 DKP DKQ C7Cl1H7N2 non-polymer 0.00 0.00 DKQ DKS C22Cl1F2H22N3O3 non-polymer 0.00 0.00 DKS DKT C38H57N7O10 non-polymer 0.53 0.67 DKT DKV C22Cl1F2H21N2O3 non-polymer 0.00 0.00 DKV DKW C13H14N6O4 non-polymer 1.00 0.48 DKW DKX C10F1H13N2O6 non-polymer 1.00 0.58 DKX DKY C17F1H18N3O6 non-polymer 1.00 0.41 DKY DKZ C10F1H14N3O5 non-polymer 1.00 0.58 DKZ DL1 C20H21N5O3 non-polymer 0.00 0.00 DL1 DL2 C18Cl1H17N2O4 non-polymer 0.00 0.00 DL2 DL3 C30Cl1H39N6O4S2 non-polymer 0.00 0.00 DL3 DL4 C27H42O3 non-polymer 0.65 0.23 DL4 DL5 C17H19N8O18P3 non-polymer 1.00 0.22 DL5 DL6 C8H14N4O6 non-polymer 1.00 0.89 DL6 DL7 C27H42O3 non-polymer 0.65 0.23 DL7 DL8 C16H20N4O6 non-polymer 1.00 0.62 DL8 DLA C3H6O3 non-polymer 1.00 1.00 DLA DLB C25Cl1H28N1O5 non-polymer 0.00 0.00 DLB DLC C35H51N1O4 non-polymer 0.25 0.05 DLC DLD C18H31N5O11 non-polymer 1.00 0.85 DLD DLE C6H13N1O2 D-peptide linking 0.00 0.00 DLE DLF C6H12O4 L-saccharide 1.00 1.00 DLF DLG C12H24O5 saccharide 1.00 0.65 DLG DLH C19Cl1H18N1O3 non-polymer 0.00 0.00 DLH DLI C21F3H19N4O2S1 non-polymer 0.00 0.00 DLI DLJ C22Cl1H24N3O3 non-polymer 0.00 0.00 DLJ DLK C21H21N1O3 non-polymer 0.38 0.08 DLK DLL C18H20N5O8P1 non-polymer 1.00 0.50 DLL DLM C15H11O7 non-polymer 0.00 0.00 DLM DLN C16H15N5O1 non-polymer 0.36 0.18 DLN DLP C44H80N1O8P1 non-polymer 0.98 0.74 DLP DLR C17H15N3O1S1 non-polymer 0.00 0.00 DLR DLS C10H18N2O4 L-peptide linking 0.58 0.62 DLS DLT C8F1H17N1O2 non-polymer 0.20 0.25 DLT DLU C20F2H19N3O5 non-polymer 1.00 0.47 DLU DLW C22H23N1O3 non-polymer 0.38 0.08 DLW DLY C6H14N2O2 D-peptide linking 0.00 0.00 DLY DLZ C13H18N4O6 non-polymer 0.97 0.43 DLZ DM0 C10H22N2O2 L-peptide linking 0.59 0.57 DM0 DM1 C27H29N1O10 non-polymer 1.00 0.26 DM1 DM2 C27H29N1O11 non-polymer 1.00 0.46 DM2 DM3 C27H29N1O9 non-polymer 1.00 0.27 DM3 DM4 C26H27N1O10 non-polymer 1.00 0.49 DM4 DM5 C26H27N1O9 non-polymer 1.00 0.28 DM5 DM6 C27H30N1O11 non-polymer 1.00 0.46 DM6 DM7 C27H29I1N1O10 non-polymer 0.70 0.21 DM7 DM8 Br1C27H28N1O10 non-polymer 1.00 0.26 DM8 DM9 C31H39N1O12 non-polymer 1.00 0.32 DM9 DMA C5H12O7P2 non-polymer 0.62 0.43 DMA DMB C15H14N2O3 non-polymer 0.00 0.00 DMB DMC C14H19N1O3 non-polymer 0.93 0.39 DMC DMD C9H10N2 non-polymer 0.00 0.00 DMD DME C16H38N2 non-polymer 0.20 0.17 DME DMF C3H7N1O1 non-polymer 0.60 0.80 DMF DMG C4H9N1O2 non-polymer 0.71 0.86 DMG DMH C6H12N2O3 L-peptide linking 0.54 0.91 DMH DMI C5H9N2 non-polymer 0.00 0.00 DMI DMJ C6H13N1O4 non-polymer 1.00 1.00 DMJ DMK C6H11N1O4 L-peptide linking 0.93 1.00 DMK DML C2H6 non-polymer 0.00 0.00 DML DMM C32H37N1O13 non-polymer 1.00 0.39 DMM DMN C2H7N1 non-polymer 0.00 0.00 DMN DMO C6F2H12N2O2 non-polymer 0.93 0.33 DMO DMP C35H38N2O5 non-polymer 0.00 0.00 DMP DMQ C33H36N4O3 non-polymer 0.00 0.00 DMQ DMR C4H6O5 non-polymer 0.88 1.00 DMR DMS C2H6O1S1 non-polymer 0.00 0.00 DMS DMT C11H21N1O3 L-peptide linking 0.59 1.00 DMT DMU C22H42O11 D-saccharide 1.00 0.70 DMU DMV C6H12O4 non-polymer 0.83 1.00 DMV DMW C12H10O2 non-polymer 0.00 0.00 DMW DMX C12H19N1O3S1 non-polymer 0.20 0.18 DMX DMY C22H27N9O4 non-polymer 0.33 0.17 DMY DMZ C17H17N3O2S1 non-polymer 0.00 0.00 DMZ DN C5H11O6P1 DNA linking 0.00 0.00 DN DN1 C26F2H31N3O7S1 non-polymer 0.00 0.00 DN1 DN2 C26F2H31N3O7S1 non-polymer 0.00 0.00 DN2 DN3 C17H18N6O1 non-polymer 0.20 0.12 DN3 DN4 C21H27N6O18P3 non-polymer 1.00 0.48 DN4 DN5 C22Cl2H23N1O3 non-polymer 0.00 0.00 DN5 DN6 C15F3H10N5O1 non-polymer 0.00 0.00 DN6 DN7 C12H9N1O3 non-polymer 0.00 0.00 DN7 DN8 Br1C14H10N5O1 non-polymer 0.00 0.00 DN8 DNA C11H8O4 non-polymer 0.00 0.00 DNA DNB C11H17N3O3 non-polymer 1.00 0.71 DNB DNC C6H4N2O6 non-polymer 0.00 0.00 DNC DND C21H27N6O15P2 non-polymer 1.00 0.52 DND DNE C6H13N1O2 D-peptide linking 0.00 0.00 DNE DNF C6H4N2O5 non-polymer 0.00 0.00 DNF DNG C7H13N1O3 D-peptide linking 0.59 0.82 DNG DNH C6H14N2 non-polymer 0.00 0.00 DNH DNJ C6H13N1O4 non-polymer 1.00 1.00 DNJ DNK C22H25N1O3 non-polymer 0.00 0.00 DNK DNL C6H13N1O1 L-peptide linking 0.00 0.00 DNL DNM C7H15N1O2 D-peptide linking 0.59 0.80 DNM DNN C9H20N2O2 non-polymer 0.00 0.00 DNN DNO C6H12O6 D-saccharide 1.00 1.00 DNO DNP C3H9N2O2 L-peptide linking 0.00 0.00 DNP DNQ C8H2N4O6 non-polymer 0.00 0.00 DNQ DNR C9H15N3O7P1 DNA linking 1.00 0.45 DNR DNS C18H25N3O4S1 L-peptide linking 0.20 0.12 DNS DNT C13H18N2O5 non-polymer 0.00 0.00 DNT DNV C21Cl1H19N4O3 non-polymer 0.00 0.00 DNV DNW C9H10N4O6 L-peptide linking 0.00 0.00 DNW DNX C6H4N2O5 non-polymer 0.00 0.00 DNX DNY C23Cl1H26N3O3 non-polymer 0.00 0.00 DNY DNZ C21Cl1H23N2O3 non-polymer 0.00 0.00 DNZ DO1 C22Cl1H24N3O3 non-polymer 0.00 0.00 DO1 DO2 C6H11N1O5 L-peptide linking 0.73 1.00 DO2 DO3 C17H32N4O7 non-polymer 0.00 0.00 DO3 DO4 C5H6O4 non-polymer 0.70 1.00 DO4 DO5 C21Cl1H22N1O4 non-polymer 0.00 0.00 DO5 DO8 C8H15O11P1 non-polymer 1.00 0.80 DO8 DOA C12H25N1O2 L-peptide linking 0.00 0.00 DOA DOB C7H6O4 non-polymer 0.00 0.00 DOB DOC C9H14N3O6P1 DNA linking 0.00 0.00 DOC DOD D2O1 non-polymer 0.00 0.00 DOD DOE C27H41N5O10S1 non-polymer 0.00 0.00 DOE DOF C23H33N5O10 non-polymer 0.00 0.00 DOF DOG C23H34O5 non-polymer 0.00 0.00 DOG DOH C4H7N1O5 L-peptide linking 0.75 1.00 DOH DOI C10H14N4O10P2 non-polymer 1.00 0.35 DOI DOJ C22F3H26N3O3 non-polymer 0.00 0.00 DOJ DOK C22Cl1H24N1O3 non-polymer 0.00 0.00 DOK DOL C34H50N4O9S1 non-polymer 0.00 0.00 DOL DOM C12H22O10 D-saccharide 1.00 1.00 DOM DON C6H11N3O3 L-peptide linking 0.00 0.00 DON DOO C22F1H23N8O1 non-polymer 0.00 0.00 DOO DOQ C15H21N1O6 non-polymer 0.62 0.36 DOQ DOR C5H6N2O4 non-polymer 1.00 1.00 DOR DOS C23H19N6Os1 non-polymer 0.00 0.00 DOS DOT C17H21N6O13P3 non-polymer 1.00 0.23 DOT DOV C21F1H37N6O1 non-polymer 0.00 0.00 DOV DOW C20H36N5O11P1 non-polymer 1.00 0.59 DOW DOX C4H8O2 non-polymer 0.00 0.00 DOX DOY C17H15N1O3S1 non-polymer 0.00 0.00 DOY DOZ C2H7N1O1Zn1 non-polymer 0.00 0.00 DOZ DP C10H14N5O7P1 DNA linking 1.00 0.39 DP DP0 C21H29N3O1 non-polymer 0.36 0.28 DP0 DP1 C10H22N8O4 non-polymer 0.00 0.00 DP1 DP2 C12H28N8O4 non-polymer 0.00 0.00 DP2 DP3 C8H21N7O2 non-polymer 0.00 0.00 DP3 DP4 C14H23N1O1Si1 non-polymer 0.00 0.00 DP4 DP5 C18H32O12S4 saccharide 1.00 0.88 DP5 DP6 C6H14O10P2 non-polymer 0.79 0.56 DP6 DP7 B1C21H33N6O5 non-polymer 0.00 0.00 DP7 DP8 C16H19N1O2 non-polymer 0.50 0.26 DP8 DP9 C11H22N8O4 non-polymer 0.00 0.00 DP9 DPA C13H15N1O5 non-polymer 0.58 0.37 DPA DPB C17H19N2O8P1 DNA linking 1.00 0.32 DPB DPC C20H27N3O5 non-polymer 1.00 0.61 DPC DPD C34H48N2O2 non-polymer 0.00 0.00 DPD DPE C12H27O2P1 non-polymer 0.00 0.00 DPE DPF C4H11O4P1 non-polymer 0.62 0.78 DPF DPG C46H96O11P2 non-polymer 1.00 0.32 DPG DPH C10H12O2 non-polymer 0.55 0.58 DPH DPJ C4H11O3P1S1 non-polymer 0.62 0.78 DPJ DPK C13H19N1 non-polymer 0.43 0.64 DPK DPL C5H7N1O3 L-peptide linking 0.00 0.00 DPL DPM C20H24N2O8 non-polymer 0.00 0.00 DPM DPN C9H11N1O2 D-peptide linking 0.00 0.00 DPN DPO O7P2 non-polymer 0.00 0.00 DPO DPP C3H8N2O2 L-peptide linking 0.00 0.00 DPP DPQ C9H11N1O4 L-peptide linking 0.00 0.00 DPQ DPR C5H9N1O2 D-peptide linking 0.00 0.00 DPR DPS C28H29N3O4S1 non-polymer 0.00 0.00 DPS DPT C14H12N2 non-polymer 0.00 0.00 DPT DPU C10H21N2O7P1 non-polymer 0.00 0.00 DPU DPV C17H38N1O4P1 non-polymer 0.64 0.39 DPV DPW C15H34N1O4P1 non-polymer 0.64 0.43 DPW DPX C11H20N4O8P2S1 non-polymer 0.67 0.27 DPX DPY C12H14N1O10P1 DNA linking 1.00 0.62 DPY DPZ C8H8N4O2 non-polymer 0.00 0.00 DPZ DQ1 C22H27N5O4 non-polymer 0.75 0.29 DQ1 DQ2 C15H23N10O4S1 non-polymer 1.00 0.33 DQ2 DQ5 C23H26N4O2 non-polymer 0.00 0.00 DQ5 DQ6 C24H25N1O2 non-polymer 0.00 0.00 DQ6 DQ7 C24H25N1O2 non-polymer 0.00 0.00 DQ7 DQ8 C23H23N1O1S1 non-polymer 0.62 0.12 DQ8 DQA C7H10O6 non-polymer 0.00 0.00 DQA DQB C20H21N5O4 non-polymer 0.00 0.00 DQB DQD C24F3H28N3O3 non-polymer 0.00 0.00 DQD DQG C22Cl1H24N3O3 non-polymer 0.00 0.00 DQG DQH C15H12O7 non-polymer 0.00 0.00 DQH DQJ C15H22N4O2 non-polymer 0.00 0.00 DQJ DQK C20H24N2O4S1 non-polymer 0.00 0.00 DQK DQM C15H26N4O7S2 non-polymer 0.58 0.36 DQM DQN C10H12O2 non-polymer 0.00 0.00 DQN DQO C24Cl2F2H20N4O1 non-polymer 0.00 0.00 DQO DQP Br5C16Cl1H9N1O4 non-polymer 0.00 0.00 DQP DQQ C6H13N1O4 D-saccharide 1.00 1.00 DQQ DQR C18H32O16 D-saccharide 1.00 1.00 DQR DQS C17H20N6O1 non-polymer 0.39 0.21 DQS DQT C23H27N1O7 non-polymer 1.00 0.61 DQT DQU C8H8N4O1 non-polymer 0.00 0.00 DQU DQV C22H28N6O14P2 non-polymer 1.00 0.57 DQV DQW C6H14O3 non-polymer 0.75 1.00 DQW DQX C27F2H28N6O1 non-polymer 0.00 0.00 DQX DQY C5H12O2S1 non-polymer 0.00 0.00 DQY DQZ Br1C9H9O2 non-polymer 0.00 0.00 DQZ DR0 C9H22N1O1 non-polymer 0.20 0.27 DR0 DR1 C16H12N2 non-polymer 0.00 0.00 DR1 DR2 C20H35N1O15 saccharide 1.00 1.00 DR2 DR3 C20H35N1O15 saccharide 1.00 1.00 DR3 DR4 C16H30O8 saccharide 1.00 0.75 DR4 DR5 C13H24O11 non-polymer 1.00 0.96 DR5 DR6 C74H142O31 non-polymer 0.88 0.93 DR6 DR7 C38H52N6O7 non-polymer 0.50 0.65 DR7 DR8 C10H12N1 non-polymer 0.38 0.18 DR8 DR9 C40H75O10P1 non-polymer 1.00 0.65 DR9 DRA C40H51N1O14 non-polymer 1.00 0.35 DRA DRB C50H57N7O1Ru1 non-polymer 0.00 0.00 DRB DRC C20H22N4O2 non-polymer 0.00 0.00 DRC DRD C35H35N1O5 non-polymer 0.81 0.17 DRD DRE C12H29N3 non-polymer 0.00 0.00 DRE DRF C25H25N1O5 non-polymer 0.62 0.29 DRF DRG C12H11N3 non-polymer 0.00 0.00 DRG DRH C27H36N2O4 non-polymer 0.75 0.24 DRH DRI C7H14O4 D-saccharide 1.00 0.91 DRI DRJ C27H36N2O4 non-polymer 0.75 0.24 DRJ DRK C20H19N3O4 non-polymer 0.81 0.26 DRK DRL C8H10N2O1S1 non-polymer 0.00 0.00 DRL DRM C10H15N2O6P1 DNA linking 0.00 0.00 DRM DRN C25H23N5O2S1 non-polymer 0.00 0.00 DRN DRO C34Cl1H30N5O2 non-polymer 0.00 0.00 DRO DRP C10H14N1O6P1 DNA linking 0.00 0.00 DRP DRQ C22H30O2 non-polymer 0.44 0.17 DRQ DRR C37H51N5O7 non-polymer 0.00 0.00 DRR DRS C19H26N2O5 non-polymer 0.00 0.00 DRS DRT C10H15N2O8P1 DNA linking 1.00 0.81 DRT DRU C23H19N6Ru1 non-polymer 0.00 0.00 DRU DRV C12H17N7O7S1 non-polymer 1.00 0.37 DRV DRW C15H26N4O6S2 non-polymer 0.50 0.33 DRW DRX C20Cl1H15N1O4P1S1 non-polymer 0.00 0.00 DRX DRY C33H31N1O5 non-polymer 0.00 0.00 DRY DRZ C5H11O7P1 DNA linking 1.00 0.69 DRZ DS0 C3H7N2O5P1 non-polymer 0.00 0.00 DS0 DS1 C4H5N3O1 non-polymer 0.00 0.00 DS1 DS2 C27H38O5 non-polymer 0.67 0.16 DS2 DS3 C30H44O5 non-polymer 0.67 0.14 DS3 DS4 C32F7H31O3 non-polymer 0.25 0.14 DS4 DS5 C29F6H32O5 non-polymer 0.85 0.22 DS5 DS6 C31H46O5 non-polymer 0.85 0.36 DS6 DS7 C8H11N1O2 non-polymer 0.00 0.00 DS7 DS8 C13H24O7 non-polymer 1.00 0.60 DS8 DSA C25H25N3O7 non-polymer 0.97 0.11 DSA DSB C10H14O6 non-polymer 0.00 0.00 DSB DSC C12H25O3S1 non-polymer 0.00 0.00 DSC DSD C10H20N2O4 non-polymer 0.00 0.00 DSD DSE C4H9N1O3 D-peptide linking 0.84 0.88 DSE DSF C3F6H2O1 non-polymer 0.00 0.00 DSF DSG C4H8N2O3 D-peptide linking 0.00 0.00 DSG DSH C13H20N6O3S1 non-polymer 1.00 0.39 DSH DSI C22H19N3O4 non-polymer 0.97 0.14 DSI DSK C12H25O9S1 non-polymer 1.00 1.00 DSK DSL C50H83O4P1 non-polymer 0.62 0.93 DSL DSM C18H22N2 non-polymer 0.00 0.00 DSM DSN C3H7N1O3 D-peptide linking 0.84 1.00 DSN DSO C31H45N3O3S1 non-polymer 0.20 0.08 DSO DSP C4H7N1O4 D-peptide linking 0.86 1.00 DSP DSQ C13H24O8 non-polymer 1.00 1.00 DSQ DSR C6H12O3S1 D-saccharide 1.00 0.90 DSR DSS C3H8O1S2 non-polymer 0.00 0.00 DSS DST C5H14O6P2S1 non-polymer 0.00 0.00 DST DSU C22H40O12 non-polymer 1.00 0.76 DSU DSV C17H17N1O4S2 non-polymer 0.59 0.33 DSV DSX C23H31N3O4S2 non-polymer 0.00 0.00 DSX DSY C12H13N1O3S1 non-polymer 0.20 0.18 DSY DSZ C14H19N7O9S1 non-polymer 1.00 0.65 DSZ DT C10H15N2O8P1 DNA linking 1.00 0.81 DT DT1 C18H22N6O3S1 non-polymer 0.00 0.00 DT1 DT2 C17H21N7O2S1 non-polymer 0.00 0.00 DT2 DT3 C4H9O5S2 non-polymer 0.75 0.55 DT3 DT4 C17H22N8O2S1 non-polymer 0.00 0.00 DT4 DT5 C17H20N6O3S1 non-polymer 0.00 0.00 DT5 DT6 C10H18N2O6 D-saccharide 1.00 1.00 DT6 DT7 C11H16N2O4S1 non-polymer 0.00 0.00 DT7 DT8 C26Cl1H31N6O3S1 non-polymer 1.00 0.30 DT8 DT9 C12H18N2O4S1 non-polymer 0.00 0.00 DT9 DTA C20H24N10O6S2 non-polymer 1.00 0.47 DTA DTB C10H18N2O3 non-polymer 0.00 0.00 DTB DTC C19H12O6 non-polymer 0.00 0.00 DTC DTD C4H8O2S2 non-polymer 0.00 0.00 DTD DTE C11Cl1H11N2O2 non-polymer 0.00 0.00 DTE DTF C37H45N4O7P1 non-polymer 0.00 0.00 DTF DTG C6H12O2 non-polymer 0.58 0.62 DTG DTH C4H9N1O3 D-peptide linking 0.72 1.00 DTH DTI C5H8N1S1 non-polymer 0.00 0.00 DTI DTJ C33H36N6O5 non-polymer 0.38 0.05 DTJ DTK C14H26O8 non-polymer 1.00 0.95 DTK DTL C4H10O4 non-polymer 0.97 1.00 DTL DTM C18H22N6O3 non-polymer 0.00 0.00 DTM DTN O4S2 non-polymer 0.00 0.00 DTN DTO C4H10O3S2 non-polymer 0.75 0.67 DTO DTP C10H16N5O12P3 non-polymer 1.00 0.30 DTP DTQ C16H15N3O3 non-polymer 0.00 0.00 DTQ DTR C11H12N2O2 D-peptide linking 0.00 0.00 DTR DTS C14H12O3S1 non-polymer 0.00 0.00 DTS DTT C4H10O2S2 non-polymer 0.75 0.75 DTT DTU C4H10O2S2 non-polymer 0.75 0.75 DTU DTV C4H10O2S2 non-polymer 0.75 0.75 DTV DTW C14H21N10O4S1 non-polymer 1.00 0.34 DTW DTX C23H34O4 non-polymer 0.00 0.00 DTX DTY C9H11N1O3 D-peptide linking 0.00 0.00 DTY DTZ H2S2Zn1 non-polymer 0.00 0.00 DTZ DU C9H13N2O8P1 DNA linking 1.00 0.45 DU DU1 C24F1H30N5O5S1 non-polymer 0.00 0.00 DU1 DU2 C20H23N5O4 non-polymer 0.00 0.00 DU2 DU3 C22H23N3O4 non-polymer 0.00 0.00 DU3 DU4 C23H25N3O4 non-polymer 0.00 0.00 DU4 DU5 C23H26N4O1 non-polymer 0.00 0.00 DU5 DU7 C5Cl1H6N3 non-polymer 0.00 0.00 DU7 DU8 C13H16N8O5S1 non-polymer 1.00 0.37 DU8 DUA C28H27N3O4 non-polymer 0.00 0.00 DUA DUB C6Cl2H4O1 non-polymer 0.00 0.00 DUB DUC C4H6N2O2 non-polymer 0.00 0.00 DUC DUD C9H14N2O11P2 non-polymer 1.00 0.38 DUD DUE C26H28N6O6S2 non-polymer 0.55 0.22 DUE DUG C8Cl1F1H6O2 non-polymer 0.00 0.00 DUG DUH C20F4H11N3O2 non-polymer 0.00 0.00 DUH DUK C14Cl1H12N5O2S1 non-polymer 0.00 0.00 DUK DUL C13H13N1O1S2 non-polymer 0.00 0.00 DUL DUN C9H15N3O10P2 non-polymer 1.00 0.38 DUN DUO C26H27N3O8 non-polymer 0.45 0.22 DUO DUP C9H16N3O13P3 non-polymer 1.00 0.32 DUP DUQ C30H31N3O5 non-polymer 0.56 0.32 DUQ DUR C9H12N2O5 non-polymer 1.00 0.56 DUR DUS C9H12N2O8S1 non-polymer 1.00 0.45 DUS DUT C9H15N2O14P3 non-polymer 1.00 0.32 DUT DUV C8H10O3 non-polymer 0.65 0.73 DUV DUW C10H10O3 non-polymer 0.55 0.62 DUW DUX C28F1H25N2O4 non-polymer 1.00 0.23 DUX DUY Br1C29H40N3O6 non-polymer 0.56 0.13 DUY DUZ C17H20N3O9P1 DNA linking 1.00 0.63 DUZ DV1 C10H16N2O4S1 non-polymer 1.00 1.00 DV1 DV2 C21H26N4O3S2 non-polymer 0.00 0.00 DV2 DV3 C5H11O5P1S1 non-polymer 0.00 0.00 DV3 DV4 C22H28N8O4 non-polymer 0.00 0.00 DV4 DV5 C21H26N4O3S2 non-polymer 0.41 0.23 DV5 DV7 C13H13N1O5 L-peptide linking 0.00 0.00 DV7 DV8 C21H26N4O2S3 non-polymer 0.41 0.23 DV8 DVA C5H11N1O2 D-peptide linking 0.59 1.00 DVA DVC C7H15N1O4 saccharide 1.00 1.00 DVC DVD C27H25N7O3S1 non-polymer 0.00 0.00 DVD DVE C30H50O1 non-polymer 0.25 0.06 DVE DVG C3H10O8V2 non-polymer 0.00 0.00 DVG DVH C8H14O2 non-polymer 0.40 0.50 DVH DVJ C28H27N7O3S1 non-polymer 0.00 0.00 DVJ DVK C10H23N3O1 non-polymer 0.00 0.00 DVK DVM C21H39N5O8 non-polymer 1.00 0.62 DVM DVN C15H24N5O17P3 non-polymer 1.00 0.57 DVN DVP C21H24N8O3 non-polymer 0.60 0.22 DVP DVQ C8H18N2O2 non-polymer 0.00 0.00 DVQ DVR C16H15N3O6S1 non-polymer 0.93 0.15 DVR DVT O28V10 non-polymer 0.00 0.00 DVT DVW C27H31N7O5Pt1 non-polymer 1.00 0.28 DVW DVZ C12H15N8O5S1 non-polymer 1.00 0.38 DVZ DW0 C17H20N8O4 non-polymer 0.00 0.00 DW0 DW1 C23H13N3O4Ru1 non-polymer 0.00 0.00 DW1 DW2 C23H13N3O4Ru1 non-polymer 0.00 0.00 DW2 DW4 C29H41N7O6 non-polymer 0.00 0.00 DW4 DW5 C17H15N2Pt1 non-polymer 0.00 0.00 DW5 DW7 C30H43N7O6 non-polymer 0.00 0.00 DW7 DW8 C27H38N3O10P1 non-polymer 0.88 0.37 DW8 DWA C21F1H18N3O2 non-polymer 0.00 0.00 DWA DWB C22Cl1F1H16N2O3 non-polymer 0.00 0.00 DWB DWC C23H9N3O4Os1 non-polymer 0.00 0.00 DWC DWD C23H22N4O3 non-polymer 0.56 0.17 DWD DWE C50H66N6O20P2 non-polymer 0.88 0.38 DWE DWF C29F2H25N5O5S1 non-polymer 0.00 0.00 DWF DWG C26H24N4O1 non-polymer 0.00 0.00 DWG DWH C12Cl1H13N6O4S1 non-polymer 0.64 0.25 DWH DWJ C26H23N3O2 non-polymer 0.00 0.00 DWJ DWK C40H48N4O15P2 non-polymer 0.88 0.31 DWK DWM C28F1H28N5O3 non-polymer 0.00 0.00 DWM DWN C16H25N3O13P2 non-polymer 1.00 0.79 DWN DWP C21H22N4O1 non-polymer 0.00 0.00 DWP DWQ C59H84N6O22P2 non-polymer 0.88 0.53 DWQ DWS C27H24N4O3 non-polymer 0.00 0.00 DWS DWT C26F3H20N7O1 non-polymer 0.00 0.00 DWT DWV C15Cl2H15N3O1S1 non-polymer 0.00 0.00 DWV DWW B1C21Cl2H20N3O3S1 non-polymer 0.00 0.00 DWW DWX B1C21Cl2H20N3O3S1 non-polymer 0.00 0.00 DWX DWY B1C21Cl2H20N3O3S1 non-polymer 0.00 0.00 DWY DWZ C17H27N3O5S1 non-polymer 0.50 0.35 DWZ DX C10H13N4O8P1 DNA linking 1.00 0.39 DX DX1 C12H18N6 non-polymer 0.00 0.00 DX1 DX2 C12H11N7 non-polymer 0.00 0.00 DX2 DX3 C9H14N6 non-polymer 0.00 0.00 DX3 DX4 C5H5N5S1 non-polymer 0.00 0.00 DX4 DX5 C5H13O8P1 non-polymer 1.00 0.71 DX5 DX6 C14H14N4O1 non-polymer 0.00 0.00 DX6 DX7 C13H9N5O1 non-polymer 0.00 0.00 DX7 DX8 C14H11N5O2 non-polymer 0.00 0.00 DX8 DX9 C26H28N4O3 non-polymer 0.00 0.00 DX9 DXA C24H30O7 non-polymer 0.95 0.42 DXA DXB C21H24O7 non-polymer 0.95 0.46 DXB DXC C24H40O4 non-polymer 0.00 0.00 DXC DXD C6H13O6P1 DNA linking 1.00 0.69 DXD DXE C4H10O2 non-polymer 0.75 0.83 DXE DXF C16H18N4O8S1 non-polymer 0.50 0.55 DXF DXG C6H8O7 non-polymer 0.97 1.00 DXG DXH C26F3H20N7O1 non-polymer 0.00 0.00 DXH DXI C18H32O16 non-polymer 1.00 1.00 DXI DXJ C13H20O1 non-polymer 0.62 0.79 DXJ DXK C11H10N6 non-polymer 0.00 0.00 DXK DXL C5H8O7 non-polymer 0.97 1.00 DXL DXM C25F2H24N6O2S1 non-polymer 0.00 0.00 DXM DXN C6H13O6P1 DNA linking 1.00 0.69 DXN DXO C16H21N5S1 non-polymer 0.00 0.00 DXO DXP C5H11O7P1 non-polymer 1.00 0.69 DXP DXQ C26H43N7O2 non-polymer 0.50 0.17 DXQ DXR Br1C16H18N5 non-polymer 0.39 0.23 DXR DXS C33Cl1H33N4O5S1 non-polymer 0.20 0.07 DXS DXT C22H24N2O8 non-polymer 0.20 0.09 DXT DXU C19Cl2H25N3O5S1 non-polymer 0.00 0.00 DXU DXV C25H22N2O2 non-polymer 0.00 0.00 DXV DXW C18H26N4O2 non-polymer 0.00 0.00 DXW DXX C4H6O4 non-polymer 0.97 1.00 DXX DXY C21H27N5O6S1 non-polymer 1.00 0.70 DXY DXZ C21H27N5O6S1 non-polymer 1.00 0.70 DXZ DY Dy1 non-polymer 0.00 0.00 DY DY1 C24F4H23N1O4S1 non-polymer 0.00 0.00 DY1 DY2 C23F3H17N2O3 non-polymer 0.00 0.00 DY2 DY4 C24F2H22N6O2S1 non-polymer 0.00 0.00 DY4 DY5 C11F3H8N1O4 non-polymer 0.00 0.00 DY5 DY6 C23H20N2O5S1 non-polymer 0.00 0.00 DY6 DY7 Br2C11H11N4 non-polymer 0.00 0.00 DY7 DY8 C10H17N3O3 non-polymer 0.00 0.00 DY8 DYA C4H5N1O4 L-peptide linking 0.95 1.00 DYA DYB B1C6H15N1O3 non-polymer 0.00 0.00 DYB DYD C6H14O2 non-polymer 0.00 0.00 DYD DYG C15H15N3O6 L-peptide linking 0.00 0.00 DYG DYH C12H20N2O7 non-polymer 1.00 0.52 DYH DYJ C10H13N1O5 L-peptide linking 0.93 0.50 DYJ DYK C24H26N6O2 non-polymer 0.00 0.00 DYK DYL C5H9N1O2 D-peptide linking 0.50 1.00 DYL DYM C11H17N1O8 non-polymer 1.00 1.00 DYM DYN C30H47N10O17P3 non-polymer 1.00 0.45 DYN DYP C22H28N8O1 non-polymer 0.00 0.00 DYP DYS C11H16N2O4S1 L-peptide linking 0.00 0.00 DYS DYT C6Cl1H7N2O2 non-polymer 0.00 0.00 DYT DYV C29Cl1H24N5O6 non-polymer 0.00 0.00 DYV DYW C9H14N2O5 non-polymer 0.00 0.00 DYW DYY C18F2H18N2O6S2 non-polymer 0.00 0.00 DYY DYZ C14H14N4O2 non-polymer 0.00 0.00 DYZ DZ C10H14N3O9P1 DNA linking 1.00 0.52 DZ DZ0 C23H25N1O2 non-polymer 0.00 0.00 DZ0 DZ1 Br2C15H13N1O2 non-polymer 0.00 0.00 DZ1 DZ2 Br2C13Cl2H7N1O2 non-polymer 0.00 0.00 DZ2 DZ3 Br2C15H13N1O3 non-polymer 0.00 0.00 DZ3 DZ4 C10H17N6O11P3 non-polymer 1.00 0.30 DZ4 DZ5 C9F1H7O2S1 non-polymer 0.93 0.31 DZ5 DZ7 C24H27N1O3 non-polymer 0.00 0.00 DZ7 DZ8 C19F1H22I1N6O2 non-polymer 0.36 0.14 DZ8 DZ9 C18F1H12N3O1S2 non-polymer 0.00 0.00 DZ9 DZA C6H12N2O3 non-polymer 0.58 0.91 DZA DZB C17H15N3O2S1 non-polymer 0.00 0.00 DZB DZD C24H33N7O11P2 non-polymer 1.00 0.41 DZD DZE C11H19N1O5 non-polymer 0.62 0.88 DZE DZF C20H20N6O6 non-polymer 0.68 0.38 DZF DZG C19H22N2O7S2 non-polymer 0.00 0.00 DZG DZH C25H26N6O5S1 non-polymer 0.00 0.00 DZH DZJ C17Cl1H11N2O2S1 non-polymer 0.00 0.00 DZJ DZK C11H12O4S1 non-polymer 0.96 0.50 DZK DZL C20H28N2O3S1 non-polymer 0.00 0.00 DZL DZM C12H17N4O6P1 DNA linking 1.00 0.39 DZM DZN C21H20O9 non-polymer 1.00 0.40 DZN DZO C18Cl1H14N5 non-polymer 0.00 0.00 DZO DZP C16Cl1H13N2O1 non-polymer 0.00 0.00 DZP DZS C23Cl1H15N4O4 non-polymer 0.00 0.00 DZS DZT C30H46O3 non-polymer 0.55 0.18 DZT DZV C23Cl1H17N4O3 non-polymer 0.00 0.00 DZV DZW C31H48O3 non-polymer 0.55 0.18 DZW DZX C8H15N1O3 non-polymer 0.00 0.00 DZX DZY C7H9N1O2S1 non-polymer 0.00 0.00 DZY DZZ C2H7O3P1S1 non-polymer 0.00 0.00 DZZ E C30H28N5O9P1 DNA linking 1.00 0.20 E E01 C15H25N1 non-polymer 0.00 0.00 E01 E02 C15Cl1H12N3O3S1 non-polymer 0.00 0.00 E02 E04 C25H33N1O3 non-polymer 0.00 0.00 E04 E05 C26H38O3 non-polymer 0.55 0.21 E05 E06 B1C9F2H11N1O4 non-polymer 0.43 0.29 E06 E07 B1C16H19N1O4 non-polymer 0.43 0.23 E07 E08 B1C12H19N1O4 non-polymer 0.43 0.28 E08 E09 C15H18N2O4 non-polymer 0.00 0.00 E09 E0A C17H20N2O3S1 non-polymer 0.00 0.00 E0A E0B C21H25N3O4S1 non-polymer 0.00 0.00 E0B E0C Br1C20H17N2O4S1 non-polymer 0.00 0.00 E0C E0D C18H20N2O4 non-polymer 0.62 0.12 E0D E0E C27H40O3 non-polymer 0.55 0.20 E0E E0G C23F3H27N4O3 non-polymer 0.00 0.00 E0G E0H C11Cl2H6O3 non-polymer 0.00 0.00 E0H E0J C14H15N1O2 non-polymer 0.00 0.00 E0J E0K C17H18N2O3 non-polymer 0.00 0.00 E0K E0M C16H14N6O2 non-polymer 0.00 0.00 E0M E0N C18Cl1H23N2O3 non-polymer 0.00 0.00 E0N E0P C18H18N2O4 non-polymer 1.00 0.67 E0P E0Q C12Cl1H12N1O4 non-polymer 0.00 0.00 E0Q E0S C17H15N7O3 non-polymer 1.00 0.52 E0S E0T C11Cl2H6O3 non-polymer 0.00 0.00 E0T E0V C21H27N7O6S1 non-polymer 1.00 0.37 E0V E0Y C15H27N3O4S1 L-peptide linking 0.62 0.39 E0Y E0Z C27Cl1H25N6O3 non-polymer 0.00 0.00 E0Z E10 C28H42N4O2 non-polymer 0.00 0.00 E10 E11 C27H38N6O2 non-polymer 0.20 0.09 E11 E12 C30H46N4O2 non-polymer 0.00 0.00 E12 E13 C37H53N5O7S1 peptide-like 0.42 0.64 E13 E14 C34H49N5O5S1 peptide-like 0.42 0.38 E14 E15 C35H51N5O5S1 peptide-like 0.42 0.37 E15 E16 C36H53N5O5S1 peptide-like 0.42 0.45 E16 E17 C42H62N6O7S1 peptide-like 0.42 0.38 E17 E18 C12H18N2O4S2 non-polymer 0.20 0.15 E18 E1B C20H12N4O2 non-polymer 0.00 0.00 E1B E1D C15F2H15N5O2 non-polymer 0.00 0.00 E1D E1E C14Cl1H14N3O3S2 non-polymer 0.00 0.00 E1E E1F C12Cl1H10N3O3S2 non-polymer 0.00 0.00 E1F E1G C12H11N3O3S2 non-polymer 0.00 0.00 E1G E1H C2H5N1 non-polymer 0.00 0.00 E1H E1J C21H30N6O3 non-polymer 0.38 0.17 E1J E1K C14Cl1H16N2 non-polymer 0.00 0.00 E1K E1M C23Cl2H20N2O3 non-polymer 0.58 0.17 E1M E1N C19Cl1H22N2 non-polymer 0.00 0.00 E1N E1P C9H15N1O3 non-polymer 0.75 0.62 E1P E1S C19H22N2O4S1 non-polymer 0.00 0.00 E1S E1T C9H6N2O2 non-polymer 0.00 0.00 E1T E1W C12Cl1H12N5O2 non-polymer 0.00 0.00 E1W E1X C12H17N4O8P1 DNA linking 1.00 0.36 E1X E1Z C17H22N2O3 non-polymer 0.44 0.32 E1Z E20 C24H29N1O3 non-polymer 0.00 0.00 E20 E21 C45H74O12 non-polymer 0.00 0.00 E21 E22 C27H30N4O4 non-polymer 0.35 0.46 E22 E23 C19F3H20N1O1 non-polymer 0.38 0.08 E23 E24 C15Cl2F3H10N1O1 non-polymer 0.00 0.00 E24 E26 C21H27N1O6 non-polymer 0.00 0.00 E26 E27 C18Cl1H13N4O3S2 non-polymer 0.00 0.00 E27 E28 C25F3H22N5O2 non-polymer 0.00 0.00 E28 E29 C10Cl1H7N4O2 non-polymer 0.44 0.35 E29 E2B C26H31N1O3 non-polymer 0.00 0.00 E2B E2G C15H20N6O3 peptide-like 0.00 0.00 E2G E2I C16H19N3O3S2 non-polymer 0.00 0.00 E2I E2J C27F2H25N3O1S1 non-polymer 0.00 0.00 E2J E2K C14H18N8O5S1 non-polymer 1.00 0.36 E2K E2M C29F6H29N1O5S1 non-polymer 0.22 0.14 E2M E2N C13F3H11N2O4 non-polymer 1.00 0.50 E2N E2P C20H30O4 non-polymer 0.42 0.54 E2P E2Q C12H8N4O6S1 non-polymer 0.00 0.00 E2Q E2T C26H24N2O6 non-polymer 0.62 0.09 E2T E2W C23Cl1H27N4O2 non-polymer 0.00 0.00 E2W E2Z C17F1H18N5 non-polymer 0.00 0.00 E2Z E30 C7H7N5 non-polymer 0.00 0.00 E30 E31 C21Cl1H20N3O1 non-polymer 0.00 0.00 E31 E32 C17F1H18N5O1 non-polymer 0.00 0.00 E32 E34 C9H12N2O2 non-polymer 0.75 0.38 E34 E35 C9H10O4 non-polymer 0.75 0.38 E35 E36 C17Cl1H14N3O5S2 non-polymer 0.00 0.00 E36 E37 C22H20N2O4S1 non-polymer 0.00 0.00 E37 E38 Br1C15Cl1H11N3O3S2 non-polymer 0.00 0.00 E38 E3A C19F1H17N4O4 non-polymer 0.00 0.00 E3A E3B C21F2H23N1O2 non-polymer 0.62 0.12 E3B E3C C11H20N3O8P1 RNA linking 1.00 0.43 E3C E3D C9Cl2H10N2Ru1 non-polymer 0.00 0.00 E3D E3E C18F1H13N4O1 non-polymer 0.00 0.00 E3E E3G C24H30O8 non-polymer 1.00 0.41 E3G E3H C27H26N2O6 non-polymer 0.62 0.09 E3H E3K C14H20N9O4S2 non-polymer 1.00 0.34 E3K E3M C10H20N2O8S1 D-saccharide 1.00 0.81 E3M E3N C21F3H30N3O5S1 non-polymer 0.00 0.00 E3N E3O C18H24O3 non-polymer 0.00 0.00 E3O E3P C26H26N2O4 non-polymer 0.00 0.00 E3P E3Q C27H34N2O4 non-polymer 0.00 0.00 E3Q E3S C26F1H28N3O5 non-polymer 0.38 0.06 E3S E3T C26H24N2O5 non-polymer 0.62 0.09 E3T E3V C28F1H30N3O5 non-polymer 0.00 0.00 E3V E3Y C17Cl1H15N4O1 non-polymer 0.00 0.00 E3Y E3Z C19Cl1H16N5O1 non-polymer 0.38 0.19 E3Z E40 C28H29N3O8S1 non-polymer 0.58 0.28 E40 E41 C20H28N2O4S1 non-polymer 0.42 0.30 E41 E42 C15H15N1O3 non-polymer 0.00 0.00 E42 E43 H2O40W12 non-polymer 0.00 0.00 E43 E44 C17Cl1H15N4O1 non-polymer 0.00 0.00 E44 E46 C18F3H19N6O1 non-polymer 0.00 0.00 E46 E48 C21H26N6O6 non-polymer 1.00 0.36 E48 E49 C14Cl1H14N3O3S2 non-polymer 0.00 0.00 E49 E4B C9H10O3 non-polymer 0.75 0.42 E4B E4D C27H29N1O4S1 non-polymer 0.00 0.00 E4D E4E C15H18N6O5 non-polymer 1.00 0.38 E4E E4F C23H26N2O5 non-polymer 0.00 0.00 E4F E4H C17H28O4 non-polymer 0.00 0.00 E4H E4K C29H29N1O3 non-polymer 0.00 0.00 E4K E4M C31H44N6O16P1 non-polymer 1.00 0.56 E4M E4N C8H20N1 non-polymer 0.00 0.00 E4N E4P C4H9O7P1 saccharide 1.00 0.67 E4P E4Q C34H35N5O3S1 non-polymer 0.00 0.00 E4Q E4S C29F1H27N6O4S1 non-polymer 0.00 0.00 E4S E4T C7H14O4 non-polymer 0.00 0.00 E4T E4V C11H10N6 non-polymer 0.00 0.00 E4V E4W C35Cl1H34N5O3S2 non-polymer 0.00 0.00 E4W E4Z C24F2H19N3O4S1 non-polymer 0.00 0.00 E4Z E50 C14Cl1H14N3O3S2 non-polymer 0.00 0.00 E50 E52 C29F1H23N4O7Ru1 non-polymer 0.62 0.17 E52 E55 C66H126N2O19P2 non-polymer 1.00 0.53 E55 E57 C22Cl1H26N5O3 non-polymer 0.50 0.48 E57 E59 C13H13N3O4S2 non-polymer 0.00 0.00 E59 E5E C8H12N1O3 non-polymer 0.00 0.00 E5E E5G C11H22O7 saccharide 1.00 0.67 E5G E5H C22H28N2O2 non-polymer 0.00 0.00 E5H E5J C26Cl1H34N6O2P1 non-polymer 0.25 0.08 E5J E5K C26H35N3O3 non-polymer 0.00 0.00 E5K E5M C15F2H15N5O2 non-polymer 0.00 0.00 E5M E5N C6H10O4 non-polymer 0.65 0.70 E5N E5Q C17H16N2O3 non-polymer 0.00 0.00 E5Q E5S C26H31N3O3 non-polymer 0.00 0.06 E5S E5T C15H17N1O3 non-polymer 0.00 0.00 E5T E5W C17F2H20N2O2 non-polymer 0.00 0.00 E5W E62 C20H27N1O6 non-polymer 0.00 0.00 E62 E63 C23H21N9O1 non-polymer 1.00 0.27 E63 E64 C15H30N5O5 non-polymer 0.86 0.36 E64 E65 C14H15N3O3S2 non-polymer 0.00 0.00 E65 E67 C31H47N7O2 non-polymer 0.20 0.07 E67 E69 C26H49N11O6 peptide-like 0.00 0.00 E69 E6A Br1C20H13O5 non-polymer 0.00 0.00 E6A E6C C15H28N2O5 non-polymer 0.86 0.41 E6C E6D C17H32N2O5 non-polymer 0.84 0.46 E6D E6E C34H35N5O4S1 non-polymer 0.00 0.00 E6E E6G C12H18N5O8P1 RNA linking 1.00 0.38 E6G E6N C34H37N7O6 non-polymer 0.00 0.00 E6N E6Q C16H10N2O1 non-polymer 0.00 0.00 E6Q E6T C16H10N2O2 non-polymer 0.00 0.00 E6T E6U C23H26N6O4 non-polymer 0.00 0.00 E6U E6W Br1C16H9N2O1 non-polymer 0.00 0.00 E6W E6Z C25H29N3O3 non-polymer 0.00 0.06 E6Z E70 C18H17N3O4S1 non-polymer 0.00 0.00 E70 E71 C21F2H12N4O1 non-polymer 0.00 0.00 E71 E72 C29H52N8O2 non-polymer 0.20 0.08 E72 E75 C20H22N4O2 non-polymer 0.00 0.00 E75 E78 C20H23N3O2S1 non-polymer 0.00 0.00 E78 E7B C41H68O14 non-polymer 0.93 0.58 E7B E7D C20H29N3O6 non-polymer 0.00 0.00 E7D E7E C17H16N4O2 non-polymer 0.00 0.00 E7E E7G C12H20N5O8P1 RNA linking 1.00 0.38 E7G E7H C20H24N4O2 non-polymer 0.00 0.00 E7H E7N C25H31N5O3S1 non-polymer 0.00 0.00 E7N E7P C4H10N1O5P1 non-polymer 0.00 0.00 E7P E7Q C16Cl1H19N2O4 non-polymer 1.00 0.35 E7Q E7S C10H12N2O1 non-polymer 0.00 0.00 E7S E7T C22F5H19N2O3 non-polymer 0.00 0.00 E7T E7V Br1C25Cl2H19N2O3S1 non-polymer 0.50 0.12 E7V E7W C22H25N5O2 non-polymer 0.00 0.00 E7W E7Y C22H37N1O2 non-polymer 0.38 0.60 E7Y E7Z C7H7N1O4 non-polymer 1.00 0.92 E7Z E82 C24H24N2O1 non-polymer 0.00 0.00 E82 E85 C18H17N7O1 non-polymer 0.00 0.00 E85 E86 C24Cl1H22N5O2 non-polymer 0.38 0.28 E86 E87 C44H85N1O6S1 non-polymer 0.65 0.37 E87 E88 C20H23N5O2 non-polymer 0.59 0.30 E88 E89 C18H17N5O2 non-polymer 0.00 0.00 E89 E8B C18H22N2O1 non-polymer 0.00 0.00 E8B E8C C14F2H19N3O3 non-polymer 0.00 0.00 E8C E8D C18F2H13N5O2 non-polymer 0.00 0.00 E8D E8E C30H38N4O5 non-polymer 0.39 0.44 E8E E8F C16H25N3O3 non-polymer 0.00 0.00 E8F E8G C16H25N3O3 non-polymer 0.00 0.00 E8G E8H C27H32N4O6 non-polymer 0.00 0.00 E8H E8J C21H31N5O5 non-polymer 0.00 0.00 E8J E8K C23H27N3O4S1 non-polymer 0.55 0.23 E8K E8M C17H30N4O3 non-polymer 0.20 0.12 E8M E8N C9H18 non-polymer 0.00 0.00 E8N E8P C24H33N3O6 non-polymer 0.00 0.00 E8P E8R C16H25N3O3 non-polymer 0.00 0.00 E8R E8S C22H22N2O7S2 non-polymer 0.00 0.00 E8S E8U C7H10O6 non-polymer 0.79 1.00 E8U E8V C17F4H10N2O2 non-polymer 0.00 0.00 E8V E8W C5H13O3P1 non-polymer 0.58 0.44 E8W E8Z C18H15N1O3 non-polymer 0.00 0.00 E8Z E90 C12H11N3O3S2 non-polymer 0.00 0.00 E90 E91 C21H14N2O2 non-polymer 0.00 0.00 E91 E92 C16Cl1H10N1O3 non-polymer 0.00 0.00 E92 E94 C28Cl1H27N6O1S1 non-polymer 0.00 0.00 E94 E95 C12H14N2O2 L-peptide linking 0.00 0.00 E95 E96 C26H18N4O2 non-polymer 0.00 0.00 E96 E97 C36H40N6O2 non-polymer 0.50 0.30 E97 E98 C16F1H10N1O3 non-polymer 0.00 0.00 E98 E9A C27H35N2O3 non-polymer 0.00 0.00 E9A E9D C51Cl1F1H49N8O7 non-polymer 0.97 0.06 E9D E9E C4H11O3P1 non-polymer 0.67 0.75 E9E E9G C10H11N1O4 non-polymer 0.43 0.73 E9G E9H C16H35O4P1 non-polymer 0.00 0.00 E9H E9J C10H11N1O3 non-polymer 0.43 0.79 E9J E9K C7H13N1O3 non-polymer 1.00 1.00 E9K E9L C16H15N2O1 non-polymer 0.00 0.00 E9L E9M C12H14N2O2 L-peptide linking 0.50 0.50 E9M E9N C11H12O4S1 non-polymer 0.96 0.50 E9N E9P C14H14O2 non-polymer 0.00 0.00 E9P E9Q C8H11N5 non-polymer 0.00 0.00 E9Q E9S Br1C10H7O5 non-polymer 0.94 0.50 E9S E9T C27H26O3 non-polymer 0.00 0.00 E9T E9V C7H11N3O2 L-peptide linking 0.50 0.67 E9V E9W C15H18N9O4S1 non-polymer 1.00 0.34 E9W E9Y C17H18N4O2 non-polymer 0.00 0.00 E9Y E9Z C16Cl1H19N4O2 non-polymer 0.75 0.22 E9Z EA1 C7H5N5 non-polymer 0.00 0.00 EA1 EA2 C2H9N1O7P2 non-polymer 0.00 0.00 EA2 EA4 C12H17N3O3 non-polymer 0.61 0.39 EA4 EA5 C13H22N3O7P1 non-polymer 0.00 0.00 EA5 EA7 C17F2H15N5O2 non-polymer 0.00 0.00 EA7 EAA C13Cl2H12O4 non-polymer 0.31 0.47 EAA EAB C15H15N3O2 non-polymer 0.00 0.00 EAB EAC C6H10O3 non-polymer 0.69 1.00 EAC EAD C29H36N8O15P2 non-polymer 1.00 0.43 EAD EAE C13H15N1O2S1 non-polymer 0.62 0.18 EAE EAG C10H20N2O6 D-saccharide 1.00 0.83 EAG EAH C20H32O3 non-polymer 0.38 0.26 EAH EAJ C14H12O3 non-polymer 0.00 0.00 EAJ EAL C18H24N2O5 non-polymer 0.50 0.48 EAL EAM C22Cl1H22N5O2 non-polymer 0.00 0.00 EAM EAN C13H17N2O8P1 DNA linking 1.00 0.83 EAN EAP C2H6N1O4P1 non-polymer 0.00 0.00 EAP EAQ C20H21N6O1 non-polymer 0.38 0.07 EAQ EAS C25Cl2H27N5O1 non-polymer 0.00 0.00 EAS EAT C12H15N3O2 non-polymer 0.00 0.00 EAT EAU C16H21N7O2 non-polymer 1.00 0.56 EAU EAV C26Cl1H30N5O1 non-polymer 0.00 0.00 EAV EAW Br1C10H13N2O2S1 non-polymer 0.00 0.00 EAW EAX C4H8O5 non-polymer 0.98 1.00 EAX EAZ C19H24N4O1 non-polymer 0.00 0.00 EAZ EB0 C19F1H15N2O3S1 non-polymer 0.00 0.00 EB0 EB1 C30H46O3 non-polymer 0.39 0.33 EB1 EB2 C20H24N2O3S1 non-polymer 0.00 0.00 EB2 EB3 C19H22N2O3S1 non-polymer 0.00 0.00 EB3 EB4 C30H27N3O15 non-polymer 0.00 0.00 EB4 EB5 C15H16N2O3S1 non-polymer 0.00 0.00 EB5 EB7 C19Cl1F1H14N2O3S1 non-polymer 0.00 0.00 EB7 EB8 C21H18N2O5S1 non-polymer 0.97 0.14 EB8 EB9 C19H16N2O3S1 non-polymer 0.00 0.00 EB9 EBB C15H14N4O1S1 non-polymer 0.00 0.00 EBB EBC C6H10I2N2O2 non-polymer 0.00 0.00 EBC EBD C19H19N7 non-polymer 0.00 0.00 EBD EBE C19F1H16N3O2 non-polymer 0.00 0.00 EBE EBG C10H18O7 D-saccharide 1.00 0.71 EBG EBH Br1C3H7O1 non-polymer 0.00 0.00 EBH EBI C23F1H24N9O1 non-polymer 0.00 0.00 EBI EBJ C2H3N3S1 non-polymer 0.00 0.00 EBJ EBK C22Cl2H26N6O2S1 non-polymer 0.00 0.00 EBK EBM C10H12I1N1O1 non-polymer 0.50 0.46 EBM EBN C28Cl2H46N8O3 non-polymer 0.00 0.00 EBN EBP C12H19O3P1 non-polymer 0.62 0.44 EBP EBQ C10H20O7 D-saccharide 1.00 1.00 EBQ EBS C18H18N4O6S4 non-polymer 0.00 0.00 EBS EBT C16H24N2O4 non-polymer 0.50 0.41 EBT EBU C46H56N10O6 non-polymer 0.00 0.00 EBU EBV C26Cl1H28N5O1 non-polymer 0.00 0.00 EBV EBW C27H38N2O1 non-polymer 0.43 0.37 EBW EBY C26Cl1H30N5O1 non-polymer 0.00 0.00 EBY EC2 C28H23N1O3S1 non-polymer 0.00 0.00 EC2 EC4 C25Cl2H27N5O1 non-polymer 0.00 0.00 EC4 EC5 C28H25N1O4S1 non-polymer 0.00 0.00 EC5 EC6 C28H54N4O5 peptide-like 0.20 0.08 EC6 EC7 C18H35N3O1 non-polymer 0.45 0.45 EC7 EC8 C16F4H9N3O4 non-polymer 0.00 0.00 EC8 ECA C30H27N3O9 non-polymer 0.00 0.00 ECA ECB C23H38O4 non-polymer 0.98 0.89 ECB ECC C5H12N2O2 L-peptide linking 0.00 0.00 ECC ECD C6H12N3O2 non-polymer 0.00 0.00 ECD ECE C6H10O2 non-polymer 0.00 0.00 ECE ECG C10H17N1O3 non-polymer 0.50 0.50 ECG ECH C40H54O1 non-polymer 0.38 0.20 ECH ECJ C10H13N5O16P4 non-polymer 1.00 0.29 ECJ ECL C18Cl3H15N2O1 non-polymer 0.00 0.00 ECL ECM C39Cl2H39N5O4 non-polymer 0.00 0.00 ECM ECN C18Cl3H15N2O1 non-polymer 0.00 0.00 ECN ECO C20H25N1O5 non-polymer 0.00 0.00 ECO ECP C20H36O7P2 non-polymer 0.62 0.17 ECP ECQ C8H16N2O2 non-polymer 0.00 0.00 ECQ ECS C18H24O3 non-polymer 0.00 0.00 ECS ECT C39H43N3O11S1 non-polymer 0.00 0.00 ECT ECV C20F1H18N3O5 non-polymer 0.00 0.00 ECV ECX C5H11N1O2S1 L-peptide linking 0.00 0.00 ECX ECY C37Cl1H39N4O4 non-polymer 0.00 0.00 ECY ECZ C16F3H11N2O2 non-polymer 0.00 0.00 ECZ ED1 C40H48N6O6S1 non-polymer 0.56 0.09 ED1 ED2 C25H27N7O2S1 non-polymer 0.00 0.00 ED2 ED4 C29H40N8O4S1 non-polymer 0.56 0.12 ED4 ED5 C32H42N6O4S1 non-polymer 0.56 0.12 ED5 ED7 C28H29N5O2S1 non-polymer 0.00 0.00 ED7 ED8 C26F3H25N4O3S1 non-polymer 1.00 0.27 ED8 ED9 C30H50O5 non-polymer 0.75 0.31 ED9 EDA C12H14N5O6P1 DNA linking 1.00 0.38 EDA EDB C22Cl2H17N5O2S1 non-polymer 0.00 0.00 EDB EDC C11H14N3O7P1 DNA linking 1.00 0.41 EDC EDD C22Cl2H23N5O2 non-polymer 0.38 0.06 EDD EDE C34H59N11O10 non-polymer 0.45 0.27 EDE EDG C5H11N1O3 non-polymer 1.00 1.00 EDG EDH C18H18N4O2 non-polymer 0.00 0.00 EDH EDI C12H16I1N4O7P1 DNA linking 1.00 0.36 EDI EDJ Br1C21H21N4O5 non-polymer 0.60 0.13 EDJ EDK C30H29N3O4 non-polymer 0.50 0.14 EDK EDM C9H13N3O2S1 non-polymer 0.38 0.13 EDM EDN C2H8N2 non-polymer 0.00 0.00 EDN EDO C2H6O2 non-polymer 0.00 0.00 EDO EDP C11H18N2O2S1 non-polymer 1.00 0.81 EDP EDR C10H16N1O1 non-polymer 0.29 0.33 EDR EDS C25H48N6O10 non-polymer 1.00 0.51 EDS EDT C10H16N2O8 non-polymer 0.87 1.00 EDT EDU C11H12N2O5 non-polymer 1.00 0.50 EDU EDV C12H14N2O5 non-polymer 1.00 0.53 EDV EDZ C11H12N4O2S1 non-polymer 0.00 0.00 EDZ EE1 C26H34N7O22P3 non-polymer 1.00 0.62 EE1 EE2 C22H20O7 non-polymer 0.00 0.00 EE2 EE4 C30F1H30N5O5 non-polymer 0.58 0.10 EE4 EE5 C20H16N2O3S1 non-polymer 0.38 0.08 EE5 EE7 C32F4H36N8O1S1 non-polymer 0.00 0.00 EE7 EE8 C10Cl1H12N1O2 non-polymer 0.00 0.00 EE8 EEA C28Cl1H29N4O8 non-polymer 0.00 0.00 EEA EEB C21H33N3O19P2 non-polymer 1.00 0.69 EEB EEC C22H26N4O8 non-polymer 0.00 0.00 EEC EED C20H28O3 non-polymer 0.55 0.26 EED EEE C4H8O2 non-polymer 0.75 1.00 EEE EEF C25H29N3O7 peptide-like 0.00 0.00 EEF EEG C29H31N3O7S1 non-polymer 0.00 0.00 EEG EEH C33H40N4O4S1 non-polymer 0.00 0.00 EEH EEJ C31Cl2H31N9O4 non-polymer 0.29 0.11 EEJ EEK C9Cl2H8N2O3 non-polymer 0.00 0.00 EEK EEM C15H23N6O5Se1 non-polymer 1.00 0.33 EEM EEN C8F2H13N1O6 non-polymer 1.00 0.88 EEN EEP C6H13N1O4 L-peptide linking 0.73 1.00 EEP EEQ C8F1H14N1O6 non-polymer 1.00 0.94 EEQ EES C13Cl1H9N2O2 non-polymer 0.00 0.00 EES EET C20H34O4 non-polymer 0.62 0.71 EET EEU C35H41N3O10 non-polymer 0.87 0.38 EEU EEV C29F3H30N7O2S1 non-polymer 0.00 0.00 EEV EEW C14H27N2O5P1 non-polymer 0.00 0.00 EEW EEY C12Cl1H8N3O3 non-polymer 0.00 0.00 EEY EEZ C23Cl1H23N2O4S1 non-polymer 0.00 0.00 EEZ EF1 C21H35N2O5P1 non-polymer 0.00 0.00 EF1 EF2 C13H10N2O4 non-polymer 1.00 0.47 EF2 EF3 C23F3H27N6O1 non-polymer 0.00 0.00 EF3 EF4 C45H74O10 non-polymer 0.00 0.00 EF4 EF5 C26H22N2O4S2 non-polymer 0.00 0.00 EF5 EF8 C19H37N5O5P1 non-polymer 0.00 0.00 EF8 EFA C12F1H12N5O3 non-polymer 1.00 0.43 EFA EFB C45H72O12 non-polymer 0.00 0.00 EFB EFC C5F1H10N1O2S2 L-peptide linking 0.00 0.00 EFC EFD C33F4H35N3O2 non-polymer 0.00 0.00 EFD EFE C14Fe1H14N2O3S2 non-polymer 0.00 0.00 EFE EFG C12F1H13N5O7P1 non-polymer 1.00 0.35 EFG EFK H2O2 non-polymer 0.00 0.00 EFK EFL Br1C17H17N2O5S1 non-polymer 0.00 0.00 EFL EFM Br1C18H19N2O6S1 non-polymer 0.00 0.00 EFM EFN Br1C17H17N2O6S1 non-polymer 0.00 0.00 EFN EFO C45H74O11 non-polymer 0.00 0.00 EFO EFP C18H22N4O3 non-polymer 0.00 0.00 EFP EFQ C16H19N3O3 non-polymer 0.00 0.00 EFQ EFS C2H7O4P1 non-polymer 0.00 0.00 EFS EFT C16H19N3O1 non-polymer 0.00 0.00 EFT EFU C24H23N3O2 non-polymer 0.50 0.14 EFU EFV C19H16N6O3 non-polymer 0.00 0.00 EFV EFW C11H15N3O2 non-polymer 0.00 0.00 EFW EFX C15H12O4 non-polymer 0.97 0.21 EFX EFY C25H29N3O3 non-polymer 0.38 0.06 EFY EFZ C14Cl1F3H9N1O2 non-polymer 0.00 0.10 EFZ EG1 C15H24N4O6S1 non-polymer 0.67 0.46 EG1 EG2 C13H21N3O5S1 non-polymer 0.67 0.55 EG2 EG3 C22H30N4O6S1 non-polymer 0.67 0.36 EG3 EG5 C35Cl1H40N5O7 non-polymer 0.00 0.00 EG5 EG6 C15F3H13N2O4S1 non-polymer 0.86 0.36 EG6 EG7 C24Cl1F2H26N5O2 non-polymer 0.00 0.00 EG7 EG8 C17H20N6 non-polymer 0.00 0.00 EG8 EGA C8H16O6 D-saccharide 1.00 0.86 EGA EGB C16H18N2O2S1 non-polymer 0.00 0.00 EGB EGC C32H58O10 non-polymer 0.88 0.83 EGC EGD C3H9N3 non-polymer 0.36 0.67 EGD EGG C22H18O11 non-polymer 0.00 0.00 EGG EGJ C27Cl1F1H26N4O2S1 non-polymer 0.00 0.00 EGJ EGL C2H6O2 non-polymer 0.00 0.00 EGL EGM C9H10O2 non-polymer 0.00 0.00 EGM EGP C31H39N7O2S1 non-polymer 0.00 0.00 EGP EGR C9H10O5 non-polymer 0.75 0.36 EGR EGT C15H14O7 non-polymer 0.00 0.00 EGT EGV C6H11N3O4 non-polymer 0.62 0.85 EGV EGW C25F1H23N2O3 non-polymer 0.00 0.00 EGW EGY C33H67N1O8P1 non-polymer 0.98 0.51 EGY EGZ C18H25N1O13S1 non-polymer 1.00 0.97 EGZ EH1 C13H16O2 non-polymer 0.00 0.00 EH1 EH2 C13H10O2S1 non-polymer 0.25 0.12 EH2 EH5 C46H51N3O10 non-polymer 0.00 0.00 EH5 EH8 C15H13N3 non-polymer 0.00 0.00 EH8 EH9 C14H23N5O1 non-polymer 0.00 0.00 EH9 EHA C33H31N1O5 non-polymer 0.83 0.13 EHA EHB C12H13N1O2S1 non-polymer 0.62 0.19 EHB EHD C20H16N2O4 non-polymer 0.00 0.00 EHD EHE C16H19N3O1 non-polymer 0.00 0.00 EHE EHF C20H18N2O5 non-polymer 1.00 0.70 EHF EHG C12H18N5O8P1 DNA linking 1.00 0.35 EHG EHH C18H20N4 non-polymer 0.00 0.00 EHH EHK C15H18N4O1 non-polymer 0.00 0.00 EHK EHM C4H9N1O5 non-polymer 0.97 0.90 EHM EHN C2H6 non-polymer 0.00 0.00 EHN EHP C9H11N1O3 L-peptide linking 0.00 0.00 EHP EHQ C13H12N4O1 non-polymer 0.00 0.00 EHQ EHS C20H20N2O11 non-polymer 0.84 0.52 EHS EHT C14H14N4O1 non-polymer 0.00 0.00 EHT EHV Br1C11H11O4 non-polymer 0.96 0.50 EHV EHW C18F1H15N4O1 non-polymer 0.00 0.00 EHW EHY C14H15N3S1 non-polymer 0.00 0.00 EHY EHZ C25H49N2O9P1S1 non-polymer 0.62 0.26 EHZ EI1 C15H14N2O2 non-polymer 0.00 0.00 EI1 EI3 C12H12N2 non-polymer 0.00 0.00 EI3 EIC C18H32O2 non-polymer 0.38 0.45 EIC EIM C28H46O4 non-polymer 0.55 0.19 EIM EIN C17H22N1O6P1S1 non-polymer 0.00 0.00 EIN EIP C5H14O8P2 non-polymer 0.65 0.47 EIP EIS C36H69N1O11S1 non-polymer 1.00 0.43 EIS EIT C15H21N4O9P1 RNA linking 1.00 0.62 EIT EJ1 C14H22N5O7P1 non-polymer 0.93 0.30 EJ1 EJ4 C26H26N2O3 non-polymer 0.00 0.00 EJ4 EJ5 C14H15N3O4 non-polymer 1.00 0.52 EJ5 EJ7 C18F1H18N5O3 non-polymer 0.00 0.00 EJ7 EJ8 C18H22N2O11P2S1 non-polymer 0.00 0.00 EJ8 EJA C6H10N2O5S1 L-peptide linking 0.58 0.93 EJA EJD C11H8O2S1 non-polymer 0.00 0.00 EJD EJE C22F1H21N4 non-polymer 0.00 0.00 EJE EJH C11Cl1H18N2O13P3 non-polymer 1.00 0.57 EJH EJK C19Cl1F4H14N1O6 non-polymer 1.00 0.39 EJK EJN C18F5H15O6 non-polymer 1.00 0.41 EJN EJP C24Cl1H20N5O3 non-polymer 0.00 0.00 EJP EJQ C12F1H15N2O1 non-polymer 0.00 0.00 EJQ EJS C25F1H25N8O5 non-polymer 0.44 0.15 EJS EJT C27H41N5O14 saccharide 1.00 0.78 EJT EJV C14H20O2 non-polymer 0.00 0.00 EJV EJW C10H11N2O1 non-polymer 0.00 0.00 EJW EJY C14H11N3O2 non-polymer 0.00 0.00 EJY EJZ C5H3N3O6 non-polymer 1.00 0.79 EJZ EK0 C13Cl1H13N2 non-polymer 0.00 0.00 EK0 EK1 C31H31N3O4 non-polymer 0.58 0.11 EK1 EK2 C18Cl2H16N4O2 non-polymer 0.00 0.00 EK2 EK3 C20F1H21N4 non-polymer 0.00 0.00 EK3 EK4 C23F3H19N4O2 non-polymer 0.38 0.28 EK4 EK5 C23Cl1H19N4O2 non-polymer 0.00 0.00 EK5 EK6 C27Cl2F1H26N5O4 non-polymer 0.61 0.41 EK6 EK7 C19H17N5O1S1 non-polymer 0.20 0.12 EK7 EK8 C32H38N2O4 non-polymer 0.58 0.11 EK8 EK9 C24H22N4O2 non-polymer 0.38 0.30 EK9 EKA C8H13N1O4 non-polymer 0.00 0.00 EKA EKB C18H22N4O3 non-polymer 0.00 0.08 EKB EKD C8H13N1O3 non-polymer 0.00 0.00 EKD EKE C6H13N1O3 non-polymer 0.00 0.00 EKE EKG C19H38O4 non-polymer 0.98 0.43 EKG EKH C11Cl1H13N4O4 non-polymer 1.00 0.50 EKH EKJ C23H25N3O2S1 non-polymer 0.50 0.17 EKJ EKK Br1C11H13N4O4 non-polymer 1.00 0.50 EKK EKM C21H20N2S1 non-polymer 0.25 0.17 EKM EKN C6H12N2O4 non-polymer 0.86 0.75 EKN EKO C18Cl3H15N2O1 non-polymer 0.00 0.00 EKO EKP C33H36N2O3 non-polymer 0.93 0.45 EKP EKQ C10H16N2O8 non-polymer 0.86 1.00 EKQ EKS C34H40N2O4 non-polymer 0.81 0.47 EKS EKT C20F2H25N5O2 non-polymer 0.00 0.00 EKT EKV C28H37N1O2Si1 non-polymer 0.55 0.19 EKV EKZ C10H14O2 non-polymer 0.38 0.17 EKZ EL C17H15N2 non-polymer 0.00 0.00 EL EL1 Br1C24H24N3O5S2 non-polymer 0.50 0.11 EL1 EL2 Br1C25H24N5O2S1 non-polymer 0.50 0.12 EL2 EL3 C15H24 non-polymer 0.00 0.00 EL3 EL5 C33H36N4O6 non-polymer 0.50 0.09 EL5 EL7 C43H76N2O10 non-polymer 1.00 0.38 EL7 EL8 C18F3H20N3O5 non-polymer 0.00 0.00 EL8 ELA C18H34O2 non-polymer 0.42 0.30 ELA ELB C19H20I1N5O2 non-polymer 0.00 0.00 ELB ELD C18H35N1O1 non-polymer 0.42 0.30 ELD ELE C6H11O9P1 non-polymer 1.00 0.75 ELE ELG C33H56N2O10 non-polymer 1.00 0.47 ELG ELH C14H9N1O2S1 non-polymer 0.00 0.00 ELH ELI C17H18O4 non-polymer 0.00 0.00 ELI ELJ C22Cl1H24N2Os1S1 non-polymer 0.00 0.00 ELJ ELK C22H26N4O4 non-polymer 0.00 0.00 ELK ELM C38H66N2O10 non-polymer 1.00 0.42 ELM ELN C9Cl1H7N2O1 non-polymer 0.00 0.00 ELN ELP C16H20N2O8P2 non-polymer 0.38 0.07 ELP ELS C51H92N2O10 non-polymer 1.00 0.33 ELS ELT C4H12N1O3P1 non-polymer 0.43 0.67 ELT ELV C23Cl1F1H23N1O5 non-polymer 0.50 0.23 ELV ELW C20F1H14N5O3 non-polymer 0.00 0.07 ELW ELY C10H22N2O2 L-peptide linking 0.00 0.00 ELY ELZ C25H27N5O6 non-polymer 0.00 0.06 ELZ EM1 C43F1H65N6O10 non-polymer 1.00 0.17 EM1 EM2 C9H8N1O6P1 non-polymer 1.00 0.76 EM2 EM4 C52H94N2O10 non-polymer 1.00 0.33 EM4 EM5 C15Cl1H22N3O4S1 non-polymer 0.64 0.25 EM5 EM6 C10H10N4O1 non-polymer 0.00 0.00 EM6 EM7 C13H12N8O1 non-polymer 0.50 0.18 EM7 EM8 C20F3H17N2O4 non-polymer 0.00 0.00 EM8 EM9 C34Cl1H54N1O3 non-polymer 0.00 0.00 EM9 EMA C8H14N5O10P3 non-polymer 0.00 0.00 EMA EMB C4H9N1O2 non-polymer 0.67 1.00 EMB EMC C2H5Hg1 non-polymer 0.00 0.00 EMC EMD C22H23N3O4S1 non-polymer 0.00 0.00 EMD EME C6H11N1O4 L-peptide linking 0.68 0.91 EME EMF C13H16O4 non-polymer 0.54 0.47 EMF EMG C46H82N2O10 non-polymer 1.00 0.36 EMG EMH C30H34N4O2 non-polymer 0.00 0.00 EMH EMJ C17H26O4 non-polymer 0.00 0.00 EMJ EMK C52F1H88N5O15S1 non-polymer 1.00 0.28 EMK EML C20H26N8O1S1 non-polymer 0.62 0.10 EML EMM C4H7N1O2 non-polymer 0.43 0.57 EMM EMN C10H23N1O3 non-polymer 0.75 1.00 EMN EMO C15H10O5 non-polymer 0.00 0.00 EMO EMP C8H17N1O3 non-polymer 1.00 0.75 EMP EMQ C25F3H31N4O2 non-polymer 0.20 0.09 EMQ EMR C6H14N2O1 non-polymer 0.00 0.00 EMR EMS C14H20N5O7P1 non-polymer 0.93 0.26 EMS EMT C9H10Hg1O2S1 non-polymer 0.00 0.00 EMT EMU C12H11N5 non-polymer 0.00 0.00 EMU EMV C27H31N1O1S2 non-polymer 0.38 0.06 EMV EMW C20H26N8O2 non-polymer 0.00 0.00 EMW EMZ C7H14O6 non-polymer 1.00 0.92 EMZ EN0 C14F1H21N4O11P3S1 non-polymer 0.21 0.15 EN0 EN1 C9H8O4 non-polymer 0.56 0.54 EN1 EN2 C17F1H18N3O3 non-polymer 0.42 0.38 EN2 EN4 C7H11N1O4 non-polymer 0.00 0.00 EN4 EN5 C27H53N5O4 non-polymer 0.00 0.00 EN5 EN8 C12H17N1O4 non-polymer 0.00 0.00 EN8 ENA C23H27N7O14P2 RNA linking 1.00 0.50 ENA ENB C29H42N4O7 non-polymer 0.75 0.25 ENB ENC C3H6N1 non-polymer 0.00 0.00 ENC END C17H24O7 non-polymer 1.00 0.71 END ENE C22H30O8 non-polymer 1.00 0.57 ENE ENF C41H79N5O5 non-polymer 0.00 0.00 ENF ENG Br1C10H7O5 non-polymer 0.95 0.50 ENG ENH C10Cl6H5N1O2 non-polymer 0.00 0.00 ENH ENJ C12H16N1O11P1S3 non-polymer 1.00 0.36 ENJ ENK C9H9N3O1 non-polymer 0.00 0.00 ENK ENL C8H10O5 non-polymer 1.00 1.00 ENL ENM C27F2H36O3 non-polymer 0.36 0.25 ENM ENN C11Cl2H14N2O3S1 non-polymer 0.00 0.00 ENN ENO C9H8O4 non-polymer 0.56 0.54 ENO ENP C17H24N5O17P3 RNA linking 1.00 0.55 ENP ENQ C17H22N5O14P2 RNA linking 1.00 0.61 ENQ ENS C25Cl1H29N6O4 non-polymer 0.97 0.11 ENS ENT C16H23N3O6S1 non-polymer 0.56 0.19 ENT ENV C14F1H25N2O5 non-polymer 0.65 0.45 ENV ENW C13F1H23N2O6 non-polymer 0.65 0.95 ENW ENX C33Cl2H45N1O11 non-polymer 1.00 0.81 ENX ENY C15H12O5 non-polymer 0.56 0.55 ENY ENZ C15H15N3O1 non-polymer 0.00 0.00 ENZ EO1 C25H23N7O2 non-polymer 0.00 0.00 EO1 EO2 C6H11N1O2 L-peptide linking 0.44 0.89 EO2 EO4 C24H25N7O2 non-polymer 0.00 0.00 EO4 EO5 C28H26N8O4S1 non-polymer 0.00 0.00 EO5 EO7 C10Cl1H13N6O6S1 non-polymer 1.00 0.42 EO7 EO8 C15H9N1O7 non-polymer 0.00 0.00 EO8 EO9 B1C9F2H11N1O4 non-polymer 0.43 0.29 EO9 EOA C9H11N1O1 non-polymer 0.00 0.00 EOA EOB C10H14N2O8P2 non-polymer 0.00 0.00 EOB EOD C18H34O3 non-polymer 0.00 0.00 EOD EOE C6H11N1O2 L-peptide linking 0.00 0.00 EOE EOG C18Cl1H14N5O1 non-polymer 0.50 0.16 EOG EOH C2H6O1 non-polymer 0.00 0.00 EOH EOI C9H16N5O9P3S1 non-polymer 0.00 0.00 EOI EOJ C27Cl1H26N5O1 non-polymer 0.00 0.00 EOJ EOK C13H15N3O2S1 non-polymer 0.00 0.00 EOK EOL C10H12O2 non-polymer 0.31 0.33 EOL EON C14H15N3O5S1 non-polymer 0.00 0.00 EON EOP C6H14N2O8P2 non-polymer 0.00 0.00 EOP EOQ C16Cl1H18N3O4S1 non-polymer 0.64 0.24 EOQ EOS C22Cl1H22N5O2 non-polymer 0.56 0.30 EOS EOT C20H28N4O9S1 non-polymer 0.87 0.79 EOT EOW C11H14N1O5P1 non-polymer 0.00 0.00 EOW EOX C2H6O1 non-polymer 0.00 0.00 EOX EOY C31Cl1H34N5O2 non-polymer 0.56 0.13 EOY EOZ C11H14N2O10P2 non-polymer 0.00 0.00 EOZ EP C26H39N1O6S1 non-polymer 0.38 0.24 EP EP0 C17H28N2O7 non-polymer 0.75 0.31 EP0 EP1 C9H20N2O4S1 non-polymer 0.00 0.00 EP1 EP2 C26H41N5O10 peptide-like 0.64 0.44 EP2 EP4 C12H18N6O3 non-polymer 1.00 0.48 EP4 EP5 C23H26N5O2 non-polymer 0.00 0.00 EP5 EP6 C30H42N8O3 non-polymer 1.00 0.41 EP6 EP7 C22Cl1H22N5O2 non-polymer 0.00 0.00 EP7 EP8 C21H19N3O3 non-polymer 0.00 0.00 EP8 EP9 C30H41N3O7 peptide-like 0.56 0.68 EP9 EPA C20H30O2 non-polymer 0.42 0.82 EPA EPB C27H41N1O6S1 non-polymer 0.38 0.23 EPB EPC C10H16N2O8P2 non-polymer 0.36 0.18 EPC EPD C27H41N1O5S1 non-polymer 0.38 0.24 EPD EPE C8H18N2O4S1 non-polymer 0.00 0.00 EPE EPG C9H16O7 D-saccharide 1.00 0.75 EPG EPH C39H68N1O8P1 non-polymer 0.98 0.84 EPH EPI C7H15N1 non-polymer 0.00 0.00 EPI EPJ C11Cl1H13N2 non-polymer 0.00 0.00 EPJ EPK C16H18N4O1S1 non-polymer 0.36 0.18 EPK EPL C11H17O5P1 non-polymer 0.62 0.41 EPL EPM C21H41N1O3S1 non-polymer 0.00 0.00 EPM EPN C9H11N1O4 non-polymer 0.75 0.36 EPN EPO C4H4O5 non-polymer 0.00 0.00 EPO EPQ C8F1H15N2O2 non-polymer 0.20 0.23 EPQ EPR C15H13N1O3S2 non-polymer 0.38 0.10 EPR EPS C10H13O10P1 non-polymer 0.95 0.29 EPS EPT C13H20O1 non-polymer 0.00 0.00 EPT EPU C20H29N3O19P2 non-polymer 1.00 0.68 EPU EPV C25Cl1H28N5O2 non-polymer 0.56 0.15 EPV EPW C17H30N2O7 non-polymer 0.63 1.00 EPW EPY C19H26N4O10S1 non-polymer 0.83 0.15 EPY EPZ C20H31N3O19P2 non-polymer 1.00 0.68 EPZ EQ1 C23H30N13O14P2 non-polymer 1.00 0.38 EQ1 EQ2 C14H10N2O3 non-polymer 0.62 0.16 EQ2 EQ3 C40H54O2 non-polymer 0.38 0.19 EQ3 EQ4 C13H17N8O7P1 RNA linking 1.00 0.34 EQ4 EQ5 C11H11N1O2 non-polymer 0.00 0.00 EQ5 EQ7 C20Cl3H16N3O4 non-polymer 1.00 0.53 EQ7 EQ8 C19F3H22N4O4S2 non-polymer 0.00 0.00 EQ8 EQA C10F1H7O4 non-polymer 0.94 0.53 EQA EQB C25H38N2O7 non-polymer 0.60 0.88 EQB EQD C18Cl2H16N2O2 non-polymer 0.00 0.00 EQD EQE C24H36N2O7 non-polymer 0.63 0.91 EQE EQG C37H55N7O7 non-polymer 0.43 0.29 EQG EQH C18H21N3O2S1 non-polymer 0.00 0.00 EQH EQI C18H20O2 non-polymer 0.00 0.00 EQI EQJ C14H22N5O7P1 non-polymer 0.50 0.30 EQJ EQM Br1C36H52N5O6 non-polymer 0.38 0.21 EQM EQN C22H25N1O3 non-polymer 0.00 0.00 EQN EQO C29H24O2 non-polymer 0.25 0.06 EQO EQP C10H20N1O9P1 non-polymer 1.00 0.81 EQP EQQ C40H20N14Ru1 non-polymer 0.00 0.00 EQQ EQT C7Cl1H6N3 non-polymer 0.00 0.00 EQT EQU C18H18O2 non-polymer 0.00 0.00 EQU EQV C16H24O10 non-polymer 1.00 0.46 EQV EQW C9Cl1H12N3O1 non-polymer 0.00 0.00 EQW EQY C18F2H11N5O2 non-polymer 0.97 0.15 EQY EQZ C20Cl1H23N4O3 non-polymer 0.50 0.18 EQZ ER2 FE4S4 non-polymer 0.00 0.00 ER2 ER3 Er1 non-polymer 0.00 0.00 ER3 ER4 C25H30N2O3 non-polymer 0.83 0.17 ER4 ER5 C27F3H35N2O4S2 non-polymer 0.00 0.00 ER5 ER7 C14F1H11N4O1 non-polymer 0.62 0.15 ER7 ER8 C23Cl1H28N5O3 non-polymer 0.39 0.16 ER8 ERA C41H75N1O3 non-polymer 0.61 0.53 ERA ERB C37H67N1O12 non-polymer 1.00 0.42 ERB ERC C23H28N2O5S1 non-polymer 0.00 0.00 ERC ERD C15H12O6 non-polymer 0.00 0.00 ERD ERE C7H15N1O3 saccharide 1.00 1.00 ERE ERG C28H44O1 non-polymer 0.38 0.28 ERG ERH C8H10O1 non-polymer 0.00 0.00 ERH ERI C9H16O5 saccharide 1.00 0.79 ERI ERJ C14H14N4O4S1 non-polymer 1.00 0.43 ERJ ERK C27Cl1H28N5O3 non-polymer 0.00 0.00 ERK ERM C33H35N5O5 non-polymer 1.00 0.28 ERM ERN C37H70N2O12 non-polymer 1.00 0.41 ERN ERO C7H6N2O4 non-polymer 1.00 1.00 ERO ERP C24H20N4O4 non-polymer 1.00 0.31 ERP ERS C20H24N6O4 non-polymer 1.00 0.33 ERS ERT C31H37N1O11 non-polymer 1.00 0.40 ERT ERU C22H43N1O1 non-polymer 0.42 0.25 ERU ERW C24Cl1H30N5O3 non-polymer 0.39 0.15 ERW ERY C37H67N1O13 non-polymer 1.00 0.41 ERY ERZ C10H13N5 non-polymer 0.00 0.00 ERZ ES0 C7H7N3O1 non-polymer 0.00 0.00 ES0 ES1 C9H7N1O1 non-polymer 0.00 0.00 ES1 ES2 C8Cl1H6N1O1 non-polymer 0.00 0.00 ES2 ES3 Br1C3H3N2 non-polymer 0.00 0.00 ES3 ES4 C5Cl1H3N4 non-polymer 0.00 0.00 ES4 ES5 C9H8N2 non-polymer 0.00 0.00 ES5 ES6 C6H5N1O3 non-polymer 0.00 0.00 ES6 ES7 C8H9N3 non-polymer 0.00 0.00 ES7 ES8 C15H11N1O3 non-polymer 0.00 0.00 ES8 ES9 C7Cl1H5N2 non-polymer 0.00 0.00 ES9 ESA C2H6O3S1 non-polymer 0.00 0.00 ESA ESB C11H14N2O4 L-peptide linking 0.00 0.00 ESB ESC C6H13N1O2S1 L-peptide linking 0.00 0.00 ESC ESD C4H9N1O2S1 non-polymer 0.00 0.00 ESD ESE C16H22O2 non-polymer 0.00 0.00 ESE ESG C16H24N4O8S1 non-polymer 1.00 0.24 ESG ESH C26Cl1H31N4O1 non-polymer 0.00 0.00 ESH ESI C9H8I1N2S1 non-polymer 0.00 0.00 ESI ESJ C11H8N2O3S2 non-polymer 0.00 0.00 ESJ ESK C27Cl1H28N5O4 non-polymer 0.00 0.00 ESK ESL C18H24O3 non-polymer 0.00 0.00 ESL ESM C19H26O3 non-polymer 0.00 0.00 ESM ESN C29Cl1H32N5O4 non-polymer 0.39 0.31 ESN ESO C18H23O5P1 non-polymer 0.00 0.00 ESO ESP C8H8N3S1 non-polymer 0.00 0.00 ESP ESQ C23Cl1H28N5O3 non-polymer 0.00 0.00 ESQ ESR C18H26O2 non-polymer 0.00 0.00 ESR EST C18H24O2 non-polymer 0.00 0.00 EST ESW C28Cl1H30N5O3 non-polymer 0.38 0.05 ESW ESX C9H9N2S1 non-polymer 0.00 0.00 ESX ESY C32H43N3O8 non-polymer 0.53 0.79 ESY ESZ Br1C18H23O2 non-polymer 0.00 0.00 ESZ ET C21H20N3 non-polymer 0.00 0.00 ET ET0 C12H13N1O3 non-polymer 0.00 0.00 ET0 ET1 C19H19N1O6S1 non-polymer 0.00 0.00 ET1 ET2 C7F1H6N3 non-polymer 0.00 0.00 ET2 ET5 C10H14N4O7S1 non-polymer 0.00 0.00 ET5 ET8 C18H13N3 non-polymer 0.00 0.00 ET8 ET9 C12H18N5O12P3 non-polymer 0.00 0.00 ET9 ETA C2H7N1O1 L-peptide COOH carboxy terminus 0.00 0.00 ETA ETB C20H34N7O16P3 non-polymer 1.00 0.63 ETB ETC C22H24O2 non-polymer 0.00 0.00 ETC ETD C2H2 non-polymer 0.00 0.00 ETD ETE C9H20O5 non-polymer 0.88 1.00 ETE ETF C2F3H3O1 non-polymer 0.00 0.00 ETF ETG C29H41N3O5S1 non-polymer 0.67 0.26 ETG ETH C2H5 non-polymer 0.00 0.00 ETH ETI C2H5I1 non-polymer 0.00 0.00 ETI ETK C23F3H27N2O4S2 non-polymer 0.00 0.00 ETK ETM C5H14N1S1 non-polymer 0.20 0.43 ETM ETN C3H9N1 non-polymer 0.29 1.00 ETN ETO C3H6O2 non-polymer 0.00 0.00 ETO ETP B1C16H14N1O6S3 non-polymer 0.00 0.00 ETP ETQ C17Cl1H25N2O3 non-polymer 0.00 0.00 ETQ ETR C22H33N1O1 non-polymer 0.50 0.38 ETR ETS C10H16N2O4S3 non-polymer 0.00 0.00 ETS ETT C21H27N1O8 non-polymer 1.00 0.73 ETT ETU C24Cl1H30N7O2 non-polymer 0.00 0.00 ETU ETV C8F1H10N3O3S1 non-polymer 1.00 0.50 ETV ETW C29H23N1O6 non-polymer 0.00 0.00 ETW ETX C4H10O2 non-polymer 0.62 1.00 ETX ETY C8H10O1 non-polymer 0.00 0.00 ETY ETZ C4H10O1 non-polymer 0.50 1.00 ETZ EU Eu1 non-polymer 0.00 0.00 EU EU1 C24Cl1H28N3O7S1 non-polymer 0.46 0.25 EU1 EU2 C17Cl1H17N4O2 non-polymer 0.00 0.00 EU2 EU3 Eu1 non-polymer 0.00 0.00 EU3 EU4 C26F3H19N6 non-polymer 0.36 0.11 EU4 EU5 C26Cl1H36N7O4S1 non-polymer 0.00 0.00 EU5 EU7 C12H21N1 non-polymer 0.00 0.00 EU7 EU8 C18H32O40S8 non-polymer 1.00 0.52 EU8 EUB C15H11N3O1S1 non-polymer 0.00 0.00 EUB EUD C15H26 non-polymer 0.38 0.20 EUD EUE C8H8N2O2S2 non-polymer 0.00 0.00 EUE EUG C10H12O2 non-polymer 0.50 0.17 EUG EUH C8F3H5N2S2 non-polymer 0.00 0.00 EUH EUI C21F3H21I1N3O2 non-polymer 0.00 0.00 EUI EUJ C25H49O19P3 non-polymer 1.00 0.55 EUJ EUK C14Cl2H10N2S2 non-polymer 0.00 0.00 EUK EUN C19H15N3O1 non-polymer 0.00 0.00 EUN EUP C4H10N2O3 L-peptide linking 0.00 0.00 EUP EUQ C27Cl1H31N10O2 non-polymer 0.50 0.10 EUQ EUR C19Cl3F1H12N4O3 non-polymer 0.00 0.00 EUR EUS C20H39N5O9S1 saccharide 1.00 0.60 EUS EUT C18F5H17N4O2 non-polymer 0.00 0.00 EUT EUW C28Cl1H29N8O4 non-polymer 0.50 0.10 EUW EUY C19H21N5O5S1 non-polymer 0.46 0.30 EUY EV0 C7H11N3O1 non-polymer 0.00 0.00 EV0 EV1 C20H21N1O4 non-polymer 0.00 0.00 EV1 EV2 C12H14N4 non-polymer 0.00 0.00 EV2 EV3 C10Cl1H12N3O1 non-polymer 0.00 0.00 EV3 EV4 C18Cl1H25N4O1 non-polymer 0.00 0.00 EV4 EV5 C19Cl1H27N4O1 non-polymer 0.00 0.00 EV5 EV6 C22Cl1H29N4O1 non-polymer 0.00 0.00 EV6 EV7 C20H14N2O3 non-polymer 0.00 0.00 EV7 EV8 C23H24N4O4S1 non-polymer 0.60 0.22 EV8 EVA C6H9N1O6 non-polymer 1.00 1.00 EVA EVB C56H48O32S8 non-polymer 0.00 0.00 EVB EVD C8H7N1O3S1 non-polymer 0.00 0.00 EVD EVE C7H7N3O2S1 non-polymer 0.00 0.00 EVE EVF C7H6N2O2S2 non-polymer 0.00 0.00 EVF EVG C4H5N1O3S1 non-polymer 0.00 0.00 EVG EVH C3H5N3O2S1 non-polymer 0.00 0.00 EVH EVI C3H4N2O2S2 non-polymer 0.00 0.00 EVI EVJ C4H5N1O2S2 non-polymer 0.00 0.00 EVJ EVK C21Cl2H22N4O2 non-polymer 0.38 0.45 EVK EVM C11H14N2O8P1 non-polymer 0.93 0.36 EVM EVN C70Cl2H97N1O38 non-polymer 1.00 0.71 EVN EVO C14H10N2O1 non-polymer 0.00 0.00 EVO EVP C29H32O13 non-polymer 1.00 0.29 EVP EVQ C28Cl1H30N5O4 non-polymer 0.00 0.00 EVQ EVS C19H20N2O1 non-polymer 0.50 0.09 EVS EVT C26H46N2O8 non-polymer 0.68 0.53 EVT EVV C30H40N4O11 non-polymer 0.86 0.60 EVV EVW C21H17N3O1S1 non-polymer 0.00 0.00 EVW EVY C20H37N1O3 non-polymer 0.00 0.00 EVY EVZ C22H23N3O3S2 non-polymer 0.60 0.23 EVZ EW1 C28H37N7O1 non-polymer 0.00 0.00 EW1 EW2 C21Cl1H16N5 non-polymer 0.00 0.00 EW2 EW4 C29H39N7O1 non-polymer 0.00 0.00 EW4 EW5 C21H17N5O1 non-polymer 0.00 0.00 EW5 EW8 C19H38O2 non-polymer 0.00 0.00 EW8 EWA B1C11H16N1O5 non-polymer 0.43 0.28 EWA EWB B1C16H19N1O4 non-polymer 0.43 0.23 EWB EWD C16H12N2O3 non-polymer 0.00 0.00 EWD EWE C19H23N5O6P1 non-polymer 0.00 0.00 EWE EWG C10H8N2O2 non-polymer 0.00 0.00 EWG EWH C24Cl1H26N7O1 non-polymer 0.38 0.15 EWH EWJ C20F1H13N2O3 non-polymer 0.00 0.00 EWJ EWK C22H19N3O1S2 non-polymer 0.00 0.00 EWK EWM C16H29N1O3 non-polymer 0.00 0.00 EWM EWN C21F1H21N2O4 non-polymer 0.00 0.00 EWN EWQ C13H15N1O3 non-polymer 0.00 0.00 EWQ EWS Br1C21Cl1H22N3O1 non-polymer 0.00 0.00 EWS EWT C15Cl2H11N3O1S1 non-polymer 0.00 0.00 EWT EWV C20H18N1O4 non-polymer 0.00 0.00 EWV EWW C13Cl1H12N3O4S2 non-polymer 0.00 0.00 EWW EWY C13H13N3O4S2 non-polymer 0.00 0.00 EWY EWZ C16Cl1H18N3O4S2 non-polymer 0.38 0.08 EWZ EX1 C33H42N8O3 non-polymer 0.36 0.09 EX1 EX4 C29F4H33N7O1 non-polymer 0.00 0.00 EX4 EX5 C24H28N2O6 non-polymer 0.97 0.12 EX5 EX7 C15Cl1H13N2O1 non-polymer 0.00 0.00 EX7 EX8 C5F1H8N1O2 non-polymer 1.00 0.89 EX8 EXA C17H27N4O9P1 peptide linking 0.93 0.19 EXA EXB C10H10N2O2 non-polymer 0.00 0.00 EXB EXC C21H26N4O9P1 DNA linking 1.00 0.26 EXC EXD C8F3H5N2O1 non-polymer 0.00 0.00 EXD EXE C24F1H31N4O4S1 non-polymer 1.00 0.38 EXE EXG C13H11N3 non-polymer 0.00 0.00 EXG EXH C24F1H31N4O4S1 non-polymer 1.00 0.38 EXH EXI C17H25N5 non-polymer 0.30 0.27 EXI EXJ C15Cl1H13N6O1 non-polymer 0.00 0.00 EXJ EXM C20H24O2 non-polymer 0.00 0.00 EXM EXN C20H21N2O1 non-polymer 0.00 0.00 EXN EXO C7H12O4 non-polymer 0.00 0.00 EXO EXP Br1C13H12N5O1 non-polymer 0.00 0.00 EXP EXQ C21H23N2S1 non-polymer 0.00 0.00 EXQ EXS C15H21N3O4 non-polymer 0.65 0.45 EXS EXT C10H16N2O9P2 non-polymer 0.50 0.22 EXT EXV C19H18N2O3 non-polymer 0.00 0.00 EXV EXW C20F1H31 non-polymer 0.38 0.14 EXW EXX Br4C12H10N2O3 non-polymer 1.00 0.43 EXX EXY C8H15N1O3 L-peptide linking 0.00 0.00 EXY EY2 Br1C16H18N2 non-polymer 0.00 0.00 EY2 EY4 C21H32O3 non-polymer 0.00 0.00 EY4 EY5 C36H65N1O12 non-polymer 1.00 0.43 EY5 EY7 C12H12N2O3 non-polymer 0.00 0.00 EY7 EY8 C18F1H16N3O6S1 non-polymer 0.00 0.00 EY8 EYA C12H12N2O3 non-polymer 0.00 0.00 EYA EYB C19H20N3O1 non-polymer 0.00 0.00 EYB EYC C18Cl2H14N2O8S2 non-polymer 0.00 0.03 EYC EYE C21H23N2S1 non-polymer 0.00 0.00 EYE EYG C16H21N3O5S1 L-peptide linking 0.00 0.00 EYG EYH C28Cl2H27N5O3 non-polymer 0.36 0.11 EYH EYJ C10H9N1O2S1 non-polymer 0.00 0.00 EYJ EYK C10H14O2 non-polymer 0.38 0.17 EYK EYM C12H12N2O3 non-polymer 0.00 0.00 EYM EYN C24F1H26N3O5 non-polymer 0.00 0.00 EYN EYP C14H12N2O4S2 non-polymer 0.00 0.00 EYP EYQ C25H31N7O2 non-polymer 0.00 0.00 EYQ EYS C3H8N1O1S1Se1 L-peptide linking 0.00 0.00 EYS EYV C9H7N1O2S1 non-polymer 0.00 0.00 EYV EYW C14H24N4O2S1 non-polymer 0.00 0.00 EYW EYY C12H11N1O2 non-polymer 0.00 0.00 EYY EYZ C16H22N2O5S1 non-polymer 0.00 0.00 EYZ EZ1 C9H11N1O2S1Se1 non-polymer 0.42 0.21 EZ1 EZ2 C22H21N5O2 non-polymer 0.00 0.00 EZ2 EZ4 C5H9N1O6 non-polymer 0.98 0.92 EZ4 EZ5 C34H55N1O10 non-polymer 1.00 0.51 EZ5 EZ7 C28H27N9O3 non-polymer 0.00 0.00 EZ7 EZ8 C35Cl1H48N6O10 non-polymer 1.00 0.48 EZ8 EZA C39F2H52N6O8 non-polymer 0.38 0.13 EZA EZB C18H13N3O1 non-polymer 0.00 0.00 EZB EZE C14H12O4 non-polymer 0.25 0.11 EZE EZG C15H19N5O5 non-polymer 0.00 0.00 EZG EZH C14H12O4 non-polymer 0.25 0.11 EZH EZK C19Cl1H22N7O1 non-polymer 0.00 0.00 EZK EZL C9H10N2O3S2 non-polymer 0.00 0.00 EZL EZM C15H24N4O5 non-polymer 0.00 0.00 EZM EZN C15Cl1H13N2 non-polymer 0.00 0.00 EZN EZP C15H19N5O5 non-polymer 0.00 0.00 EZP EZR C26H27N7O1 non-polymer 0.00 0.00 EZR EZS C13F1H13N2O1 non-polymer 0.62 0.18 EZS EZT C27F3H29O2 non-polymer 0.25 0.28 EZT EZV C25H25N7 non-polymer 0.00 0.00 EZV EZW C27H18N2O3 non-polymer 0.00 0.00 EZW EZY C9H10N2O4 non-polymer 0.00 0.00 EZY EZZ C19H19N3O2 non-polymer 0.20 0.12 EZZ F F1 non-polymer 0.00 0.00 F F01 C9F1H12N3O5 non-polymer 1.00 0.94 F01 F02 C11H17N3O1 non-polymer 0.00 0.00 F02 F03 C10H9N3O2 non-polymer 0.00 0.00 F03 F04 C11H12N2O1 non-polymer 0.00 0.00 F04 F05 C8H8N2 non-polymer 0.00 0.00 F05 F06 C8Cl1H9N2S1 non-polymer 0.00 0.00 F06 F07 C10H6N2S1 non-polymer 0.00 0.00 F07 F08 C17H12O4 non-polymer 0.97 0.19 F08 F09 C9H20O1 non-polymer 0.00 0.00 F09 F0A C27H33N1O4 non-polymer 0.00 0.00 F0A F0B C33H28N4O2 non-polymer 0.00 0.00 F0B F0D Br1C28H34N1O2 non-polymer 0.00 0.00 F0D F0E C46H55N11O5 non-polymer 0.00 0.00 F0E F0H C35Cl1F1H34N6O4 non-polymer 0.00 0.04 F0H F0J C8H10O3 non-polymer 0.00 0.00 F0J F0K C31H28N6O2 non-polymer 0.00 0.00 F0K F0M C7H7N1O4 non-polymer 0.00 0.00 F0M F0N C20H19N3O1 non-polymer 0.00 0.00 F0N F0P C24H32N8O6 non-polymer 1.00 0.26 F0P F0Q Br1C23H27N8O2 non-polymer 0.00 0.00 F0Q F0S C29F1H27N6O5 non-polymer 0.00 0.00 F0S F0T C16H23N3O3 non-polymer 0.61 0.32 F0T F0V C20Cl1H19N5 non-polymer 0.00 0.00 F0V F0W C15H21N7O3 non-polymer 0.61 0.28 F0W F0Y C24H28N6O2 non-polymer 0.00 0.00 F0Y F0Z C10H12N2S1 non-polymer 0.00 0.00 F0Z F10 C18F1H14N3O1 non-polymer 0.00 0.00 F10 F11 C31H36N4 non-polymer 0.00 0.00 F11 F12 C7H7N1O3S1 non-polymer 0.00 0.00 F12 F13 C14F1H10N5O1 non-polymer 0.00 0.00 F13 F14 C21H21N5O3 non-polymer 0.00 0.00 F14 F15 C15H30O2 non-polymer 0.00 0.00 F15 F16 C9H7N1O4S1 non-polymer 0.00 0.00 F16 F17 C32H29N5O9S2 non-polymer 0.00 0.00 F17 F18 C9H10N6O1 non-polymer 1.00 0.50 F18 F19 C12H14N1O6P1S1 non-polymer 0.00 0.00 F19 F1A C9H13N1O2S1 non-polymer 0.00 0.00 F1A F1B C23H25N3O2 non-polymer 0.62 0.11 F1B F1C C23H20N2O4 non-polymer 0.00 0.00 F1C F1D C22H25N7O4 non-polymer 0.00 0.00 F1D F1E C16H22N6O3 non-polymer 0.61 0.28 F1E F1G C10F3H10N3O1S2 non-polymer 0.00 0.00 F1G F1H C16H24N2O1S1 non-polymer 0.00 0.00 F1H F1I C18H28N2O3S1 non-polymer 0.00 0.00 F1I F1J C14F1H20N3O1S1 non-polymer 0.00 0.00 F1J F1K C15F1H22N3O1S1 non-polymer 0.00 0.00 F1K F1L Br1C18H27N2O3S1 non-polymer 0.00 0.00 F1L F1M C24Cl1H32N3O6S1 non-polymer 0.58 0.11 F1M F1N C25Cl1H34N3O6S1 non-polymer 0.58 0.11 F1N F1P C6H13O9P1 saccharide 1.00 0.75 F1P F1Q C14H19N7O3 non-polymer 0.61 0.29 F1Q F1S C20Cl1H23N8O3S1 non-polymer 0.00 0.00 F1S F1T C14F3H11N4O1 non-polymer 0.00 0.00 F1T F1V C16H22N2O2 non-polymer 0.38 0.10 F1V F1X C6H13O9P1 D-saccharide 1.00 0.75 F1X F1Y C17H18N4O2 non-polymer 0.00 0.00 F1Y F1Z C15H19N3O3 non-polymer 0.61 0.33 F1Z F20 C28H28N4O6S1 non-polymer 0.00 0.00 F20 F21 C14F1H19N2O2S2 non-polymer 0.00 0.00 F21 F22 C22H32O2 non-polymer 0.42 0.88 F22 F23 C23H46O2 non-polymer 0.00 0.00 F23 F24 C18H30O5 non-polymer 0.75 0.74 F24 F25 C24F3H27N4O1 non-polymer 0.00 0.00 F25 F27 C24H18N2O4 non-polymer 0.00 0.00 F27 F29 C21H17N7 non-polymer 0.36 0.14 F29 F2A C11H18N5O11P3 non-polymer 1.00 0.30 F2A F2B C14F2H12N2O3S1 non-polymer 0.00 0.00 F2B F2C C22H22N2O4 non-polymer 0.00 0.00 F2C F2E Br1C24H32N5O4 non-polymer 0.75 0.15 F2E F2F C9F2H9N1O2 L-peptide linking 0.00 0.00 F2F F2G C21H45N3O7 non-polymer 0.68 0.90 F2G F2H C35H22N4O15S4 non-polymer 0.00 0.00 F2H F2I C32F2H38I1N3O3 non-polymer 0.00 0.00 F2I F2J C18H20N4S1 non-polymer 0.00 0.00 F2J F2K C14Cl1H9N4O3 non-polymer 1.00 0.55 F2K F2M C9H13N1O1 non-polymer 0.50 0.45 F2M F2N C36H43N9O16P2 non-polymer 1.00 0.35 F2N F2O FE2O1 non-polymer 0.00 0.00 F2O F2P C6H16O12P2 non-polymer 1.00 0.60 F2P F2R C21H35N9O15P2 non-polymer 1.00 0.70 F2R F2S C34H44N8O3 non-polymer 0.00 0.00 F2S F2T C9F1H12N2O7P1S1 RNA linking 1.00 0.43 F2T F2U C11F2H10N2O5 non-polymer 1.00 0.45 F2U F2W C12H18N1O2 non-polymer 0.00 0.00 F2W F2Y C9F2H9N1O3 L-peptide linking 0.00 0.00 F2Y F2Z C11H13N1O3 non-polymer 0.00 0.00 F2Z F31 C9H11N1O2 non-polymer 0.62 0.25 F31 F32 C25H21N5O3S2 non-polymer 0.00 0.00 F32 F33 C17H13N3O3 non-polymer 0.00 0.00 F33 F34 C8H16N2O4 non-polymer 0.00 0.00 F34 F35 C18H14N4O3 non-polymer 0.00 0.00 F35 F36 C16H12N2O2 non-polymer 0.62 0.15 F36 F37 C18H14N4O3 non-polymer 1.00 0.44 F37 F38 C15H13N3O3S1 non-polymer 0.00 0.00 F38 F3A C11F2H16N5O11P3 non-polymer 1.00 0.28 F3A F3B C6Cl3F3 non-polymer 0.00 0.00 F3B F3C C10F1H17N3O12P3 non-polymer 1.00 0.31 F3C F3D C31H36N4O2 non-polymer 0.20 0.08 F3D F3E C10H9N3 non-polymer 0.00 0.00 F3E F3F C16F3H8N3O2S1 non-polymer 0.17 0.28 F3F F3H C11F1H16N2O8P1 DNA linking 1.00 0.78 F3H F3J C34H42N8O3 non-polymer 0.00 0.00 F3J F3K Br1C38H21N12Ru1 non-polymer 0.00 0.00 F3K F3M C6F3H10N1O3 L-peptide linking 0.62 0.77 F3M F3N C19H24N7O7P1 RNA linking 1.00 0.29 F3N F3O C19H23N6O8P1 RNA linking 1.00 0.29 F3O F3P C10F1H23O7P2 non-polymer 0.00 0.00 F3P F3Q C43H42N4O6 non-polymer 0.00 0.00 F3Q F3S FE3S4 non-polymer 0.00 0.00 F3S F3T C5F3H8N1O3 L-peptide linking 0.55 0.75 F3T F3V C3H7N1O1 non-polymer 0.00 0.00 F3V F3W C23H21N5 non-polymer 0.17 0.11 F3W F3Z C33H33N9O2 non-polymer 0.00 0.00 F3Z F40 C14H10N2O1 non-polymer 0.00 0.00 F40 F41 C14H18N2O3 non-polymer 0.00 0.00 F41 F42 C29H36N5O18P1 non-polymer 1.00 0.66 F42 F43 C42H51N6Ni1O13 non-polymer 0.00 0.00 F43 F44 C13H14N2 non-polymer 0.00 0.00 F44 F45 C18F1H12N1O4 non-polymer 0.00 0.00 F45 F46 C33F1H30N3O5 non-polymer 0.00 0.00 F46 F47 C17F1H12N5O1 non-polymer 0.00 0.00 F47 F48 C21H21N5O1 non-polymer 0.00 0.00 F48 F49 Br4C14H10N2O5 non-polymer 0.00 0.00 F49 F4A C12H10N6O1 non-polymer 0.00 0.00 F4A F4B C21H19N5O1 non-polymer 0.25 0.26 F4B F4C C24F4H16N4O2 non-polymer 0.00 0.00 F4C F4D C25F1H21N6O4S1 non-polymer 1.00 0.24 F4D F4E C8H7N1O3 non-polymer 0.97 0.33 F4E F4G C13H10N4O1 non-polymer 0.00 0.00 F4G F4H C11F1H16N2O8P1 DNA linking 1.00 0.78 F4H F4J C13H8N6O1 non-polymer 0.00 0.00 F4J F4K C11H11N1O1 non-polymer 0.00 0.00 F4K F4M C31H45N6O17P1 non-polymer 1.00 0.55 F4M F4N Br1C16H14N5O4S1 non-polymer 0.33 0.15 F4N F4P C20F2H19N5O1 non-polymer 0.00 0.00 F4P F4Q C13H16N5O7P1 DNA linking 1.00 0.42 F4Q F4S FE4S3 non-polymer 0.00 0.00 F4S F4T C21H26N2O5S1 non-polymer 0.97 0.14 F4T F4W C12H12N2O3S1 non-polymer 0.00 0.00 F4W F4Z C5Cl3H2N1O1 non-polymer 0.00 0.00 F4Z F50 C2H4O3 non-polymer 0.00 0.00 F50 F51 C22H16N2O2 non-polymer 0.00 0.00 F51 F52 C8Cl3H5O3 non-polymer 0.00 0.00 F52 F53 C30H42N2O8S1 non-polymer 0.00 0.00 F53 F54 C23Cl1F1H16N2O2 non-polymer 0.00 0.00 F54 F55 C14Cl1H17N2O7 non-polymer 1.00 0.62 F55 F57 C31H61O8P1 non-polymer 0.98 0.35 F57 F58 C14H24N2O7 non-polymer 1.00 0.65 F58 F59 C20H22N2O7 non-polymer 1.00 0.52 F59 F5B C6F5H1 non-polymer 0.00 0.00 F5B F5C C9F5H3O2 non-polymer 0.44 0.38 F5C F5D C20H32N7O15P3S1 non-polymer 1.00 0.35 F5D F5E C28H40N4O2S1 non-polymer 0.00 0.00 F5E F5G C18H28N4O16P2 non-polymer 1.00 0.65 F5G F5H C12F1H18N2O8P1 DNA linking 1.00 0.79 F5H F5J C17H18N4O4 non-polymer 1.00 0.44 F5J F5M C24H13N1O7 non-polymer 0.00 0.00 F5M F5N C15H13N3O1 non-polymer 0.00 0.00 F5N F5P C17H28N4O15P2 non-polymer 1.00 0.63 F5P F5Q C29H38N4O2S1 non-polymer 0.00 0.00 F5Q F5S C26H27N1O7 non-polymer 0.00 0.00 F5S F5V C21H20N4O3S1 non-polymer 0.00 0.00 F5V F5Y C23H23N3O4S1 non-polymer 0.00 0.00 F5Y F5Z C29H39N3O2S1 non-polymer 0.00 0.00 F5Z F60 C8H7N1O1 non-polymer 0.00 0.00 F60 F61 C35H69N1O9 non-polymer 1.00 0.47 F61 F62 C29H31N7O3 non-polymer 0.38 0.13 F62 F63 C11H12N2O2 non-polymer 0.00 0.00 F63 F64 C24Cl1H28N3O7S1 non-polymer 0.46 0.25 F64 F65 C30H43N3O4S1 non-polymer 0.97 0.11 F65 F67 C13H12N4O1 non-polymer 0.00 0.00 F67 F68 C15H20N2O7 non-polymer 1.00 0.62 F68 F69 C11H10O1S1 non-polymer 0.00 0.00 F69 F6A C20F3H14N1O1 non-polymer 0.00 0.00 F6A F6B C14F2H12N2O3S1 non-polymer 0.00 0.00 F6B F6D C24Cl1H25N8O1 non-polymer 0.00 0.00 F6D F6E C25H28N4O2 non-polymer 0.00 0.00 F6E F6F C10F3H11N1O6P1 non-polymer 0.57 0.29 F6F F6G C8H17N4O13P3 non-polymer 1.00 0.32 F6G F6H C12F1H18N2O8P1 DNA linking 1.00 0.79 F6H F6J C24H22N2O2 non-polymer 0.00 0.00 F6J F6K C16Cl1H24N1O4 non-polymer 1.00 0.68 F6K F6M C29H38N8O2 non-polymer 0.50 0.38 F6M F6N C5H6N2O3 peptide linking 0.00 0.00 F6N F6P C6H13O9P1 saccharide 1.00 0.75 F6P F6Q C15Cl2H15N3O3Pd1S1 non-polymer 0.00 0.00 F6Q F6R C6H13O9P1 non-polymer 1.00 0.75 F6R F6T C18F2H17N3O2 non-polymer 0.00 0.00 F6T F6W C14H15N1O2S2 non-polymer 0.00 0.00 F6W F6Y C21H12O7 non-polymer 0.00 0.00 F6Y F6Z C21H12O7 non-polymer 0.00 0.00 F6Z F70 C18H11N1O4 non-polymer 0.50 0.22 F70 F71 C29H33N3O6S2 non-polymer 0.00 0.00 F71 F72 C31H35N3O5S2 non-polymer 0.00 0.00 F72 F74 C10Cl1H13N5O7P1 DNA linking 1.00 0.38 F74 F76 C23H23N3O5S1 non-polymer 0.80 0.22 F76 F77 C16F1H16N1O4S1 non-polymer 0.00 0.00 F77 F78 C33H36N2O6S1 non-polymer 0.00 0.00 F78 F79 C17F1H19N2O5S1 non-polymer 0.00 0.00 F79 F7A C20F3H14N1O2 non-polymer 0.00 0.00 F7A F7B C9Cl1H7O1S1 non-polymer 0.00 0.00 F7B F7D C19F2H15N5O2 non-polymer 0.00 0.00 F7D F7E C16H23N5O15P2 non-polymer 1.00 0.55 F7E F7H C13H17N3O4 DNA linking 1.00 0.55 F7H F7J C29H32N4O2 non-polymer 0.00 0.00 F7J F7K C13H15N5O4 DNA linking 1.00 0.50 F7K F7L C14F1H20N1O2 non-polymer 0.35 0.33 F7L F7M C28H31N5O2 non-polymer 0.00 0.00 F7M F7N C24F3H35N3O3 non-polymer 0.00 0.00 F7N F7P C16H22N2O3 L-peptide linking 0.58 0.19 F7P F7Q C9H11N1O5 L-peptide linking 0.00 0.00 F7Q F7S C7H15N1O3 L-peptide linking 0.65 0.91 F7S F7T C15Cl2H15N3O3Pt1S1 non-polymer 0.00 0.00 F7T F7V C6H11N1O2 L-peptide linking 0.50 1.00 F7V F7W C11F1H11N2O2 L-peptide linking 0.00 0.00 F7W F81 Br1C7H7O2 non-polymer 0.00 0.00 F81 F82 C25H27N5O5 non-polymer 0.36 0.11 F82 F83 C16Cl1H17N2O3S1 non-polymer 0.00 0.00 F83 F85 C18H26N2O7 non-polymer 1.00 0.70 F85 F87 C21F2H23N5O2 non-polymer 0.00 0.00 F87 F88 C23H23N5O4 non-polymer 0.00 0.00 F88 F89 C27H24N4O6 non-polymer 0.68 0.27 F89 F8A C21F3H18N1O2 non-polymer 0.00 0.00 F8A F8B C23H24N6O4 non-polymer 0.00 0.00 F8B F8D C13Cl1H14N1O3 non-polymer 0.00 0.00 F8D F8E Br1C14H11N4O2 non-polymer 0.97 0.19 F8E F8G C32H48N7O20P3S1 non-polymer 1.00 0.37 F8G F8H C24F1H26N7O3 non-polymer 0.75 0.14 F8H F8J C30H39N7O1S1 non-polymer 0.36 0.10 F8J F8K C23H27N2O2 non-polymer 0.20 0.11 F8K F8M C18H19N3O4 non-polymer 1.00 0.56 F8M F8N C26H31N3O3 non-polymer 0.00 0.00 F8N F8P C19F2H16N2O4 non-polymer 1.00 0.52 F8P F8Q C23F1H26N2O2 non-polymer 0.20 0.11 F8Q F8S C18H16N2O6S1 non-polymer 1.00 0.52 F8S F8T C22H25N2O1 non-polymer 0.20 0.12 F8T F8V C35F1H35N8O2S1 non-polymer 0.00 0.00 F8V F8W C34H50N6O11 non-polymer 0.00 0.00 F8W F8Y C18F2H17N5O2 non-polymer 0.00 0.00 F8Y F8Z C32H38N4O7 non-polymer 0.50 0.12 F8Z F90 C8Cl1H9N2S1 non-polymer 0.00 0.00 F90 F91 C14H14N2O2 non-polymer 0.00 0.00 F91 F92 C19F1H20N5O1 non-polymer 0.00 0.00 F92 F94 C15H10O4 non-polymer 0.00 0.00 F94 F95 C11H8O6 non-polymer 0.00 0.00 F95 F97 C21F2H26N8 non-polymer 0.36 0.13 F97 F98 C5H12N1O5P1 non-polymer 0.00 0.00 F98 F9A C17F3H17N2O1 non-polymer 0.20 0.13 F9A F9B C16H21N1O4 non-polymer 0.73 0.52 F9B F9D C5H7N1O2 D-peptide linking 0.44 0.88 F9D F9E C14H22N6O5 non-polymer 1.00 0.52 F9E F9F C9F3H11N1O7P1S1 non-polymer 0.00 0.00 F9F F9G Br1C7H7O2 non-polymer 0.00 0.00 F9G F9J C18F2H20N8O2 non-polymer 1.00 0.30 F9J F9K C42F2H51N7O9S1 non-polymer 0.30 0.08 F9K F9N C23H33N7O3S1 non-polymer 0.20 0.09 F9N F9P C7H13N1O2 non-polymer 0.00 0.00 F9P F9Q C15Cl1F1H11N5 non-polymer 0.00 0.00 F9Q F9S C25H35N1O4 non-polymer 0.58 0.23 F9S F9V C10H10O4 non-polymer 0.54 0.79 F9V F9W C13F2H14O5 non-polymer 0.00 0.00 F9W F9Y C9H6N2 non-polymer 0.00 0.00 F9Y F9Z C21Cl1H20N1O5 non-polymer 0.00 0.00 F9Z FA C19H19N7O6 non-polymer 0.68 0.38 FA FA0 C7F1H6N1O2 non-polymer 0.00 0.00 FA0 FA1 C7H10O5 non-polymer 0.00 0.00 FA1 FA2 C9H12N5O6P1 RNA linking 1.00 0.38 FA2 FA3 C7F1H9O5 non-polymer 0.00 0.00 FA3 FA4 C24H42N6O3 non-polymer 0.00 0.00 FA4 FA5 C19H23N6O8P1 RNA linking 1.00 0.50 FA5 FA6 C7H11N1O6 non-polymer 0.00 0.00 FA6 FA7 C9H14O2 non-polymer 0.50 0.82 FA7 FA8 C27H35N9O15P2 non-polymer 1.00 0.42 FA8 FA9 C36H43N9O16P2 non-polymer 1.00 0.35 FA9 FAA C34H39N9O16P2 non-polymer 1.00 0.36 FAA FAB C31H39N9O16P2 non-polymer 1.00 0.38 FAB FAC C3F6H2O2 non-polymer 0.50 0.45 FAC FAD C27H33N9O15P2 non-polymer 1.00 0.42 FAD FAE C27H34N9O15P2 non-polymer 1.00 0.42 FAE FAF C17H24N2O3 non-polymer 0.39 0.68 FAF FAG C27H28N5O15P1 DNA linking 1.00 0.58 FAG FAH C2F1H3O2 non-polymer 0.00 0.00 FAH FAI C10H15N4O9P1 RNA linking 1.00 0.42 FAI FAJ C36H43N9O16P2 non-polymer 1.00 0.37 FAJ FAK C8F3H13N2O3 L-peptide linking 0.00 0.00 FAK FAL C21Cl2H23N5O2 non-polymer 0.61 0.23 FAL FAM C23F1H38N8O17P3 non-polymer 1.00 0.44 FAM FAN C7H7N1O1 non-polymer 0.00 0.00 FAN FAO C27H37N9O15P2 non-polymer 1.00 0.42 FAO FAP C21F2H23N5O2 non-polymer 0.61 0.23 FAP FAQ C29H42N7O17P3S1 non-polymer 1.00 0.40 FAQ FAR C15H26 non-polymer 0.50 1.00 FAR FAS C27H33N9O15P2 non-polymer 1.00 0.42 FAS FAT C16H32O2 non-polymer 0.00 0.00 FAT FAV C19Cl1H14N1O2S1 non-polymer 0.50 0.17 FAV FAW C31H60O5 non-polymer 1.00 0.39 FAW FAX C11H18N5O6P1 DNA linking 1.00 0.74 FAX FAY C27H31N9O16P2 non-polymer 1.00 0.41 FAY FAZ C22Cl1H19N2O3S1 non-polymer 0.50 0.14 FAZ FB C13H18N2O8 non-polymer 0.75 0.35 FB FB0 C27H49N9O15P2 non-polymer 1.00 0.58 FB0 FB1 C6Cl1H6N1O2S1 non-polymer 0.00 0.00 FB1 FB2 C6H7N1O2S1 non-polymer 0.00 0.00 FB2 FB4 C12Cl2H9N1O2 non-polymer 0.00 0.00 FB4 FB5 B1C7F2H14N1O4 L-peptide linking 0.93 0.27 FB5 FB6 B1C7H16N1O4 L-peptide linking 0.93 0.62 FB6 FB7 C19F3H22N5O2 non-polymer 0.00 0.00 FB7 FB8 C18H21N5O2S1 non-polymer 0.36 0.15 FB8 FBA C7F1H9N1 non-polymer 0.00 0.00 FBA FBB C7F1H5N2S1 non-polymer 0.00 0.00 FBB FBC C13F2H8O2 non-polymer 0.00 0.00 FBC FBD C16F1H19N2O7S1 non-polymer 0.68 0.67 FBD FBE C5H9N1O2 peptide-like 0.67 0.62 FBE FBF C8F3H7N2 non-polymer 0.00 0.00 FBF FBG C9F1H7O4 non-polymer 0.00 0.00 FBG FBI C22F1H30N3O6S1 non-polymer 0.20 0.12 FBI FBJ C6H9N1O2 non-polymer 0.00 0.00 FBJ FBK C18H13N1O3 non-polymer 0.00 0.00 FBK FBL C21Cl2H23N5O2 non-polymer 0.61 0.23 FBL FBM C7H11N1O2 non-polymer 0.00 0.00 FBM FBN C20H20N10O8 non-polymer 1.00 0.26 FBN FBO C23H30N4O5 non-polymer 0.00 0.00 FBO FBP C6H14O12P2 saccharide 1.00 0.60 FBP FBQ C20F4H18N2O2S1 non-polymer 0.00 0.00 FBQ FBR Br1C17H19O2 non-polymer 0.00 0.00 FBR FBS C6F1H6N1O2S1 non-polymer 0.00 0.00 FBS FBT C6F2H5N1O2S1 non-polymer 0.00 0.00 FBT FBU C6F2H5N1O2S1 non-polymer 0.00 0.00 FBU FBV C6F1H6N1O2S1 non-polymer 0.00 0.00 FBV FBW C6F1H6N1O2S1 non-polymer 0.00 0.00 FBW FBY C18F2H21N5O2 non-polymer 0.00 0.00 FBY FBZ C10H12O2 non-polymer 0.00 0.00 FBZ FC0 C10H11N1O4 L-peptide COOH carboxy terminus 0.00 0.00 FC0 FC1 C14H17N1O2S1 non-polymer 0.50 0.33 FC1 FC2 C11Cl2H6O3 non-polymer 0.00 0.00 FC2 FC3 C12F3H7O3 non-polymer 0.00 0.00 FC3 FC4 C20Cl1H16N5O4S2 non-polymer 0.00 0.00 FC4 FC5 C9H6O2S1 non-polymer 0.00 0.00 FC5 FC6 C6Fe1N6 non-polymer 0.00 0.23 FC6 FC7 C32H50O9 non-polymer 1.00 0.44 FC7 FC8 C19Cl1H24N7 non-polymer 0.00 0.00 FC8 FC9 C30H22N6O7S2 non-polymer 0.00 0.00 FC9 FCA C6H12O5 D-saccharide 1.00 1.00 FCA FCB C6H12O5 D-saccharide 1.00 1.00 FCB FCD C11Cl1H7O3 non-polymer 0.00 0.00 FCD FCE C27Fe1H42N9O12 non-polymer 0.00 0.00 FCE FCF C15H14N4O6 non-polymer 0.64 0.24 FCF FCG C30H43N9O16P2 non-polymer 1.00 0.40 FCG FCH C17H28N2O1 non-polymer 0.00 0.00 FCH FCI C28Fe1H44N9O13 non-polymer 0.00 0.00 FCI FCJ C11H18N5O11P3 non-polymer 1.00 0.30 FCJ FCK C16H18N4O5 non-polymer 0.50 0.24 FCK FCL C9Cl1H10N1O2 L-peptide linking 0.00 0.00 FCL FCM C30F1H26N1O7 non-polymer 0.62 0.08 FCM FCN C3H7O4P1 non-polymer 0.00 0.00 FCN FCO C3Fe1N2O1 non-polymer 0.00 0.29 FCO FCP C21F2H23N5O2 non-polymer 0.61 0.23 FCP FCQ C22H25N7S1 non-polymer 0.00 0.00 FCQ FCR C7F3H5O1 non-polymer 0.00 0.00 FCR FCS C21F2H23N5O2 non-polymer 0.00 0.00 FCS FCT C18F1H31O15 D-saccharide 1.00 0.97 FCT FCV C18F2H13N3O3S1 non-polymer 0.00 0.00 FCV FCW C14H17N1O1 non-polymer 0.00 0.00 FCW FCX C23F1H37N7O18P3 non-polymer 1.00 0.44 FCX FCY C3H7N1O2S1 non-polymer 0.00 0.00 FCY FD1 C26H28N4O5S1 non-polymer 0.00 0.00 FD1 FD2 C27H30N4O5S1 non-polymer 0.60 0.19 FD2 FD3 C24H27N5O3S1 non-polymer 0.00 0.00 FD3 FD4 C26H29N5O4S1 non-polymer 0.00 0.00 FD4 FD5 C42H54N9O21P1S4 non-polymer 1.00 0.13 FD5 FD6 C19Cl1H23N4S1 non-polymer 0.00 0.00 FD6 FD7 C14H22N4O1 non-polymer 0.36 0.21 FD7 FD8 C20F8H9N1O2 non-polymer 0.00 0.00 FD8 FD9 C26H25N5O3 non-polymer 0.00 0.00 FD9 FDA C27H35N9O15P2 non-polymer 1.00 0.42 FDA FDB C7H8N4O1 non-polymer 0.00 0.00 FDB FDC C12Fe2H22O14 non-polymer 0.00 0.00 FDC FDD C32Fe1H32N4O4 non-polymer 0.00 0.00 FDD FDE C30Fe1H28N4O4 non-polymer 0.00 0.00 FDE FDF C15F2H26O7P2 non-polymer 0.62 0.54 FDF FDG C10F1H13N5O8P1 DNA linking 1.00 0.36 FDG FDI C15H20N2O4 non-polymer 0.00 0.00 FDI FDJ C11Cl1H18N2O13P3 non-polymer 1.00 0.57 FDJ FDK C7H12O5 non-polymer 0.00 0.00 FDK FDL C18H23N3O4 L-peptide linking 0.00 0.00 FDL FDM C10F1H14N2O7P1 non-polymer 1.00 0.76 FDM FDN C16F2H12N2O3 non-polymer 0.00 0.00 FDN FDP C6H14O12P2 D-saccharide 1.00 0.60 FDP FDQ C6H14O10P2 D-saccharide 1.00 0.56 FDQ FDR C10H10N2O1S1 non-polymer 0.00 0.00 FDR FDS C20H14O5 non-polymer 0.00 0.00 FDS FDT C10H10N4O3S1 non-polymer 0.00 0.00 FDT FDU C11F1H11N2O5 non-polymer 1.00 0.47 FDU FDV C12H21N2O13P3 non-polymer 1.00 0.57 FDV FDY C11F1H18N2O13P3 non-polymer 1.00 0.57 FDY FDZ C10F3H7N4O2S1 non-polymer 0.00 0.00 FDZ FE Fe1 non-polymer 0.00 0.00 FE FE1 C22H26N8O3 non-polymer 0.60 0.21 FE1 FE2 Fe1 non-polymer 0.00 0.00 FE2 FE3 C9Cl1H10N1O2 non-polymer 0.00 0.00 FE3 FE7 C29H32N4O3S1 non-polymer 0.00 0.00 FE7 FE9 C21Fe1H23N6O13P1S1 non-polymer 1.00 0.23 FE9 FEA Fe2N3O1 non-polymer 0.00 0.00 FEA FEB C27H51N5O7 non-polymer 0.00 0.00 FEB FEC C36Fe1H36N4O8 non-polymer 0.00 0.00 FEC FED C27H35N9O16P2 non-polymer 1.00 0.61 FED FEE C39H77N1O9 non-polymer 1.00 0.43 FEE FEF C20H19N3O4 non-polymer 0.81 0.26 FEF FEG C19H23N6O11P1 non-polymer 1.00 0.27 FEG FEH C8H10O2 non-polymer 0.00 0.00 FEH FEJ C14H21N2O8P1 non-polymer 0.65 0.40 FEJ FEK C7F1H11O4 non-polymer 0.00 0.00 FEK FEL Fe1H6O3 non-polymer 0.00 0.00 FEL FEM C16Fe1H17N1O2 non-polymer 0.00 0.00 FEM FEN C26H33N1O2 non-polymer 0.38 0.14 FEN FEO FE2O1 non-polymer 0.00 0.00 FEO FEP C18F4H20O6P2 non-polymer 0.00 0.00 FEP FEQ C13F1H13N2O8 non-polymer 0.00 0.00 FEQ FER C10H10O4 non-polymer 0.58 0.36 FER FES FE2S2 non-polymer 0.00 0.00 FES FEV C13H17N2O7P1 non-polymer 0.93 0.39 FEV FEW C31F3H31N6O1 non-polymer 0.00 0.05 FEW FEX C32H38N2O3 non-polymer 0.69 0.16 FEX FEZ C22H30O4 non-polymer 0.00 0.00 FEZ FF0 C19H26N2O1 non-polymer 0.00 0.00 FF0 FF1 C30F1H29N6O3 non-polymer 0.00 0.00 FF1 FF2 C9Cl1H6N1O2S1 non-polymer 0.00 0.00 FF2 FF3 C3F2H4N4O2S2 non-polymer 0.00 0.00 FF3 FF4 C10F1H17N3O12P3 non-polymer 1.00 0.31 FF4 FF5 C19H24N4O5S1 non-polymer 0.00 0.00 FF5 FF7 C10Cl1H17N3O12P3 non-polymer 1.00 0.31 FF7 FF8 C22F1H26N1O4 non-polymer 0.46 0.29 FF8 FFA C19H28O2 non-polymer 0.00 0.00 FFA FFB C14F5H9N2O3S1 non-polymer 0.00 0.00 FFB FFC C12F1H21O10 D-saccharide 1.00 0.96 FFC FFD C11F1H14O6P1 DNA linking 0.00 0.00 FFD FFE Fe3H11O13 non-polymer 0.00 0.00 FFE FFF C15F3H25O7P2 non-polymer 0.62 0.52 FFF FFG C32F3H28N7O3 non-polymer 0.00 0.00 FFG FFH C29H45N5O10S1 non-polymer 0.88 0.36 FFH FFJ C10F2H16N3O12P3 non-polymer 1.00 0.30 FFJ FFK C28H49N1O12P2 non-polymer 1.00 0.84 FFK FFM C6H14N1O6P1S1 L-peptide linking 0.67 0.27 FFM FFN C13F1H9N2O1S1 non-polymer 0.00 0.00 FFN FFO C20H23N7O7 non-polymer 0.68 0.35 FFO FFP C6F2H4O1 non-polymer 0.00 0.00 FFP FFQ C3H9O4P1 non-polymer 0.58 0.50 FFQ FFS C19Cl1H15N4O1 non-polymer 0.00 0.00 FFS FFT C15H27O4P1 non-polymer 0.62 0.80 FFT FFV C19Cl1F1H18N4 non-polymer 0.00 0.00 FFV FFW C20Cl1H16N3O4 non-polymer 0.00 0.00 FFW FFX C5F2H8O4 non-polymer 1.00 0.82 FFX FFY C24Cl1F1H25N5 non-polymer 0.00 0.00 FFY FFZ C28H29N3O3 non-polymer 0.36 0.12 FFZ FG1 Br1C18H23N4O7 non-polymer 0.00 0.00 FG1 FG2 C16H15N3O4S1 non-polymer 0.00 0.00 FG2 FG3 C18H17N3O6S1 non-polymer 0.00 0.00 FG3 FG4 C21H17N1O6 non-polymer 0.56 0.25 FG4 FG5 C20H18N2O6S1 non-polymer 0.00 0.00 FG5 FG6 C20H16N2O7S1 non-polymer 0.00 0.00 FG6 FG7 C9H11N1O2 non-polymer 0.75 0.42 FG7 FG8 C15Cl1H12N1O2S1 non-polymer 0.29 0.25 FG8 FG9 C18H22N6O1 non-polymer 0.00 0.00 FG9 FGA C5H9N1O4 D-gamma-peptide, C-delta linking 0.68 1.00 FGA FGD C21H21N5O6 non-polymer 0.68 0.38 FGD FGE C14H12N4O4S2 non-polymer 0.00 0.00 FGE FGF C25H30N8O4 non-polymer 0.50 0.14 FGF FGG C20F1H35O7P2 non-polymer 0.50 0.70 FGG FGH C27H35N3O2 non-polymer 0.00 0.00 FGH FGJ C15H28O5 non-polymer 1.00 0.70 FGJ FGL C3H5N1O4 L-peptide linking 0.70 1.00 FGL FGM C19H38O3 non-polymer 0.00 0.00 FGM FGN C16Cl2H13N1O3 non-polymer 0.29 0.23 FGN FGP C3H8N1O7P1 L-peptide linking 0.76 0.67 FGP FGQ C16F1H12N1O3S1 non-polymer 0.00 0.00 FGQ FGR C8H15N2O9P1 non-polymer 1.00 0.50 FGR FGS C8H18N1O9P1 non-polymer 1.00 0.79 FGS FGT C20H14O4 non-polymer 0.00 0.00 FGT FGV C6H15O15P3 non-polymer 1.00 0.50 FGV FGW C60H76N21O10 non-polymer 0.36 0.04 FGW FGZ C7Cl2H4O3 non-polymer 0.00 0.00 FGZ FH1 C37H50N6O9S1 non-polymer 0.38 0.04 FH1 FH2 C7F1H11O4 non-polymer 0.00 0.00 FH2 FH3 C18Cl1H22N7O1 non-polymer 0.00 0.00 FH3 FH4 C39H54N6O9S1 non-polymer 0.38 0.04 FH4 FH5 C17Cl1H20N7O1 non-polymer 0.00 0.00 FH5 FH7 C6H12N2O4 peptide linking 0.54 0.92 FH7 FH8 C25H23N2O5 non-polymer 0.20 0.09 FH8 FH9 C21H40N4O4 non-polymer 0.00 0.00 FH9 FHA C11F1H17N5O11P3 non-polymer 1.00 0.29 FHA FHB C7F1H5O3 non-polymer 0.00 0.00 FHB FHC C9F1H6O3 non-polymer 0.90 0.31 FHC FHD C36Cl1H49N6O9S1 non-polymer 0.38 0.04 FHD FHE C22H20N4O7 L-peptide linking 0.00 0.00 FHE FHF C19F1H28N3O4 non-polymer 0.45 0.52 FHF FHG C11F1H17N5O12P3 non-polymer 1.00 0.28 FHG FHH C14H18N2O4 non-polymer 0.69 0.30 FHH FHI C13F2H7I1O3 non-polymer 0.00 0.00 FHI FHJ C25H27N1O5 non-polymer 0.50 0.39 FHJ FHK C21H14N2O6S1 non-polymer 0.00 0.00 FHK FHL C11H20N2O5 L-peptide linking 0.64 0.50 FHL FHM C17F4H14N2O5 non-polymer 0.67 0.29 FHM FHN C7H16N1O5 non-polymer 1.00 1.00 FHN FHO C6H12N2O4 L-peptide linking 0.54 0.92 FHO FHP C15H27O4P1 non-polymer 0.62 0.80 FHP FHU C9F1H14N2O10P1 RNA linking 1.00 0.78 FHU FHV C12H16N2O1 non-polymer 0.00 0.00 FHV FHY C20H32N2O13 non-polymer 1.00 0.97 FHY FI0 C15H26N2O1 non-polymer 0.00 0.00 FI0 FI1 C28Cl1H29N4O5S1 non-polymer 0.00 0.00 FI1 FI3 C34Cl2H38N8O4 non-polymer 0.00 0.00 FI3 FI4 C20Cl1F2H16N5O2 non-polymer 0.00 0.00 FI4 FI8 C52Cl2H74O18 non-polymer 1.00 0.43 FI8 FIB C6F5I1 non-polymer 0.00 0.00 FIB FIC C9F1H6N1O2 non-polymer 0.00 0.00 FIC FID C12F1H10N3O4 non-polymer 0.00 0.00 FID FIF C6F1H9O5 non-polymer 1.00 0.92 FIF FIG C13H10N2O4S1 non-polymer 1.00 0.50 FIG FIH C18F1H14N1O4S2 non-polymer 0.00 0.00 FIH FII C17H30N1O5P1 non-polymer 0.62 0.83 FII FIJ C18Cl2H18O4 non-polymer 0.00 0.00 FIJ FIL C15H20N2O4 non-polymer 0.38 0.10 FIL FIN C17H22N1O6P1S1 non-polymer 0.00 0.00 FIN FIO C7F1H14N3O2 L-peptide linking 0.43 0.77 FIO FIP C11F1H13N1O4P1 non-polymer 0.00 0.00 FIP FIR C12F1H10N3O4 non-polymer 0.00 0.00 FIR FIS C12F1H10N3O4 non-polymer 0.00 0.00 FIS FIT C23H36N2O2 non-polymer 0.39 0.19 FIT FIV C11H8O2 non-polymer 0.00 0.00 FIV FIX C6H8O7 D-saccharide 0.97 1.00 FIX FJ1 C10F3H11N2O1 non-polymer 0.00 0.00 FJ1 FJ2 C18Cl1H15N2O5 non-polymer 0.00 0.00 FJ2 FJ3 C12H14N2O3 non-polymer 0.00 0.00 FJ3 FJ4 C15Cl1H13O4 non-polymer 0.00 0.00 FJ4 FJ5 C27H31N3O5 non-polymer 0.00 0.00 FJ5 FJ6 C23H24N2O5 non-polymer 0.00 0.00 FJ6 FJ7 C30F1H31N4O3 non-polymer 0.00 0.00 FJ7 FJA C21H34O4 non-polymer 0.50 0.24 FJA FJD C22Cl1H28N4O3S1 non-polymer 0.20 0.10 FJD FJE C14Cl1F2H8N3O1 non-polymer 0.00 0.00 FJE FJG C30F3H36N3O4S1 non-polymer 0.33 0.15 FJG FJH C27H23N3O4 non-polymer 0.00 0.00 FJH FJI C34F1H31N4O5 non-polymer 0.00 0.00 FJI FJJ C32H52N2O10 non-polymer 1.00 0.48 FJJ FJK C37H41N9O3 non-polymer 0.30 0.18 FJK FJM C36H62N2O10 non-polymer 1.00 0.44 FJM FJN C38H45N10O2 non-polymer 0.00 0.00 FJN FJP C15H27O4P1 non-polymer 0.62 0.80 FJP FJQ C16Cl3H13N2O1S1 non-polymer 0.00 0.00 FJQ FJS C29H23N3O5 non-polymer 0.00 0.00 FJS FJT C18Cl1F1H13N3O4 non-polymer 0.00 0.00 FJT FJV C20H25N7O1S1 non-polymer 0.00 0.00 FJV FJY C29F1H29N4O1 non-polymer 0.00 0.00 FJY FJZ C15H24N4S1 non-polymer 0.00 0.00 FJZ FK1 Br1C8H6N1 non-polymer 0.00 0.00 FK1 FK2 C3H4O3 non-polymer 0.97 1.00 FK2 FK4 C16H26N3O7P1S1 non-polymer 0.62 0.36 FK4 FK5 C44H69N1O12 non-polymer 1.00 0.49 FK5 FK8 C8H9N1O2 non-polymer 0.00 0.00 FK8 FK9 C12H24O6S1 non-polymer 1.00 0.63 FK9 FKA C51H76N2O14 non-polymer 1.00 0.36 FKA FKB C14H19N9O1 non-polymer 0.00 0.00 FKB FKD C9F1H15O9 non-polymer 1.00 0.95 FKD FKE C18H20N2O3S1 non-polymer 0.00 0.00 FKE FKG C16F3H15N4O2 non-polymer 0.00 0.00 FKG FKH C19H20N4O4S1 non-polymer 1.00 0.36 FKH FKI C5F2H7N1O3 non-polymer 0.56 0.73 FKI FKJ C15F3H13N4O3 non-polymer 0.00 0.00 FKJ FKK C18F1H20N3O3S1 non-polymer 0.00 0.00 FKK FKL C24H27N5O3 non-polymer 0.00 0.00 FKL FKM C21H29N3O6S1 non-polymer 0.00 0.00 FKM FKN C18Cl1F2H11N4O3S1 non-polymer 0.00 0.00 FKN FKO C19Cl1F1H12N2O1 non-polymer 0.00 0.00 FKO FKP C30H50N2O7 non-polymer 1.00 0.67 FKP FKQ C18H20N2O4S1 non-polymer 0.00 0.00 FKQ FKS C10F3H21N2O2 non-polymer 0.00 0.00 FKS FKV C16F6H12N4O2 non-polymer 0.00 0.00 FKV FKW C17H14N4O4 non-polymer 0.00 0.00 FKW FKY C24F4H23N5O4 non-polymer 0.00 0.00 FKY FKZ C8H19N1 non-polymer 0.00 0.00 FKZ FL1 C29H23N3O7S2 non-polymer 0.00 0.00 FL1 FL2 C16F1H15O2 non-polymer 0.55 0.37 FL2 FL4 C18F2H12N4O1 non-polymer 0.00 0.00 FL4 FL5 C25H31N8 non-polymer 0.20 0.09 FL5 FL7 C21Cl1F1H23N3O1 non-polymer 0.00 0.00 FL7 FL8 Br2C16H10O4 non-polymer 0.00 0.00 FL8 FL9 Br2C15H8O6 non-polymer 0.21 0.39 FL9 FLA C3F3H4N1O2 L-peptide linking 0.43 0.67 FLA FLB C12F6H12O2 non-polymer 0.69 0.30 FLB FLC C6H5O7 non-polymer 0.74 1.00 FLC FLD C42H48N6O2 non-polymer 0.00 0.00 FLD FLE C11H15N1O4 L-peptide linking 0.50 0.56 FLE FLF C14F3H10N1O2 non-polymer 0.00 0.00 FLF FLG C23H18N2O5S1 non-polymer 0.36 0.13 FLG FLH C1H2O1 non-polymer 0.00 0.00 FLH FLI C35H58O9 non-polymer 0.00 0.00 FLI FLJ C21F1H20N7O2 non-polymer 0.00 0.00 FLJ FLK C6Cl1H12N4O1 non-polymer 0.00 0.00 FLK FLL C30Cl1F1H18N5O4Ru1 non-polymer 0.00 0.00 FLL FLM C7F1H8N1 non-polymer 0.00 0.00 FLM FLN C15H10O2 non-polymer 0.00 0.00 FLN FLO F1 non-polymer 0.00 0.00 FLO FLP C15F1H13O2 non-polymer 0.46 0.44 FLP FLQ C29H28N2O7 non-polymer 0.00 0.00 FLQ FLR C15F1H13O2 non-polymer 0.46 0.44 FLR FLS C18F2H18N4O4S1 non-polymer 0.00 0.00 FLS FLT C12F1H12N1O7 L-peptide linking 0.76 0.38 FLT FLU C20H12O5 non-polymer 0.00 0.00 FLU FLV C10H6O5 non-polymer 0.00 0.00 FLV FLW C19F2H20N4O4 non-polymer 0.59 0.28 FLW FLX C21H26N3O6P1 non-polymer 0.00 0.00 FLX FLY C17F2H16N4O2 non-polymer 0.36 0.16 FLY FLZ C19H20N4O3 non-polymer 0.00 0.00 FLZ FM0 C6F1H13O10P2 non-polymer 0.75 0.53 FM0 FM1 C11H15N5O4 non-polymer 1.00 0.60 FM1 FM2 C11H16N5O4 non-polymer 1.00 0.60 FM2 FM4 C3H8O7P2 non-polymer 0.00 0.00 FM4 FM5 C11Cl2H14N1O5P1 non-polymer 0.00 0.00 FM5 FM6 C16Cl2H16N1O5P1 non-polymer 0.00 0.00 FM6 FM7 C23Cl2F3H20N2O5P1 non-polymer 0.00 0.00 FM7 FM8 C19Cl2H19N4O5P1 non-polymer 0.00 0.00 FM8 FM9 C18F1H18N5O1S1 non-polymer 0.50 0.31 FM9 FMA C31H47N4O11P1 non-polymer 1.00 0.21 FMA FMB C10H12N4O5 non-polymer 1.00 0.63 FMB FMC C10H13N5O4 non-polymer 1.00 0.63 FMC FMD C20F1H20N3O4 non-polymer 0.55 0.29 FMD FME C6H11N1O3S1 L-peptide linking 0.59 0.82 FME FMF C6F2H10O4 non-polymer 1.00 0.83 FMF FMG C11F1H16N5O7P1 DNA linking 1.00 0.36 FMG FMH C10Cl1H9N2O2S1Se1 non-polymer 0.00 0.00 FMH FMI C34Fe1H36N4O5 non-polymer 0.00 0.00 FMI FMJ C14H12N4O1 non-polymer 0.00 0.00 FMJ FMK C18F2H16N8O2 non-polymer 0.00 0.00 FMK FML C15F2H15N5O3S1 non-polymer 0.00 0.00 FML FMM C29Cl1F1H26N4O4S1 non-polymer 0.00 0.00 FMM FMN C17H21N4O9P1 non-polymer 1.00 0.32 FMN FMO C12F3H19O9 saccharide 1.00 0.88 FMO FMP C10H14N5O7P1 non-polymer 1.00 0.52 FMP FMQ C11F1H11N2O1 non-polymer 0.00 0.00 FMQ FMR C4H2O4 non-polymer 0.93 1.00 FMR FMS C1F3H2N1O2S1 non-polymer 0.00 0.00 FMS FMT C1H2O2 non-polymer 0.00 0.00 FMT FMU C10F1H16N2O9P1 RNA linking 1.00 0.78 FMU FMV C28H40O4 non-polymer 0.60 0.22 FMV FMW C24H30N8O1 non-polymer 0.38 0.06 FMW FMX C22H18N2O4 non-polymer 0.00 0.00 FMX FMY C26F1H27N8O2 non-polymer 0.00 0.00 FMY FMZ C19H25N5O5S1 non-polymer 0.00 0.00 FMZ FN1 C10F1H13N2 non-polymer 0.00 0.00 FN1 FN5 C19F1H30N4O14P1 non-polymer 1.00 0.72 FN5 FN8 C17H31N3O7 non-polymer 0.62 0.93 FN8 FNA C16H13N1 non-polymer 0.00 0.00 FNA FNB C19Cl2H19N9O3 non-polymer 0.75 0.30 FNB FND C34H44N8O3 non-polymer 0.00 0.00 FND FNE C3Fe1Ni1O3S1 non-polymer 0.00 0.00 FNE FNF C17H27N3O15P2 non-polymer 1.00 0.81 FNF FNG C13H16N2O9 non-polymer 1.00 0.50 FNG FNH C41H55N5O8 non-polymer 0.39 0.35 FNH FNI C22H15N5O3 non-polymer 0.00 0.00 FNI FNJ C22H22O2 non-polymer 0.00 0.00 FNJ FNK C32H43N9O16P2 non-polymer 1.00 0.37 FNK FNM C17H17N3O1S1 non-polymer 0.00 0.00 FNM FNN C6F1H4N1O3 non-polymer 0.00 0.00 FNN FNP C12F4H10O6P2 non-polymer 0.00 0.00 FNP FNQ C28H27N7O1 non-polymer 0.00 0.00 FNQ FNR C17H23N4O9P1 non-polymer 1.00 0.32 FNR FNS C17H21N4O12P1S1 non-polymer 1.00 0.29 FNS FNT C13Cl1H11N2O4 non-polymer 0.64 0.40 FNT FNU C9F1H13N3O9P1 DNA linking 1.00 0.78 FNU FNV C29F3H30N7O2S1 non-polymer 0.00 0.00 FNV FNX C15H16N6O2 non-polymer 0.00 0.00 FNX FNY C30H52O26 non-polymer 1.00 1.00 FNY FNZ C18F1H15N4O1 non-polymer 0.00 0.00 FNZ FO1 C16H17N3O7 non-polymer 0.97 0.38 FO1 FO2 C16H18N6O1 non-polymer 0.00 0.00 FO2 FO4 C47H94N2O6P1 non-polymer 0.57 0.38 FO4 FO5 C14H14N4O2S1 non-polymer 0.00 0.00 FO5 FO7 Br1C14Cl1F3H9O4S1 non-polymer 0.00 0.00 FO7 FO8 C29H35N7O2 non-polymer 0.00 0.00 FO8 FO9 C8H17N7O2S3 non-polymer 0.00 0.00 FO9 FOA C5H4O3 non-polymer 0.00 0.00 FOA FOB C10H15N2O5P1 non-polymer 0.00 0.00 FOB FOC C6H14O5 non-polymer 0.98 1.00 FOC FOD C12H20N4O3 L-peptide linking 0.00 0.00 FOD FOE C14F1H19N2O3S1 L-peptide linking 0.36 0.19 FOE FOF C15H26O1 non-polymer 0.75 1.00 FOF FOG C12H17N1O3 peptide-like 0.00 0.00 FOG FOH C15H26O1 non-polymer 0.75 1.00 FOH FOI C18H15N3O4 non-polymer 0.97 0.16 FOI FOJ C16F5H8N1O4S1 non-polymer 0.00 0.00 FOJ FOK C22H34O7 non-polymer 1.00 0.90 FOK FOL C19H19N7O6 non-polymer 0.68 0.38 FOL FOM C4H10N1O5P1 non-polymer 0.00 0.00 FOM FON C20H23N7O7 non-polymer 0.68 0.35 FON FOO C11H13N2O7P1 non-polymer 0.93 0.19 FOO FOP C3H10N1O1 non-polymer 0.00 0.00 FOP FOQ C10H15N2O5P1 non-polymer 0.00 0.00 FOQ FOR C1H2O1 non-polymer 0.00 0.00 FOR FOS C9H12N1O5P1 non-polymer 0.00 0.00 FOS FOT C5F1H3N2O4 non-polymer 1.00 0.83 FOT FOU C4F1H7N2O3 non-polymer 1.00 0.90 FOU FOV C13Cl1F4H7N2O4S1 non-polymer 0.00 0.00 FOV FOW C25H26N6O1 non-polymer 0.00 0.00 FOW FOX C11H18N5O7P1 DNA linking 1.00 0.75 FOX FOY C17H16N2O2 non-polymer 0.00 0.00 FOY FOZ C20H23N7O7 non-polymer 0.68 0.35 FOZ FP0 C17H24O5 non-polymer 1.00 0.82 FP0 FP1 C7H10N2O1 non-polymer 0.00 0.00 FP1 FP2 C6F1H5O1 non-polymer 0.00 0.00 FP2 FP3 C17Cl1H11N4O2 non-polymer 0.00 0.00 FP3 FP4 C21H18N6O2 non-polymer 0.00 0.00 FP4 FP5 B1C9H12N1O3 non-polymer 0.00 0.00 FP5 FP6 C5H9N1O1 non-polymer 0.00 0.00 FP6 FP7 C19H20N2O3 non-polymer 0.00 0.00 FP7 FP9 C5F1H8N1O2 L-peptide linking 0.00 0.00 FP9 FPA Br1C2F2H1O2 non-polymer 0.00 0.00 FPA FPB C22F1H26N3O2 non-polymer 0.00 0.00 FPB FPC C6H15O9P1 non-polymer 1.00 0.75 FPC FPD C19H24N2O8S1 non-polymer 1.00 0.67 FPD FPE C3F1H6O6P1 non-polymer 0.00 0.00 FPE FPF C15F1H27O7P2 non-polymer 0.50 0.64 FPF FPG C10F1H23O7P2 non-polymer 0.00 0.00 FPG FPH C18F1H12N3O1 non-polymer 0.00 0.00 FPH FPI C6H11N1O1 non-polymer 0.00 0.00 FPI FPJ C13H19N6O7P1 non-polymer 1.00 0.37 FPJ FPK C6H9N1O3 L-peptide linking 0.00 0.00 FPK FPL C12F1H9O2 non-polymer 0.00 0.00 FPL FPM C12H15N1O5S1 non-polymer 0.00 0.00 FPM FPN C6F1H5O1 non-polymer 0.00 0.00 FPN FPO F1O3P1 non-polymer 0.00 0.00 FPO FPP C15H28O7P2 non-polymer 0.62 0.67 FPP FPQ C18H31O7P1 non-polymer 0.85 0.85 FPQ FPR C13H17N1O3 L-peptide linking 0.00 0.00 FPR FPS C15H28O6P2S1 non-polymer 0.38 0.62 FPS FPT C16F1H16N5O1S1 non-polymer 0.00 0.00 FPT FPU C26H24N4O4 non-polymer 0.00 0.00 FPU FPW C29H24N4O5 non-polymer 0.00 0.00 FPW FPX C29F3H22N5O2 non-polymer 0.00 0.00 FPX FPY C4F1H5N2O2 non-polymer 1.00 0.89 FPY FPZ C18H15P1 non-polymer 0.00 0.00 FPZ FQ1 C29F2H38N2O8S1 non-polymer 0.00 0.00 FQ1 FQ4 C29F1H39N2O8S1 non-polymer 0.00 0.00 FQ4 FQ5 C23Cl1H23N6O1 non-polymer 0.00 0.00 FQ5 FQ7 C13Cl2H9N1O2 non-polymer 0.00 0.00 FQ7 FQ8 C15H35O22P3 non-polymer 1.00 0.80 FQ8 FQA C13H20N2O2 L-peptide linking 0.00 0.00 FQA FQB C27H33N7O1 non-polymer 0.20 0.09 FQB FQC C16Cl2F1H8N5O1 non-polymer 0.00 0.00 FQC FQD C12F1H7N2O1S1 non-polymer 0.00 0.00 FQD FQE C27H33N7O1 non-polymer 0.20 0.09 FQE FQG C26Cl2H23N5O3 non-polymer 0.59 0.22 FQG FQH C24F3H23N6O1 non-polymer 0.00 0.00 FQH FQI C5Cl1H4N1O1S1 non-polymer 0.00 0.00 FQI FQJ C17Cl2H13N3O1 non-polymer 0.00 0.00 FQJ FQK C20H24N6O1 non-polymer 0.00 0.00 FQK FQM C22Cl1H17N6O2 non-polymer 0.00 0.00 FQM FQN C20H24N6O1 non-polymer 0.00 0.00 FQN FQP C6F3H8N3O7P2 non-polymer 0.00 0.00 FQP FQQ C24Cl1H25N6O1 non-polymer 0.00 0.00 FQQ FQT C24H43N3O15P2 non-polymer 1.00 0.61 FQT FQV C10H11N1O2S1Se1 non-polymer 0.38 0.13 FQV FQW C20H18N4O1 non-polymer 0.00 0.00 FQW FQX C8H4N4O4 non-polymer 0.00 0.00 FQX FQY C12H17N1O2S1Se1 non-polymer 0.00 0.00 FQY FQZ C8H14O4 non-polymer 1.00 1.00 FQZ FR0 C16H15N7S2 non-polymer 0.00 0.00 FR0 FR1 C26F3H33N4O7 non-polymer 0.81 0.18 FR1 FR2 C14H17N3O2 non-polymer 0.00 0.00 FR2 FR3 C18H19N3O2 non-polymer 0.00 0.00 FR3 FR4 C25H27N5O3 non-polymer 0.00 0.00 FR4 FR5 C27H29N7O3 non-polymer 0.00 0.00 FR5 FR6 C19H21N3O2 non-polymer 0.00 0.00 FR6 FR7 C15Cl2H17N3O2 non-polymer 0.00 0.00 FR7 FR8 C27H31N5O3 non-polymer 0.00 0.00 FR8 FR9 C24H26N6O3 non-polymer 0.00 0.00 FR9 FRA C21H23N3O7 non-polymer 0.00 0.00 FRA FRB C25Cl2H33N7O2 non-polymer 0.00 0.00 FRB FRC C19H21N3O3 non-polymer 0.64 0.32 FRC FRD C9H13N1 L-peptide linking 0.00 0.00 FRD FRE C31H44N7O20P3S1 non-polymer 1.00 0.44 FRE FRF C18H22N2O2 non-polymer 0.00 0.00 FRF FRG C26H30N4O3 non-polymer 0.56 0.21 FRG FRH C30Cl2H37N7O6 non-polymer 0.00 0.00 FRH FRI C33Cl2H42N8O4 non-polymer 0.00 0.00 FRI FRJ Br2C26H19N3O7S3 non-polymer 0.00 0.00 FRJ FRK C21H22N2O3S1 non-polymer 0.00 0.00 FRK FRL C22Cl1H21N4O3 non-polymer 0.00 0.00 FRL FRM C23F1H24N3O1 non-polymer 0.00 0.00 FRM FRO C12H14N1O5S1 non-polymer 0.00 0.00 FRO FRP C33F1H41N4O3 non-polymer 0.00 0.00 FRP FRQ C23F1H24N3O2 non-polymer 0.00 0.00 FRQ FRR C19H22O7 non-polymer 0.00 0.00 FRR FRS C18F3H17N10O2S1 non-polymer 0.00 0.00 FRS FRT C20H26N6O3S1 non-polymer 0.50 0.30 FRT FRU C6H12O6 D-saccharide 1.00 1.00 FRU FRV C18H20N6O2S1 non-polymer 0.00 0.00 FRV FRW C24F3H30N3O6 non-polymer 0.00 0.00 FRW FRX C20Cl1H19N4O4S1 non-polymer 0.00 0.00 FRX FRY C18Cl1H15N4O3S1 non-polymer 0.00 0.00 FRY FRZ C18H13N7 non-polymer 0.00 0.00 FRZ FS0 Fe2H1S3 non-polymer 0.00 0.00 FS0 FS1 FE1S1 non-polymer 0.00 0.00 FS1 FS2 FE4O3S2 non-polymer 0.00 0.00 FS2 FS3 FE3S4 non-polymer 0.00 0.00 FS3 FS4 FE4S4 non-polymer 0.00 0.00 FS4 FS5 Fe8S13 non-polymer 0.00 0.00 FS5 FS7 C24H25N3O5S1 non-polymer 0.57 0.24 FS7 FS8 C31F1H27N2O5 non-polymer 0.98 0.15 FS8 FS9 C18F3H17N6O1 non-polymer 0.00 0.00 FS9 FSA C8H14O7S1 non-polymer 1.00 0.69 FSA FSB C14F1H13N2O3S1 non-polymer 0.00 0.00 FSB FSC C36H56O12 non-polymer 1.00 0.69 FSC FSD C29H42N6O9 non-polymer 1.00 0.43 FSD FSE C15H10O6 non-polymer 0.00 0.00 FSE FSF FE4O1S2 non-polymer 0.00 0.00 FSF FSG C2F1H5N1O5P1 non-polymer 0.00 0.00 FSG FSH C27H35N9O16P2 non-polymer 1.00 0.43 FSH FSI C11F1H18N1O9 saccharide 1.00 0.95 FSI FSJ C19F1H35N4O7 non-polymer 1.00 0.68 FSJ FSK C10F1H13N2O3 non-polymer 1.00 0.88 FSK FSL C10H10O4 non-polymer 0.54 0.79 FSL FSM C16H28N2O11 non-polymer 1.00 1.00 FSM FSN C23F1H24N4O2 non-polymer 0.00 0.00 FSN FSO Fe4O3S3 non-polymer 0.00 0.00 FSO FSP C23F1H29N4O4 non-polymer 0.45 0.53 FSP FSQ C8H14O5 non-polymer 1.00 1.00 FSQ FSR C11F2H17N1O8 non-polymer 1.00 0.91 FSR FSS C24Cl2H26N6O2 non-polymer 0.00 0.00 FSS FST C11H17O4P1S2 non-polymer 0.62 0.39 FST FSU C13H16N2O3 non-polymer 0.56 0.28 FSU FSV C14F1H11O3 non-polymer 0.25 0.11 FSV FSW C8H16O4Se1 non-polymer 1.00 0.77 FSW FSX Fe4O3S3 non-polymer 0.00 0.00 FSX FSY C19F3H17N2O4S1 non-polymer 0.00 0.00 FSY FSZ C13F3H17N4 non-polymer 0.00 0.00 FSZ FT0 C13H10O3 non-polymer 0.00 0.00 FT0 FT1 C13Cl2H8O3 non-polymer 0.00 0.00 FT1 FT2 C13Cl3H9O2 non-polymer 0.00 0.00 FT2 FT3 C13Cl2H10O3 non-polymer 0.00 0.00 FT3 FT4 C21F1H21N2O4S1 non-polymer 0.00 0.00 FT4 FT5 C7H12O5 non-polymer 1.00 1.00 FT5 FT6 C11F1H11N2O2 L-peptide linking 0.00 0.00 FT6 FT7 C27F2H26N2O1 non-polymer 0.00 0.00 FT7 FT8 C19H24N2O4S2 non-polymer 0.00 0.00 FT8 FTA C16H13N7 non-polymer 0.10 0.13 FTA FTB C25F1H26N5O3 non-polymer 0.00 0.00 FTB FTC C15Cl1F1H16N4O1S1 non-polymer 0.00 0.00 FTC FTD C8F1H14N3O9P2S1 non-polymer 1.00 0.33 FTD FTE C7H5N1S1 non-polymer 0.00 0.00 FTE FTG C31H40N8O5 non-polymer 1.00 0.23 FTG FTH C31H28N6O1 non-polymer 0.00 0.00 FTH FTI C29H23N5O1 non-polymer 0.00 0.00 FTI FTJ C17Cl1H13N2O4 non-polymer 0.98 0.25 FTJ FTK C12F3H9O3 non-polymer 0.00 0.00 FTK FTL C30H23N5 non-polymer 0.00 0.00 FTL FTM C2F1H4N1O1 non-polymer 0.00 0.00 FTM FTN C17F3H16N1O2 non-polymer 0.58 0.17 FTN FTP C12F3H13N4O4P1S1 non-polymer 0.00 0.00 FTP FTQ Au1C16H28N4 non-polymer 0.00 0.00 FTQ FTR C11F1H11N2O2 L-peptide linking 0.00 0.00 FTR FTS C13F4H16N2O2S1 non-polymer 0.00 0.00 FTS FTT C14H28O3 non-polymer 0.00 0.00 FTT FTU C11F1H13N4O4 non-polymer 1.00 0.50 FTU FTV C9Cl2H8O3 non-polymer 0.98 0.43 FTV FTY C10F2H12N1O5P1 L-peptide linking 0.00 0.00 FTY FTZ C13Cl1F1H10N4O1 non-polymer 0.00 0.00 FTZ FU0 C7H8O4 non-polymer 0.00 0.00 FU0 FU1 C4H8O1 non-polymer 0.00 0.00 FU1 FU2 C5H4O2 non-polymer 0.00 0.00 FU2 FU3 C21Cl2F3H22N5O2 non-polymer 0.00 0.00 FU3 FU4 C6H12O4 D-saccharide 1.00 1.00 FU4 FU5 C15Cl1F3H15N3O1 non-polymer 0.00 0.00 FU5 FU7 C21Cl2F2H21N7O2 non-polymer 0.38 0.06 FU7 FU8 C7Fe2H4N2O3S2 non-polymer 0.00 0.00 FU8 FU9 C22F3H16N5O2 non-polymer 0.00 0.00 FU9 FUA C31H48O6 non-polymer 0.93 0.27 FUA FUB C5H10O5 L-saccharide 1.00 1.00 FUB FUC C6H12O5 L-saccharide 1.00 1.00 FUC FUD C6H12O6 D-saccharide 1.00 1.00 FUD FUE C32F1H36N5O2 non-polymer 0.00 0.00 FUE FUF C6F1H11O4 non-polymer 1.00 0.91 FUF FUG C26H36O7 non-polymer 1.00 0.88 FUG FUH C20H33N3O16P2 non-polymer 1.00 0.83 FUH FUJ C11H11O6P1 non-polymer 0.00 0.00 FUJ FUK C30F1H42N5O3 non-polymer 0.00 0.00 FUK FUL C6H12O5 L-saccharide 1.00 1.00 FUL FUM C4H4O4 non-polymer 0.95 1.00 FUM FUN C12Cl1H11N2O5S1 non-polymer 0.00 0.00 FUN FUP C9F1H13N2O10P2 non-polymer 1.00 0.33 FUP FUQ H25O25 non-polymer 0.00 0.00 FUQ FUR C8H5N3O5 non-polymer 0.28 0.38 FUR FUS H4N2O2S1 non-polymer 0.00 0.00 FUS FUU C16H14N4O6 non-polymer 0.00 0.00 FUU FUV C23Cl1H28N3O7 non-polymer 1.00 0.38 FUV FUX C6H6O3 non-polymer 0.00 0.00 FUX FUY C6H12N3O4 non-polymer 1.00 0.85 FUY FUZ C12H11N1O3 non-polymer 0.00 0.00 FUZ FV0 C14H24N2O1 non-polymer 0.00 0.00 FV0 FV1 C3H8O7P1V1 non-polymer 0.00 0.00 FV1 FV2 H8O30 non-polymer 0.00 0.00 FV2 FV4 C20Cl1F1H22N4 non-polymer 0.00 0.00 FV4 FV7 C26Cl2F1H25N4 non-polymer 0.00 0.00 FV7 FV8 C16H18N4O5 non-polymer 0.00 0.00 FV8 FV9 C20F1H17N4O7P2S1 non-polymer 0.00 0.00 FV9 FVA C6H11N1O3 L-peptide linking 0.62 1.00 FVA FVD C25Cl1F1H29N5 non-polymer 0.00 0.00 FVD FVF C30H35N2O8P1 non-polymer 0.53 0.63 FVF FVG C25Cl1F1H32N6 non-polymer 0.00 0.00 FVG FVH C21H34N7O17P3 non-polymer 1.00 0.48 FVH FVJ C25Cl1F1H28N6 non-polymer 0.00 0.00 FVJ FVK C16H25N3O5 non-polymer 0.00 0.00 FVK FVM C26Cl1F1H28N6 non-polymer 0.00 0.00 FVM FVN C19H24N2O4 non-polymer 0.00 0.00 FVN FVP C42H64N6O20 non-polymer 1.00 0.68 FVP FVQ C14H17N1O6 non-polymer 1.00 0.57 FVQ FVS C32F5H47O3S1 non-polymer 0.00 0.05 FVS FVT C5H9N1O3 non-polymer 0.00 0.00 FVT FVV C17F1H16N3 non-polymer 0.00 0.00 FVV FVW C18F1H23N4O8 non-polymer 0.68 0.61 FVW FVX C15F3H21N2O2 non-polymer 0.56 0.68 FVX FVY C16Cl1F1H15N3 non-polymer 0.00 0.00 FVY FVZ C18F1H22N3O8 non-polymer 0.68 0.63 FVZ FW1 C23H36O6 non-polymer 0.54 0.48 FW1 FW2 C6H10O6 non-polymer 0.98 1.00 FW2 FW4 C20Cl1F1H22N4 non-polymer 0.00 0.00 FW4 FW5 C4H10O3 non-polymer 0.98 0.86 FW5 FW7 C18Cl2F1H17N4 non-polymer 0.00 0.00 FW7 FW8 C35H35N9O2 non-polymer 0.00 0.00 FW8 FWA C26Cl1F1H32N6 non-polymer 0.00 0.00 FWA FWB C10F3H12N1O1 non-polymer 0.00 0.00 FWB FWD C7F1H8N3O4 non-polymer 1.00 0.53 FWD FWE C44H38N6O12 non-polymer 1.00 0.23 FWE FWF C24H36N2O4S2 non-polymer 0.00 0.00 FWF FWG C21H27N3O3S1 non-polymer 0.00 0.00 FWG FWH C25H20N2 non-polymer 0.25 0.07 FWH FWJ C21F1H20N3O3S1 non-polymer 0.00 0.00 FWJ FWK C11H15N5O3 non-polymer 1.00 0.53 FWK FWM C21H27N3O3S1 non-polymer 0.00 0.00 FWM FWN C8H18O4 non-polymer 0.88 1.00 FWN FWP C23H25N3O5S1 non-polymer 0.00 0.00 FWP FWQ C42H30O24S6 non-polymer 0.00 0.00 FWQ FWS C22H22N4O5S1 non-polymer 0.00 0.00 FWS FWT C56H40O32S8 non-polymer 0.00 0.00 FWT FWV C20Cl2H18N4O3S1 non-polymer 0.00 0.00 FWV FWW C44H37N5O13 non-polymer 1.00 0.23 FWW FWY C20H19N4O5S1 non-polymer 0.00 0.00 FWY FWZ C49F1H58N9O6S1 non-polymer 0.38 0.03 FWZ FX1 C6H10O6 non-polymer 1.00 1.00 FX1 FX2 C22F3H18N3O3 non-polymer 0.00 0.00 FX2 FX3 C15H18O8 non-polymer 1.00 0.52 FX3 FX4 C15H13N1O8S1 non-polymer 0.00 0.00 FX4 FX5 C14H18N5O1 non-polymer 0.00 0.00 FX5 FX7 Br2C22H24N2O5 non-polymer 0.00 0.00 FX7 FX8 C46F1H60N9O8S1 non-polymer 0.88 0.22 FX8 FXA C23Cl1H17N4O4S1 non-polymer 0.00 0.00 FXA FXB C21H21N1O3 non-polymer 0.62 0.32 FXB FXD Br2C21H14N2O5 non-polymer 0.00 0.00 FXD FXE C17H18N4O3 non-polymer 0.00 0.00 FXE FXG C22H29N7O2 non-polymer 0.00 0.00 FXG FXI C28Cl1F1H29N3O4S1 non-polymer 0.00 0.00 FXI FXJ Br2C22H16N2O6 non-polymer 0.00 0.00 FXJ FXM C23H31N5O8S2 non-polymer 0.90 0.61 FXM FXN C11F1H11N2O1S1 non-polymer 0.00 0.00 FXN FXP C10F1H17O8 D-saccharide 1.00 0.95 FXP FXQ C6H16N6 non-polymer 0.00 0.00 FXQ FXS Br2C21H13N3O7 non-polymer 0.00 0.00 FXS FXT C7H18N6 non-polymer 0.00 0.00 FXT FXV C25H27N4O4 non-polymer 0.55 0.36 FXV FXW C22H26N4O4S2 non-polymer 0.00 0.00 FXW FXY C9H19N1O1 non-polymer 0.50 0.64 FXY FY0 C12H16N1O7P1 non-polymer 0.00 0.00 FY0 FY1 Br2C16H14N2O5 non-polymer 0.00 0.00 FY1 FY2 C9F2H9N1O3 L-peptide linking 0.00 0.00 FY2 FY3 C9F3H8N1O3 L-peptide linking 0.00 0.00 FY3 FY4 Br2C21Cl1H13N2O5 non-polymer 0.00 0.00 FY4 FY5 C18H22O5S1 non-polymer 0.00 0.00 FY5 FY7 Br2C22H13N3O5 non-polymer 0.00 0.00 FY7 FY8 C12Cl1H15N2O2 non-polymer 0.00 0.00 FY8 FYA C19H25N6O7P1 non-polymer 1.00 0.48 FYA FYC C18F1H16N3O2 non-polymer 0.38 0.21 FYC FYD Br2C22H16N2O6 non-polymer 0.00 0.00 FYD FYE C17F1H18N1O4 non-polymer 0.00 0.00 FYE FYH C19F3H19N2O3 non-polymer 0.00 0.00 FYH FYI C22H34N5O9P1 peptide-like 0.00 0.00 FYI FYJ C12H14O6S1 non-polymer 1.00 0.63 FYJ FYK C13Cl1H12N1O5 non-polymer 0.00 0.00 FYK FYM C27H28N2O7 non-polymer 0.00 0.00 FYM FYN C22H36N7O17P3S1 non-polymer 1.00 0.46 FYN FYO C13H8N6O3 non-polymer 0.00 0.00 FYO FYP C15F1H14N3O3 non-polymer 0.75 0.23 FYP FYQ C21H31N6O10P1 peptide-like 0.00 0.00 FYQ FYS C22H22O3 non-polymer 0.00 0.00 FYS FYU C5H4N2O3 non-polymer 1.00 1.00 FYU FYV C11H8N4 non-polymer 0.00 0.00 FYV FYW C21F3H18N5O3 non-polymer 0.00 0.00 FYW FYX C13H8N6 non-polymer 0.00 0.00 FYX FYY B1Br1C14H15N1O1 non-polymer 0.00 0.00 FYY FYZ C21H22O6 non-polymer 1.00 0.44 FYZ FZ1 C24H23N5O1 non-polymer 0.00 0.00 FZ1 FZ4 B1C14H16N1O1 non-polymer 0.00 0.00 FZ4 FZ5 C23H28O10 non-polymer 1.00 0.45 FZ5 FZ8 C17H17N7 non-polymer 0.00 0.00 FZ8 FZ9 C18H16N6 non-polymer 0.00 0.00 FZ9 FZB C17H22N4O1 non-polymer 0.00 0.00 FZB FZE C30F2H37N5O1 non-polymer 0.00 0.00 FZE FZH C30H38N4O3S1 non-polymer 0.00 0.00 FZH FZJ C13H13N5O2 non-polymer 0.00 0.00 FZJ FZM C12H12N2 non-polymer 0.00 0.00 FZM FZN C23H37N7O15P2S1 L-peptide linking 1.00 0.46 FZN FZP C25F1H24N7O3 non-polymer 0.00 0.00 FZP FZS C14H17N5O5S2 non-polymer 0.50 0.58 FZS FZV C30H37N3O3S1 non-polymer 0.56 0.14 FZV FZW C28F3H20N7O1 non-polymer 0.00 0.00 FZW FZZ C22H29N4O9P1 non-polymer 1.00 0.28 FZZ G C10H14N5O8P1 RNA linking 1.00 0.42 G G00 C12Cl1H17N2O1S1 non-polymer 0.00 0.00 G00 G01 C6H12N1O6P1 D-peptide NH3 amino terminus 0.68 0.71 G01 G02 C25F3H19N8O1 non-polymer 0.00 0.00 G02 G04 C29H40N2O9S1 non-polymer 1.00 0.24 G04 G05 C29H40N2O8S1 non-polymer 1.00 0.20 G05 G07 C28H36N2O9S1 non-polymer 0.00 0.00 G07 G08 C28H37N3O8S1 non-polymer 0.00 0.00 G08 G0B C29H64N18O13 non-polymer 1.00 0.70 G0B G0D C29H35N3O3S1 non-polymer 0.56 0.14 G0D G0E C25F3H19N8O1 non-polymer 0.00 0.00 G0E G0G C30H31N3O4S2 non-polymer 0.00 0.00 G0G G0H C28F3H20N5O1 non-polymer 0.00 0.00 G0H G0J C29H36N4O3 non-polymer 0.56 0.14 G0J G0K C27F3H19N6O1 non-polymer 0.00 0.00 G0K G0M C29H35N3O3S1 non-polymer 0.56 0.14 G0M G0N C28F3H20N7O1 non-polymer 0.00 0.00 G0N G0P C23H35N3O8 non-polymer 1.00 0.35 G0P G0Q C25Cl1H20N7O1 non-polymer 0.00 0.00 G0Q G0S C9H16O7S1 non-polymer 1.00 0.65 G0S G0T C30H32N2O8 non-polymer 0.00 0.00 G0T G0V C30H37N3O3S1 non-polymer 0.56 0.14 G0V G0W C37H56N6O6 non-polymer 1.00 0.18 G0W G0Y C30H37N3O3S1 non-polymer 0.56 0.14 G0Y G0Z C31H44N15O22P4S1 non-polymer 1.00 0.41 G0Z G10 C27F2H35N3O7S1 non-polymer 1.00 0.22 G10 G11 C21H23N3O2 non-polymer 0.00 0.00 G11 G12 Br2C10H6O3 non-polymer 0.00 0.00 G12 G13 C28H38N4O3 non-polymer 0.45 0.31 G13 G14 C10H8N2O2 non-polymer 0.00 0.00 G14 G15 C17Cl1H21N6O5S2 non-polymer 0.00 0.00 G15 G16 C6H13O12P2 D-saccharide 1.00 0.60 G16 G17 C26F3H21N4O1 non-polymer 0.00 0.00 G17 G18 C11H7N1O1S1 non-polymer 0.00 0.00 G18 G19 C26H34N4O6 non-polymer 0.38 0.17 G19 G1C C11Cl1H17N5O12P3 non-polymer 1.00 0.28 G1C G1D C30H38N4O3 non-polymer 0.56 0.14 G1D G1E C15H18N6O2S1 non-polymer 0.62 0.12 G1E G1G C22H32N10O18P3 non-polymer 1.00 0.38 G1G G1H C16F3H16N3O4 non-polymer 0.00 0.00 G1H G1J C29H35N3O3S1 non-polymer 0.56 0.14 G1J G1K C17H17N3O6 non-polymer 1.00 0.54 G1K G1L C12Cl1F3H13N1O1 non-polymer 0.38 0.11 G1L G1M C12H20N5O12P3 non-polymer 1.00 0.28 G1M G1N C9H7N3O4S2 non-polymer 0.00 0.00 G1N G1O C10H10N2O1 non-polymer 0.00 0.00 G1O G1P C6H13O9P1 D-saccharide 1.00 0.75 G1P G1R C15H23N5O15P2 non-polymer 1.00 0.62 G1R G1T C14F3H14N3O2S1 non-polymer 0.00 0.00 G1T G1W C26F1H22N1O6S1 non-polymer 0.97 0.11 G1W G1Y C20H19N3O1 non-polymer 0.00 0.00 G1Y G1Z C14F3H14N3O2S1 non-polymer 0.00 0.00 G1Z G20 C14H23N5O5 non-polymer 1.00 0.71 G20 G21 C20H29N3O5 non-polymer 1.00 0.61 G21 G23 C23H27N3O4S1 non-polymer 0.00 0.00 G23 G24 C24H24O4 non-polymer 0.00 0.00 G24 G25 C10H14N5O8P1 RNA linking 1.00 0.42 G25 G26 C32H38N4O4S1 non-polymer 0.00 0.00 G26 G27 C15H23N1O3 non-polymer 1.00 0.53 G27 G28 C13H23N3O5 non-polymer 1.00 1.00 G28 G29 C23H28O3 non-polymer 0.50 0.19 G29 G2A C23H46O4 non-polymer 0.98 0.37 G2A G2C C11Cl2H16N5O12P3 non-polymer 1.00 0.27 G2C G2D C24H25N3O2 non-polymer 0.00 0.00 G2D G2F C6F1H11O5 saccharide 1.00 0.92 G2F G2G C35H39N6O2 non-polymer 0.38 0.05 G2G G2H C3H9O6P1 non-polymer 0.98 0.60 G2H G2I C18H33N1O13 non-polymer 1.00 1.00 G2I G2J C25H27N3O2 non-polymer 0.00 0.00 G2J G2K C25Cl1H25N4O5 non-polymer 1.00 0.40 G2K G2L C13H20N5O9P1 RNA linking 1.00 0.50 G2L G2M C13H22N5O12P3 non-polymer 1.00 0.36 G2M G2N C17H19N5O2 non-polymer 0.00 0.00 G2N G2P C11H18N5O13P3 non-polymer 1.00 0.31 G2P G2Q C15H23N5O14P2 non-polymer 1.00 0.61 G2Q G2R C15H23N5O14P2 non-polymer 1.00 0.61 G2R G2S C10H14N5O5P1S2 DNA linking 1.00 0.39 G2S G2V C15H17N3 non-polymer 0.00 0.00 G2V G2Y C12Cl3H19O8 non-polymer 1.00 0.87 G2Y G30 C11F2H9N1O3 non-polymer 0.00 0.00 G30 G31 C11H16N5O6P1 DNA linking 0.00 0.00 G31 G32 C11H16N5O7P1 DNA linking 1.00 0.38 G32 G33 C11H16N5O7P1 DNA linking 1.00 0.38 G33 G34 C30H47N1O4S1 non-polymer 0.38 0.17 G34 G35 C9H16N5O8P1 DNA linking 1.00 0.70 G35 G36 C12H18N5O7P1 DNA linking 1.00 0.36 G36 G37 C42H47N7O5S1 non-polymer 0.00 0.00 G37 G38 C10H15N6O6P1 DNA linking 1.00 0.39 G38 G39 C14H24N2O4 non-polymer 0.00 0.00 G39 G3A C20H27N10O17P3 non-polymer 1.00 0.40 G3A G3B C18H14N2O3S1 non-polymer 0.00 0.00 G3B G3D C10H16N5O14P3 non-polymer 1.00 0.31 G3D G3E C9H7N1O2 non-polymer 0.00 0.00 G3E G3F C6F1H11O5 non-polymer 1.00 0.92 G3F G3G C30H33N5O4S2 non-polymer 0.00 0.00 G3G G3H C3H7O6P1 non-polymer 1.00 0.60 G3H G3I C24H43N1O18 saccharide 1.00 1.00 G3I G3K C19Cl1H20N3O6 non-polymer 1.00 0.69 G3K G3M C7H16N4O3 L-peptide linking 0.50 0.86 G3M G3N C14H23N3O15P2 non-polymer 1.00 0.59 G3N G3P C3H9O6P1 non-polymer 0.98 0.60 G3P G3Q C20H33N3O3 non-polymer 0.57 0.38 G3Q G3R C19H18N6O3 non-polymer 0.00 0.00 G3R G3S C22H23N1O4S1 non-polymer 0.00 0.00 G3S G3T C22H35N3O3 non-polymer 0.39 0.18 G3T G3V C20H22N8O6 non-polymer 0.68 0.35 G3V G3W C21F1H20N1O1 non-polymer 0.00 0.00 G3W G3X C24H34N2O3 non-polymer 0.00 0.00 G3X G3Z C22H20N6O1 non-polymer 0.00 0.00 G3Z G40 C38H53N5O6S1 non-polymer 0.38 0.12 G40 G42 C10H14N5O8P1 DNA linking 1.00 0.38 G42 G43 C29Cl1H39N2O9S1 non-polymer 0.00 0.00 G43 G44 C21H20N4O1 non-polymer 0.00 0.00 G44 G45 C24H24N6O3S2 non-polymer 0.00 0.00 G45 G46 C10H14N5O7P1S1 RNA linking 1.00 0.42 G46 G47 C12H18N5O7P1S1 DNA linking 1.00 0.35 G47 G48 C13H20N5O9P1 RNA linking 1.00 0.50 G48 G49 C11H16N5O7P1 DNA linking 1.00 0.38 G49 G4A C19H19N2O4S2 non-polymer 0.00 0.00 G4A G4B C43H61N5O9 non-polymer 0.33 0.11 G4B G4D C6H12O5 D-saccharide 1.00 1.00 G4D G4E C21H19N5O1 non-polymer 0.00 0.00 G4E G4F C16F1H24N5O15P2 non-polymer 1.00 0.54 G4F G4G C32H33N5O6S2 non-polymer 0.00 0.00 G4G G4H C37H36N6O3 non-polymer 0.00 0.00 G4H G4J C18F2H21N7O1 non-polymer 0.00 0.00 G4J G4K C36H34N6O3 non-polymer 0.00 0.00 G4K G4M C24H36N7O19P3 non-polymer 1.00 0.40 G4M G4N C36H35N5O3 non-polymer 0.00 0.00 G4N G4P C10H17N5O17P4 RNA linking 1.00 0.28 G4P G4Q C34H33N5O2 non-polymer 0.00 0.00 G4Q G4S C6H12O9S1 D-saccharide 1.00 0.75 G4S G4T C36Cl1H35N6O3 non-polymer 0.00 0.00 G4T G4V C18F2H17N5O2 non-polymer 0.56 0.19 G4V G4W C20F2H20N6O1 non-polymer 0.00 0.00 G4W G4Y C22H19N5 non-polymer 0.00 0.00 G4Y G4Z C13Cl1H20N1O2S1 non-polymer 0.67 0.44 G4Z G50 C15H14O5 non-polymer 0.00 0.00 G50 G51 C24F3H23N4O3 non-polymer 0.00 0.00 G51 G52 C30H40N2O9S1 non-polymer 1.00 0.29 G52 G53 C32H39N3O10S1 non-polymer 0.97 0.09 G53 G54 C17H15N5 non-polymer 0.00 0.00 G54 G55 C27H38N2O8S1 non-polymer 0.00 0.00 G55 G57 C26F3H23N4O3 non-polymer 0.00 0.00 G57 G58 C25Cl1F1H23N3O4S2 non-polymer 0.00 0.00 G58 G59 C23F1H25N4O1 non-polymer 0.00 0.00 G59 G5A C12H17N7O7S1 non-polymer 1.00 0.37 G5A G5B C20Cl2H29N1O3 non-polymer 1.00 0.38 G5B G5D C21H23N7O2 non-polymer 0.50 0.17 G5D G5E C14F1H10N3O2S1 non-polymer 0.00 0.00 G5E G5G C6H13N1O4 L-peptide linking 0.73 1.00 G5G G5J C11H18N5O14P3 non-polymer 1.00 0.30 G5J G5K C22H26N8O2S1 non-polymer 0.38 0.15 G5K G5P C20H29N10O23P5 non-polymer 1.00 0.34 G5P G5T C15H16N2O2 non-polymer 0.00 0.00 G5T G5V C7H6O5 non-polymer 1.00 1.00 G5V G5W C15H17N3O3S1 non-polymer 0.62 0.14 G5W G5Y C6H4O5 non-polymer 1.00 1.00 G5Y G5Z C13H14N4O2S1 non-polymer 0.62 0.15 G5Z G61 C34H46N2O8S1 non-polymer 0.56 0.11 G61 G62 C17H17N1O2 non-polymer 0.00 0.00 G62 G63 C6H14N2O3 non-polymer 1.00 1.00 G63 G64 C37H46N4O7S1 non-polymer 0.50 0.08 G64 G65 C28H30N6O1S1 non-polymer 0.00 0.00 G65 G67 C37H41N9O3S1 non-polymer 0.58 0.08 G67 G68 C16H17N1O2 non-polymer 0.00 0.00 G68 G69 C18F3H22N3O3S1 non-polymer 0.00 0.00 G69 G6A C21H21N3O2 non-polymer 0.00 0.00 G6A G6B C14H16N4O2S1 non-polymer 0.62 0.14 G6B G6D C6H12O5 D-saccharide 1.00 1.00 G6D G6E C13H15N5O2S1 non-polymer 0.62 0.14 G6E G6F C26F1H25N4O3 non-polymer 0.00 0.00 G6F G6G C35H37N9O2 non-polymer 0.00 0.00 G6G G6H C32F3H28N7O4 non-polymer 0.00 0.00 G6H G6I C30F3H24N7O2 non-polymer 0.00 0.00 G6I G6J C19F2H23N5O2 non-polymer 0.00 0.00 G6J G6K C22H28N8O2S1 non-polymer 0.00 0.00 G6K G6M C16Cl1F1H19N3O4 non-polymer 0.00 0.00 G6M G6P C6H13O9P1 D-saccharide 1.00 0.75 G6P G6Q C6H13O9P1 non-polymer 1.00 0.75 G6Q G6S C6H12O9S1 D-saccharide 1.00 0.75 G6S G6T C18H22N6O3S1 non-polymer 0.00 0.00 G6T G6V C16Cl2F1H18N3O4 non-polymer 0.00 0.00 G6V G6X C29H34N2O6S1 non-polymer 0.00 0.00 G6X G6Y C24H24N4O3 non-polymer 0.00 0.06 G6Y G6Z C15H17N5O2S1 non-polymer 0.62 0.13 G6Z G71 C20H23N5O6S1 non-polymer 0.68 0.38 G71 G72 C31F6H44O4 non-polymer 0.55 0.15 G72 G73 C23H21N7O1 non-polymer 0.17 0.10 G73 G74 C16H28N2O5 non-polymer 0.65 0.52 G74 G75 C28H35N3O6 non-polymer 0.65 0.19 G75 G76 C12H21N2O6P2 non-polymer 0.00 0.00 G76 G79 C32H44N2O8S1 non-polymer 0.00 0.00 G79 G7A C16F3H16N3O2 non-polymer 0.00 0.00 G7A G7B C9H13N3O2S1 non-polymer 0.62 0.67 G7B G7D C19H19N7O7 non-polymer 0.68 0.36 G7D G7E C21H25N5O4S1 non-polymer 0.62 0.10 G7E G7G C21H18O11 non-polymer 1.00 0.41 G7G G7H C20H23N5O3S1 non-polymer 0.62 0.10 G7H G7J C8H7N1O2 non-polymer 0.00 0.00 G7J G7K C24F3H23N6O2S1 non-polymer 0.00 0.00 G7K G7M C11H17N5O8P1 RNA linking 1.00 0.40 G7M G7N C14H17N7O2S1 non-polymer 0.62 0.12 G7N G7P C7H15O8P1 non-polymer 1.00 0.75 G7P G7Q C18F2H26N4O2S1 non-polymer 0.62 0.11 G7Q G7T C26F4H24N6O2 non-polymer 0.36 0.11 G7T G7W C25F4H20N6O2 non-polymer 0.38 0.19 G7W G7X C30Cl1H33N4O2 non-polymer 0.00 0.00 G7X G7Z C8H12N2O3 non-polymer 0.00 0.00 G7Z G80 C27H43N1O4S1 non-polymer 0.38 0.18 G80 G81 C25H37N3O6 non-polymer 0.65 0.35 G81 G82 C37H50N4O9 non-polymer 0.65 0.32 G82 G83 C36H48N4O9 non-polymer 0.65 0.55 G83 G84 C43H54N4O8 non-polymer 0.65 0.47 G84 G85 C35H48N4O8 peptide-like 0.65 0.53 G85 G86 C33H52N4O8 non-polymer 0.65 0.38 G86 G87 C14Cl2H13N5O4S1 non-polymer 0.00 0.00 G87 G88 C6H11O7P1 non-polymer 0.00 0.00 G88 G89 C29H40N2O8S1 peptide-like 1.00 0.25 G89 G8A C15H15I1N4O6S1 non-polymer 0.75 0.19 G8A G8B C23H26N6O4S1 non-polymer 0.00 0.00 G8B G8D C10H15N5O12P2 non-polymer 1.00 0.34 G8D G8E C20H20N6O4S1 non-polymer 0.00 0.00 G8E G8G C12H20N4O8P2S1 non-polymer 0.50 0.33 G8G G8H C17H14N2O1 non-polymer 0.00 0.00 G8H G8J C22H23N5O1 non-polymer 0.00 0.07 G8J G8K C21H19N3O4 non-polymer 0.00 0.00 G8K G8M C7H11N1O4 L-peptide linking 0.00 0.00 G8M G8N C19H26N6O4S1 non-polymer 0.61 0.23 G8N G8Q C16H28N2O3S1 non-polymer 0.56 0.73 G8Q G8S C37Cl1H41N4 non-polymer 0.20 0.07 G8S G8T C17H21N1O1S1 non-polymer 0.40 0.20 G8T G8U C20Cl1F3H15N1O4 non-polymer 0.00 0.00 G8U G8V C14H17N2 non-polymer 0.20 0.19 G8V G8W C17F1H21N4O8 non-polymer 0.68 0.63 G8W G8Y C29F1H28N1O5 non-polymer 0.00 0.00 G8Y G8Z C10H18O6 D-saccharide 1.00 0.94 G8Z G90 C22H25N3O2 non-polymer 0.56 0.41 G90 G91 C29F1H28N1O5 non-polymer 0.00 0.00 G91 G92 C23F3H22N3O4 non-polymer 0.00 0.00 G92 G93 C21H27N7O3 non-polymer 0.56 0.16 G93 G94 C19H21N5O6S1 non-polymer 0.68 0.39 G94 G95 C20H18N4O1S1 non-polymer 0.00 0.00 G95 G96 C24H27N7O3 non-polymer 0.56 0.15 G96 G97 C20H16N6O1 non-polymer 0.38 0.19 G97 G98 C24H29N7O3 non-polymer 0.56 0.15 G98 G9A C5H6O4 non-polymer 0.67 1.00 G9A G9B C29H31N9O1 non-polymer 0.00 0.00 G9B G9D C15H16N4O2 non-polymer 0.00 0.00 G9D G9E C22F3H21N4O3 non-polymer 0.00 0.00 G9E G9F C21H24N4O2 non-polymer 0.50 0.22 G9F G9G C17H18N4O1 non-polymer 0.00 0.00 G9G G9H C13H16N4O1 non-polymer 0.20 0.17 G9H G9I C23H26N4O1 non-polymer 0.00 0.00 G9I G9J C22H17I1O3 non-polymer 0.00 0.00 G9J G9K C21H15N3O4 non-polymer 0.00 0.00 G9K G9L C20F1H24N3O2 non-polymer 0.00 0.00 G9L G9M C23H27N5O2 non-polymer 0.00 0.00 G9M G9P C15H11N1O5S1 non-polymer 0.00 0.00 G9P G9Q C23H25N1O2 non-polymer 0.36 0.15 G9Q G9S C27H53N2O8P1S1 non-polymer 0.62 0.26 G9S G9V C24H25N5O3 non-polymer 0.44 0.12 G9V G9W C16H19N1O2 non-polymer 0.00 0.00 G9W G9Y C22H23N3O3 non-polymer 0.44 0.14 G9Y G9Z C11H17N1O8 non-polymer 0.97 0.60 G9Z GA Ga1 non-polymer 0.00 0.00 GA GA0 C20H24N4O3 non-polymer 0.00 0.00 GA0 GA2 C9H13N5O4 non-polymer 0.98 0.33 GA2 GA3 C19H22O6 non-polymer 0.00 0.00 GA3 GA4 C19H24O5 non-polymer 0.00 0.00 GA4 GA5 C37H49N3O8S1 non-polymer 0.56 0.10 GA5 GA6 C14H13N1O4S1 non-polymer 0.00 0.00 GA6 GA7 C20H32N5O13P1 non-polymer 1.00 0.64 GA7 GA8 C36H47N3O7S2 non-polymer 0.56 0.10 GA8 GA9 Br2C24Cl1H13O4 non-polymer 0.00 0.00 GA9 GAA C12H15N1O8 non-polymer 1.00 0.57 GAA GAB C7H7N1O2 non-polymer 0.00 0.00 GAB GAC C25H45N1O18 saccharide 1.00 1.00 GAC GAD C6H8O5 saccharide 1.00 1.00 GAD GAE C6H10O8 non-polymer 1.00 1.00 GAE GAF C6F1H11O5 non-polymer 1.00 0.92 GAF GAG C4H3N1O4 non-polymer 0.00 0.00 GAG GAH C38H61N11O6 peptide-like 0.00 0.00 GAH GAI C1H5N3 non-polymer 0.00 0.00 GAI GAJ C14H9N5O4S1 non-polymer 0.00 0.00 GAJ GAK GA2S2 non-polymer 0.00 0.00 GAK GAL C6H12O6 D-saccharide 1.00 1.00 GAL GAM C6H11N1O4 non-polymer 0.93 1.00 GAM GAN C32H51N5O5 non-polymer 0.55 0.48 GAN GAO C10H14N5O8P1 RNA linking 1.00 0.42 GAO GAP C12H17N6O8P1 non-polymer 1.00 0.59 GAP GAQ C5H10O2 non-polymer 0.00 0.00 GAQ GAR C7H13N2O8P1 non-polymer 1.00 0.56 GAR GAS C23H20N4O2 non-polymer 0.50 0.21 GAS GAT C12H17N1O6 non-polymer 1.00 0.63 GAT GAU C5H11N1O3 L-peptide linking 0.68 1.00 GAU GAV C10H16N5O13P3S1 non-polymer 1.00 0.31 GAV GAW C30F6H32N4O1 non-polymer 0.38 0.15 GAW GAX C19H20N6O3S2 non-polymer 0.00 0.00 GAX GAZ C20H27N3O9S1 non-polymer 0.38 0.09 GAZ GB C1H5O3P1 non-polymer 0.00 0.00 GB GB0 C50H58Mg1N4O5 non-polymer 0.62 0.45 GB0 GB1 C13H20N2O3 non-polymer 0.00 0.00 GB1 GB2 C13H20N2O3 non-polymer 0.00 0.00 GB2 GB3 C14H22N2O3 non-polymer 0.00 0.00 GB3 GB4 C9Cl2H7N1O2 non-polymer 0.22 0.43 GB4 GB5 C9Cl1H8N1O2 non-polymer 0.23 0.62 GB5 GB6 C13H18N2O4 non-polymer 1.00 0.53 GB6 GB7 C14H20N2O4 non-polymer 1.00 0.50 GB7 GB8 C20H21N7O4 non-polymer 1.00 0.32 GB8 GBA Br1C10H12N5O4 non-polymer 1.00 0.50 GBA GBC C7H11N1O2 non-polymer 0.00 0.00 GBC GBD C3H2N2O3S1 non-polymer 0.00 0.00 GBD GBE C15H30N2O9S1 non-polymer 1.00 0.44 GBE GBF C50H58Mg1N4O5 non-polymer 0.62 0.45 GBF GBG C8Cl1H16N3O2 non-polymer 0.00 0.00 GBG GBH C14H28N2O9S1 non-polymer 1.00 0.46 GBH GBI C17H22I1N3O6S1 non-polymer 0.00 0.00 GBI GBJ C20H20O4 non-polymer 0.00 0.00 GBJ GBK C19H24N2O1 non-polymer 0.00 0.00 GBK GBL C4H6O2 non-polymer 0.00 0.00 GBL GBM C23Cl1H28N3O5S1 non-polymer 0.00 0.00 GBM GBN C9H17N1O2 non-polymer 0.00 0.00 GBN GBO C20H35N3O9P2S1 non-polymer 0.62 0.29 GBO GBP Br1C17H23N4O8S1 non-polymer 0.00 0.00 GBP GBQ C23F7H21N4O3 non-polymer 0.00 0.00 GBQ GBR Br1C11H17N5O12P3 non-polymer 1.00 0.28 GBR GBS C8H9N3O2 non-polymer 0.00 0.00 GBS GBT C29H33N7O3 non-polymer 0.00 0.00 GBT GBV C20H26N2O4S3 non-polymer 0.00 0.00 GBV GBW C50H64N8O9S1 non-polymer 0.67 0.22 GBW GBX C30H27N3O9S1 non-polymer 0.00 0.00 GBX GBZ C26F1H30N5O9 non-polymer 0.68 0.46 GBZ GC1 C6H10O6 L-saccharide 1.00 1.00 GC1 GC2 C10H18N2O4 non-polymer 1.00 0.75 GC2 GC3 C8H13N1O6 non-polymer 1.00 1.00 GC3 GC4 C6H10O6 D-saccharide 1.00 1.00 GC4 GC7 C8H22N4 non-polymer 0.00 0.00 GC7 GC8 C20Cl2H22N2O2 non-polymer 0.00 0.00 GC8 GCA C19H26N2O3 non-polymer 0.00 0.00 GCA GCB C6H8O7 non-polymer 1.00 1.00 GCB GCD C6H8O6 D-saccharide 1.00 1.00 GCD GCF C27F3H25N4O3 non-polymer 0.00 0.00 GCF GCG C27H49N9O10S2 non-polymer 0.00 0.00 GCG GCH C26H43N1O6 non-polymer 0.00 0.00 GCH GCK C18H24N6O9P1 DNA linking 1.00 0.41 GCK GCL C14H29N1O2 non-polymer 0.54 0.53 GCL GCM C3H7N1O1 L-peptide linking 0.00 0.00 GCM GCN C6H13N1O4 D-saccharide 1.00 1.00 GCN GCO C6H12O7 saccharide 0.99 1.00 GCO GCP C11H18N5O13P3 non-polymer 1.00 0.31 GCP GCQ C9F2H13N3O10P2 non-polymer 1.00 0.35 GCQ GCS C6H13N1O5 D-saccharide 1.00 1.00 GCS GCT C6H10O5 saccharide 1.00 1.00 GCT GCU C6H10O7 D-saccharide 1.00 1.00 GCU GCV C7H12O7 D-saccharide 1.00 0.93 GCV GCW C7H12O7 D-saccharide 1.00 0.93 GCW GCX C11H20O10 D-saccharide 1.00 1.00 GCX GCY C48H93N1O8 non-polymer 1.00 0.37 GCY GCZ C15H21N3O3S1 non-polymer 0.00 0.00 GCZ GD GD1 non-polymer 0.00 0.00 GD GD1 C7H7N5O1 non-polymer 0.00 0.00 GD1 GD3 Gd1 non-polymer 0.00 0.00 GD3 GD4 C24H27N1O5S1 non-polymer 0.00 0.00 GD4 GD5 C20Cl1H21N8 non-polymer 0.00 0.00 GD5 GD7 C7H17O2P1 non-polymer 0.50 0.40 GD7 GD8 C7H17O2P1 non-polymer 0.50 0.40 GD8 GD9 C23H27N7O3S2 non-polymer 0.00 0.00 GD9 GDA C6H13N1O5 non-polymer 1.00 1.00 GDA GDB C16H19N5O10S1 non-polymer 0.00 0.00 GDB GDC C16H25N5O16P2 non-polymer 1.00 0.56 GDC GDD C16H25N5O16P2 non-polymer 1.00 0.56 GDD GDE C7H6O5 non-polymer 0.00 0.00 GDE GDG C16H25N5O16P2 non-polymer 1.00 0.56 GDG GDH C24H26N2O2 non-polymer 0.00 0.00 GDH GDI C22H24N4O1 non-polymer 0.00 0.00 GDI GDK C18H16N2O1 non-polymer 0.00 0.00 GDK GDL C8H13N1O6 non-polymer 1.00 1.00 GDL GDM C29H40N2O9 non-polymer 0.00 0.00 GDM GDN C16H19N5O10S1 non-polymer 0.00 0.00 GDN GDO C10H14N5O7P1 RNA linking 1.00 0.39 GDO GDP C10H15N5O11P2 RNA linking 1.00 0.36 GDP GDQ C7H13N1O3 non-polymer 1.00 1.00 GDQ GDR C16H25N5O15P2 RNA linking 1.00 0.55 GDR GDS C20H32N6O12S2 non-polymer 0.00 0.00 GDS GDT C27H44N4O6 non-polymer 0.50 0.41 GDT GDU C15H24N2O17P2 non-polymer 1.00 0.61 GDU GDV C17H21N4O5 non-polymer 1.00 0.46 GDV GDW C21H24N2O2 non-polymer 0.00 0.00 GDW GDX C16H23N5O17P2 non-polymer 1.00 0.57 GDX GDY C16H13N1O3S2 non-polymer 0.00 0.00 GDY GDZ C21F1H21N6O1 non-polymer 0.00 0.00 GDZ GE1 C6H14N2O2 D-saccharide 0.00 0.00 GE1 GE2 C6H14N2O1 non-polymer 1.00 1.00 GE2 GE3 C7H15N1O4 non-polymer 1.00 0.92 GE3 GE8 C13Cl1H18N1O2S1 non-polymer 0.56 0.39 GE8 GEB C10H18N2O2 non-polymer 0.00 0.00 GEB GEE C4H9N1O2 L-peptide linking 0.61 1.00 GEE GEG C6H11N1O2 non-polymer 0.56 0.89 GEG GEH C12Cl1H16N1O2S1 non-polymer 0.56 0.41 GEH GEK C16H22N6O7S1 non-polymer 1.00 0.30 GEK GEL C20H45N1O8P2 non-polymer 0.98 0.45 GEL GEM C7H13N3O4S1 non-polymer 0.96 0.53 GEM GEN C15H10O5 non-polymer 0.00 0.00 GEN GEO C9F2H11N3O4 non-polymer 1.00 0.50 GEO GEP C19H29N2O3 non-polymer 0.00 0.00 GEP GEQ C26H23N3O1 non-polymer 0.00 0.00 GEQ GER C20H34 non-polymer 0.50 1.00 GER GET C20H40N4O10 non-polymer 1.00 0.97 GET GEV C23H18N2O4S1 non-polymer 0.00 0.00 GEV GEY C12H22O2 non-polymer 0.56 0.50 GEY GEZ C19H24N4O3S1 non-polymer 0.38 0.07 GEZ GF0 C10F1H12N5O4 non-polymer 1.00 0.45 GF0 GF1 C12H15N1O4 non-polymer 0.64 0.35 GF1 GF2 C10F1H13N5O7P1 DNA linking 1.00 0.38 GF2 GF4 C7H10N6O1 non-polymer 0.00 0.00 GF4 GF5 C12F1H20N3O8S2 non-polymer 0.00 0.00 GF5 GF7 C13H13N1O4 non-polymer 0.62 0.17 GF7 GF8 C10Cl2H11N1O1S1 non-polymer 0.00 0.00 GF8 GFA C21Cl1H16N1O3 non-polymer 0.00 0.00 GFA GFB C16H25N5O15P2 non-polymer 1.00 0.55 GFB GFC C11Cl1F1H16N5O12P3 non-polymer 1.00 0.27 GFC GFE C11Cl2H13N5 non-polymer 0.00 0.00 GFE GFF C11F2H16N5O12P3 non-polymer 1.00 0.27 GFF GFG C18H32O16 D-saccharide 1.00 1.00 GFG GFH C11F1H17N5O12P3 non-polymer 1.00 0.28 GFH GFJ C24F3H15N8 non-polymer 0.00 0.00 GFJ GFK C19F3H19N4O3S1 non-polymer 0.00 0.00 GFK GFL C10F1H13N5O7P1 DNA linking 1.00 0.38 GFL GFM C12F1H19N5O12P3 non-polymer 1.00 0.27 GFM GFN C19F1H22N3O4 non-polymer 0.00 0.00 GFN GFP C6F1H12O8P1 D-saccharide 1.00 0.69 GFP GFQ C19F3H23N2O1S1 non-polymer 0.00 0.00 GFQ GFT C10H20N1O5P1 L-peptide linking 0.83 0.41 GFT GFV C19H20N2O4S1 non-polymer 0.00 0.00 GFV GFW C18H24N2O4S2 non-polymer 0.55 0.27 GFW GFZ C29H30N2O3 non-polymer 0.36 0.12 GFZ GG1 C26H20N2O4 non-polymer 0.00 0.06 GG1 GG2 C25H25N5O4 non-polymer 0.00 0.00 GG2 GG3 C14H25N1O7P2 non-polymer 0.00 0.00 GG3 GG4 C37H57N7O8 non-polymer 0.38 0.04 GG4 GG5 C14F1H10N3 non-polymer 0.00 0.00 GG5 GG6 C3H9O5P1 non-polymer 0.75 0.56 GG6 GG7 C2H8N1O3P1 non-polymer 0.00 0.00 GG7 GG8 C9F3H10N1O2S1 non-polymer 0.00 0.00 GG8 GG9 C10F2H14O14P2 non-polymer 0.00 0.00 GG9 GGA C17H37N5O9P2 non-polymer 0.00 0.00 GGA GGB C5H12N4O3 non-polymer 0.67 0.67 GGB GGC C21H25N3O6S1 non-polymer 0.00 0.00 GGC GGD C52H94O15 non-polymer 1.00 0.72 GGD GGE C17H20O6 non-polymer 1.00 0.39 GGE GGG C6H11N3O4 non-polymer 0.00 0.00 GGG GGH C11H18N5O12P3 non-polymer 1.00 0.29 GGH GGJ C22H20N4O1 non-polymer 0.00 0.00 GGJ GGK C13F3H15N2O4S2 non-polymer 0.00 0.08 GGK GGL C5H9N1O4 L-gamma-peptide, C-delta linking 0.68 1.00 GGL GGM C18H24N7O14P3 non-polymer 1.00 0.24 GGM GGN C21F3H20N3O1S1 non-polymer 0.00 0.00 GGN GGO C20F3H19N2O3 non-polymer 0.00 0.00 GGO GGP C41H32O26 non-polymer 1.00 0.21 GGP GGS C20H36O6P2S1 non-polymer 0.38 0.69 GGS GGT C42H52O20 non-polymer 1.00 0.65 GGT GGV C49H63N7O7 non-polymer 0.45 0.24 GGV GGW C39H53N5O7 non-polymer 0.38 0.12 GGW GGX C47H59N7O6 non-polymer 0.38 0.10 GGX GGY C24F3H25N4O2S1 non-polymer 0.58 0.12 GGY GGZ C10H13N5O12P2S1 non-polymer 1.00 0.33 GGZ GH1 C19H17N1O5S1 non-polymer 0.95 0.15 GH1 GH2 C17F3H17N2O3S1 non-polymer 0.55 0.27 GH2 GH3 C10H16N5O13P3 RNA linking 1.00 0.29 GH3 GH4 C21F1H19N4O3 non-polymer 0.00 0.00 GH4 GH5 C17F3H18N3O2 non-polymer 0.00 0.00 GH5 GH7 C6H9N1O4 non-polymer 0.00 0.00 GH7 GH8 C30H32N2O3 non-polymer 0.36 0.11 GH8 GHA C9H18N1O9S1 non-polymer 1.00 0.80 GHA GHB C16F3H19N4O1 non-polymer 0.00 0.00 GHB GHC C20H20N4O6S2 L-peptide linking 0.68 0.38 GHC GHE C16H24N2O6 non-polymer 0.00 0.00 GHE GHG C5H10N2O4 L-peptide linking 0.58 1.00 GHG GHJ C29H53N5O7S1 non-polymer 0.00 0.00 GHJ GHK C15H14N2O4S2 non-polymer 0.00 0.09 GHK GHM C9H6O6 non-polymer 0.00 0.00 GHM GHN C16F3H17N2O4S2 non-polymer 0.55 0.26 GHN GHP C8H9N1O3 D-peptide linking 0.00 0.00 GHP GHQ C10F3H10N1O1 non-polymer 0.00 0.00 GHQ GHR C13Cl1H16N3O6 non-polymer 1.00 0.52 GHR GHS C7H15N3O2 non-polymer 0.00 0.00 GHS GHT C19H19N1O4 non-polymer 0.00 0.00 GHT GHV C27H32N4O4 non-polymer 0.35 0.40 GHV GHW C19H18N4O6S2 L-peptide linking 0.68 0.39 GHW GHX C24H27N3O5 non-polymer 0.36 0.59 GHX GHY C20H27N3O5 non-polymer 0.58 0.14 GHY GHZ C21H29N3O5 non-polymer 0.56 0.66 GHZ GI1 C10H17N2O6 non-polymer 1.00 1.00 GI1 GI2 C11H17N2O6 non-polymer 1.00 0.95 GI2 GI3 C9H13N2O6 non-polymer 1.00 0.71 GI3 GI4 C10H15N2O6 non-polymer 1.00 0.67 GI4 GI8 C24H23N5O2S1 non-polymer 0.50 0.16 GI8 GIA C20F1H16N1O3 non-polymer 0.45 0.36 GIA GIC C14H17N3O3 peptide-like 0.00 0.00 GIC GIF C6H13N1O3 non-polymer 1.00 1.00 GIF GIG C23F4H17N5O4 non-polymer 0.00 0.00 GIG GIL C30F2H35N5O5 non-polymer 1.00 0.36 GIL GIM C8H13N2O4 non-polymer 1.00 0.86 GIM GIN C23F3H22N3O2 non-polymer 0.00 0.00 GIN GIO C7H10N2O2 non-polymer 0.00 0.00 GIO GIP C17H23I1N4O8S1 non-polymer 0.00 0.00 GIP GIQ C11H10N4 non-polymer 0.00 0.00 GIQ GIR C6Cl1H11N4O1 non-polymer 0.00 0.00 GIR GIS C12Cl1H14N3O4 non-polymer 0.50 0.35 GIS GIV C6H12O6 L-saccharide 1.00 1.00 GIV GIX C34Ga1H32N4O4 non-polymer 0.38 0.09 GIX GJ1 C15H17N1O3 non-polymer 0.00 0.00 GJ1 GJ2 C18F3H17N2O4S2 non-polymer 0.00 0.07 GJ2 GJ5 C17F3H19N2O1S1 non-polymer 0.00 0.00 GJ5 GJ7 C26H26N4O4 non-polymer 1.00 0.32 GJ7 GJ8 C20F3H18N3O3S2 non-polymer 0.00 0.00 GJ8 GJA C25H24N4O4 non-polymer 1.00 0.48 GJA GJB C12H12N2O3 non-polymer 1.00 0.53 GJB GJD C12H18N6O2 non-polymer 1.00 0.55 GJD GJE C10F3H9N4O1 non-polymer 0.00 0.00 GJE GJG C12H17N3O1 non-polymer 0.00 0.00 GJG GJJ C24H30N6O3 non-polymer 1.00 0.70 GJJ GJP C10H7N1O3 non-polymer 0.00 0.00 GJP GJQ C15Cl2H12N6O2 non-polymer 0.00 0.00 GJQ GJS C8H6O5 non-polymer 0.00 0.00 GJS GJT C17H26N4O5 non-polymer 0.00 0.00 GJT GJV C13H21N8O3 non-polymer 1.00 0.42 GJV GJW C16H17N3O1 non-polymer 0.00 0.00 GJW GJY C19F1H34O2P1 non-polymer 0.42 0.52 GJY GJZ C9H11N1 non-polymer 0.00 0.00 GJZ GK0 C14H12N2O7 non-polymer 0.25 0.22 GK0 GK1 C20H15N3O2S1 non-polymer 0.00 0.00 GK1 GK2 B1C9H19N2O3 non-polymer 0.00 0.00 GK2 GK3 C24H18N4O2 non-polymer 0.00 0.00 GK3 GK4 C21H21N3O2 non-polymer 0.00 0.00 GK4 GK5 C22H24N2O2 non-polymer 0.00 0.00 GK5 GK6 C28H30N4O3 non-polymer 0.00 0.00 GK6 GK7 C40H55N7O10S1 non-polymer 0.38 0.03 GK7 GK8 As1C6H13N3O4 non-polymer 0.00 0.00 GK8 GK9 C16Cl1H14N3O2 non-polymer 0.00 0.00 GK9 GKA C40H55N7O9S1 non-polymer 0.38 0.04 GKA GKB C25F3H21N6O1 non-polymer 0.00 0.00 GKB GKD C16H23N5O16P2 non-polymer 1.00 0.56 GKD GKE C16H25N5O16P2 non-polymer 1.00 0.56 GKE GKG C37F3H47N6O9S1 non-polymer 0.50 0.09 GKG GKJ C38H52N6O9S1 non-polymer 0.00 0.00 GKJ GKK C20Cl1F3H19N3 non-polymer 0.00 0.00 GKK GKL C12H26N2O3 peptide-like 0.59 0.47 GKL GKM C39H52N6O9S1 non-polymer 0.00 0.00 GKM GKN C20H23N1O3 non-polymer 0.38 0.08 GKN GKP C22H18O12 non-polymer 0.94 0.53 GKP GKQ C21Cl1H23N4O1 non-polymer 0.00 0.00 GKQ GKR C6H8O8 non-polymer 0.97 1.00 GKR GKS C11H19N4O14P3 non-polymer 1.00 0.34 GKS GKT C21H23I1N4O1 non-polymer 0.00 0.00 GKT GKW C17H16N2O3 non-polymer 0.00 0.00 GKW GKY C23H33N1O2 non-polymer 0.00 0.00 GKY GKZ C24Cl1H28N4O3 non-polymer 0.00 0.00 GKZ GL0 C6H12O6 D-saccharide 1.00 1.00 GL0 GL1 C6H13O9P1 non-polymer 1.00 0.75 GL1 GL2 C8H13N3O7 D-saccharide 1.00 0.94 GL2 GL3 C2H5N1O1S1 L-peptide linking 0.00 0.00 GL3 GL4 C8H12N2O6S1 non-polymer 1.00 0.94 GL4 GL5 C8H12N2O8 D-saccharide 1.00 0.94 GL5 GL6 C8H18N1O8P1 saccharide 1.00 0.67 GL6 GL7 C9H14N2O7 D-saccharide 1.00 0.94 GL7 GL8 C32H37N2O5 non-polymer 0.00 0.00 GL8 GL9 C10H15N3O8 D-saccharide 1.00 0.81 GL9 GLA C6H12O6 D-saccharide 1.00 1.00 GLA GLB C6H12O6 D-saccharide 1.00 1.00 GLB GLC C6H12O6 D-saccharide 1.00 1.00 GLC GLD C6H12O4 saccharide 1.00 1.00 GLD GLE C16F3H32O6P1 non-polymer 1.00 0.54 GLE GLF C6F1H11O5 D-saccharide 1.00 0.92 GLF GLG C7H13N1O6 saccharide 1.00 1.00 GLG GLH C18H31N3O4 L-peptide linking 0.00 0.00 GLH GLI C29H47N5O7 non-polymer 0.55 0.37 GLI GLJ C5H11N1O4 L-peptide linking 0.77 1.00 GLJ GLK C5H11N1O4 peptide-like 0.77 1.00 GLK GLL C4H6N4O2 non-polymer 0.00 0.00 GLL GLM C3H7N1O1 L-peptide linking 0.00 0.00 GLM GLN C5H10N2O3 L-peptide linking 0.00 0.00 GLN GLN_LEO2 C5H8N2O3 NA 0.00 0.00 GLN_LEO2 GLN_LEO2H C5H9N2O3 NA 0.00 0.00 GLN_LEO2H GLN_LFOH C5H10N2O3 NA 0.00 0.00 GLN_LFOH GLN_LFZW C5H10N2O3 NA 0.00 0.00 GLN_LFZW GLN_LL C5H8N2O2 NA 0.00 0.00 GLN_LL GLN_LSN3 C5H10N2O2 NA 0.00 0.00 GLN_LSN3 GLO C6H12O6 D-saccharide 1.00 1.00 GLO GLP C6H14N1O8P1 saccharide 1.00 0.75 GLP GLR C6H6O7 non-polymer 0.96 1.00 GLR GLS C8H12N2O7 D-saccharide 1.00 1.00 GLS GLT C6H12O5S1 D-saccharide 1.00 1.00 GLT GLU C5H9N1O4 L-peptide linking 0.68 1.00 GLU GLU_LEO2 C5H7N1O4 NA 0.64 1.00 GLU_LEO2 GLU_LEO2H C5H8N1O4 NA 0.68 1.00 GLU_LEO2H GLU_LEO2H_DHE2 C5H7N1O4 NA 0.64 1.00 GLU_LEO2H_DHE2 GLU_LEO2_DHE2 C5H6N1O4 NA 0.59 1.00 GLU_LEO2_DHE2 GLU_LFOH C5H9N1O4 NA 0.68 1.00 GLU_LFOH GLU_LFOH_DHE2 C5H8N1O4 NA 0.64 1.00 GLU_LFOH_DHE2 GLU_LFZW C5H9N1O4 NA 0.64 1.00 GLU_LFZW GLU_LFZW_DHE2 C5H8N1O4 NA 0.59 1.00 GLU_LFZW_DHE2 GLU_LL C5H7N1O3 NA 0.00 0.00 GLU_LL GLU_LL_DHE2 C5H6N1O3 NA 0.00 0.00 GLU_LL_DHE2 GLU_LSN3 C5H9N1O3 NA 0.00 0.00 GLU_LSN3 GLU_LSN3_DHE2 C5H8N1O3 NA 0.00 0.00 GLU_LSN3_DHE2 GLV C2H2O3 non-polymer 0.00 0.00 GLV GLW C6H12O5 saccharide 1.00 1.00 GLW GLY C2H5N1O2 peptide linking 0.00 0.00 GLY GLY_LEO2 C2H3N1O2 NA 0.00 0.00 GLY_LEO2 GLY_LEO2H C2H4N1O2 NA 0.00 0.00 GLY_LEO2H GLY_LFOH C2H5N1O2 NA 0.00 0.00 GLY_LFOH GLY_LFZW C2H5N1O2 NA 0.00 0.00 GLY_LFZW GLY_LL C2H3N1O1 NA 0.00 0.00 GLY_LL GLY_LSN3 C2H5N1O1 NA 0.00 0.00 GLY_LSN3 GLZ C2H5N1O1 L-peptide linking 0.00 0.00 GLZ GM0 C7H15O10P1 non-polymer 1.00 0.78 GM0 GM1 C2H6N2O1 non-polymer 0.00 0.00 GM1 GM2 C43H85N1O8 non-polymer 1.00 0.23 GM2 GM3 C50H99N1O8 non-polymer 1.00 0.20 GM3 GM4 C19H27N1O1 non-polymer 0.38 0.10 GM4 GM5 C16H14N4O2S1 non-polymer 0.00 0.00 GM5 GM6 C20H28N4O4 non-polymer 0.00 0.00 GM6 GM7 C8H7N1O4 non-polymer 0.00 0.00 GM7 GM8 C10H19N1O2 non-polymer 0.00 0.00 GM8 GMA C5H10N2O3 L-peptide linking 0.00 0.00 GMA GMB C7H16O13P2 non-polymer 1.00 0.64 GMB GMC C12H18N6O3 non-polymer 1.00 0.48 GMC GMD C16H25N5O2S1 non-polymer 0.00 0.00 GMD GME C6H11N1O4 L-peptide linking 0.69 1.00 GME GMF C20H20N4O1 non-polymer 0.00 0.00 GMF GMG C25H18N2O2 non-polymer 0.00 0.00 GMG GMH C7H14O7 D-saccharide 1.00 1.00 GMH GMJ C21Cl1F1H23N1O2 non-polymer 0.00 0.00 GMJ GMK C28H36N2O15S2 non-polymer 1.00 0.77 GMK GMM C66H126O8 non-polymer 1.00 0.39 GMM GMN C30H60N3O3 non-polymer 0.50 0.83 GMN GMO C15H16N4O6 L-peptide linking 0.00 0.00 GMO GMP C10H13N5O5 non-polymer 1.00 0.50 GMP GMQ C34F1H34N7O5 non-polymer 0.38 0.04 GMQ GMR C24H34N4O5S1 non-polymer 0.00 0.00 GMR GMS C10H14N5O6P1Se1 DNA linking 1.00 0.39 GMS GMT C12H19N1O10 non-polymer 1.00 1.00 GMT GMU C13H24N5O9P1 RNA linking 1.00 0.64 GMU GMV C10H17N5O12P1V1 non-polymer 1.00 0.34 GMV GMW C37F1H37N6O5 non-polymer 0.38 0.04 GMW GMY C29H40N2O9 non-polymer 0.00 0.00 GMY GMZ C7H16O13P2 non-polymer 1.00 0.64 GMZ GN0 C25Cl1H23N2O3S2 non-polymer 1.00 0.42 GN0 GN1 C8H16N1O9P1 D-saccharide 1.00 0.79 GN1 GN2 C25Cl1H23N2O3S2 non-polymer 1.00 0.42 GN2 GN4 C8H16N1O9P1 non-polymer 1.00 0.79 GN4 GN5 C17H19N3O1 non-polymer 0.38 0.10 GN5 GN7 C10H14N5O7P1 DNA linking 1.00 0.39 GN7 GN8 C17H12N2O4S2 non-polymer 0.00 0.00 GN8 GNA C12H22N4O7 non-polymer 1.00 0.87 GNA GNB C18H24N4O10S1 non-polymer 0.00 0.00 GNB GNC C6H12N2O3 L-peptide linking 0.59 0.73 GNC GND C6H15N4O2 L-peptide linking 0.43 0.83 GND GNE C12H14N5O7P1 DNA linking 1.00 0.36 GNE GNF C25H32N4O3 non-polymer 0.00 0.00 GNF GNG C10H13N5O4 non-polymer 1.00 0.47 GNG GNH C10H16N6O10P2 non-polymer 1.00 0.36 GNH GNI C26Cl2H20N2O5 non-polymer 0.57 0.17 GNI GNJ C10H7N1O6S1 non-polymer 0.00 0.00 GNJ GNK C15Cl1H18N1O1 non-polymer 0.00 0.00 GNK GNL C8H13N1O4S1 non-polymer 1.00 0.79 GNL GNM Br1C10H6N1O3 non-polymer 0.00 0.00 GNM GNP C10H17N6O13P3 non-polymer 1.00 0.31 GNP GNQ C25F3H31N4O6S1 non-polymer 0.00 0.00 GNQ GNR C10H10N2O3S1 non-polymer 0.00 0.00 GNR GNS C6H13N1O8S1 non-polymer 1.00 0.75 GNS GNT C17H21N1O3 non-polymer 0.00 0.00 GNT GNV C11H7N1O5 non-polymer 0.00 0.00 GNV GNW C11Cl1H15N2 non-polymer 0.00 0.00 GNW GNX C6H13N1O11S2 saccharide 1.00 0.60 GNX GNY C13H13N1O3 non-polymer 0.00 0.00 GNY GNZ C16F3H18N1O1 non-polymer 0.00 0.00 GNZ GO0 C11Cl2H7N1O4 non-polymer 0.00 0.00 GO0 GO1 C11Cl2H7N1O4 non-polymer 0.00 0.00 GO1 GO2 C8H8N4S1 non-polymer 0.00 0.00 GO2 GO5 C16Cl1H20N1O1 non-polymer 0.00 0.00 GO5 GO7 C25F4H28N2O6 non-polymer 0.69 0.16 GO7 GO8 C8H11N5S1 non-polymer 0.00 0.00 GO8 GOA C2H4O3 non-polymer 0.00 0.00 GOA GOB C24H25N3O7S1 non-polymer 0.00 0.00 GOB GOD C20F5H19N4O4 non-polymer 1.00 0.33 GOD GOE C10H15N3O1 non-polymer 0.00 0.00 GOE GOG C8H6O5 non-polymer 0.00 0.00 GOG GOH C11H10N6O1 non-polymer 0.00 0.00 GOH GOI C29H39N3O6 non-polymer 1.00 0.32 GOI GOJ C6H8N2O2 non-polymer 0.75 0.50 GOJ GOK C21H26N6O2 non-polymer 0.00 0.00 GOK GOL C3H8O3 non-polymer 0.97 1.00 GOL GOM C15H22N6O9P1 RNA linking 1.00 0.65 GOM GON C23H26N4O3 non-polymer 0.00 0.00 GON GOO C6H13N1O4 non-polymer 1.00 0.91 GOO GOP C11H22N2O8 non-polymer 0.97 0.86 GOP GOS C6H16O12P2 non-polymer 1.00 0.60 GOS GOV C11H15N1O3 non-polymer 0.00 0.00 GOV GOW C15H14N2O3 non-polymer 0.00 0.00 GOW GOX C6H12N2O5 non-polymer 1.00 0.92 GOX GOY C11H20N2O1 non-polymer 0.00 0.00 GOY GP0 C11F1H15N2O8 non-polymer 1.00 0.95 GP0 GP1 C6H14N1O8P1 saccharide 1.00 0.75 GP1 GP2 C11H17N5O10P2 non-polymer 1.00 0.36 GP2 GP3 C20H27N10O18P3 non-polymer 1.00 0.39 GP3 GP4 C6H14N1O8P1 saccharide 1.00 0.75 GP4 GP5 C20H29N10O24P5 non-polymer 1.00 0.34 GP5 GP6 C14Cl1H13N4O1 non-polymer 0.00 0.00 GP6 GP7 C36H68N1O8P1 non-polymer 0.98 0.61 GP7 GP8 C20H18N4O2 non-polymer 0.00 0.00 GP8 GP9 C3H7O6P1 non-polymer 0.98 0.60 GP9 GPA C4H10N4O2 non-polymer 0.40 0.80 GPA GPB C21H23N5O5 non-polymer 0.68 0.39 GPB GPC C19F1H24N8O11P1 non-polymer 1.00 0.47 GPC GPD C16H26N6O13P2 non-polymer 1.00 0.54 GPD GPE C5H14N1O6P1 non-polymer 0.98 0.85 GPE GPF C3H8N1O5P1 non-polymer 0.00 0.00 GPF GPG C20H25N10O12P1 non-polymer 1.00 0.47 GPG GPH C7H15O10P1 D-saccharide 1.00 0.78 GPH GPI C20H28N2O4 non-polymer 0.54 0.69 GPI GPJ C3H9N1O5P1 non-polymer 0.00 0.00 GPJ GPK C10F1H13N2O7 non-polymer 1.00 0.95 GPK GPL C16H26N7O9P1 L-peptide linking 1.00 0.30 GPL GPM C7H15O8P1 saccharide 1.00 0.75 GPM GPN C11H16N7O4 peptide-like 0.00 0.00 GPN GPO C7H15O10P1 non-polymer 1.00 0.78 GPO GPP C10H20O7P2 non-polymer 0.62 0.58 GPP GPQ C10Cl1H13N2O7 non-polymer 1.00 0.60 GPQ GPR C24H27N3O7S1 non-polymer 0.00 0.00 GPR GPS C24H27N3O7S1 non-polymer 0.00 0.00 GPS GPT C15F1H22N1O4 non-polymer 1.00 0.71 GPT GPU Br1C10H13N2O7 non-polymer 1.00 0.60 GPU GPV C10H13I1N2O7 non-polymer 1.00 0.60 GPV GPW C11F3H13N2O7 non-polymer 1.00 0.52 GPW GPX C10H14N5O13P3 non-polymer 1.00 0.32 GPX GQ1 C6H12O9S1 D-saccharide 1.00 0.75 GQ1 GQ2 C12H22O14S1 D-saccharide 1.00 0.85 GQ2 GQ4 C24H42O24S1 D-saccharide 1.00 0.92 GQ4 GQ5 C22H24N6O1 non-polymer 0.00 0.00 GQ5 GQ7 C11H11N1O2 non-polymer 0.00 0.00 GQ7 GQ8 C24H26N6O1 non-polymer 0.00 0.00 GQ8 GQA C6H7N1O1S1 non-polymer 0.00 0.00 GQA GQB C17H16N4O1S1 non-polymer 0.00 0.00 GQB GQD C23H27N1O3 non-polymer 0.58 0.19 GQD GQE C15H14N2O4 non-polymer 0.00 0.00 GQE GQG C20H21N2 non-polymer 0.20 0.14 GQG GQH C30H43N7O5S1 non-polymer 0.00 0.00 GQH GQJ C11H13N1O5 non-polymer 0.56 0.41 GQJ GQK C31H44N4O7 non-polymer 0.70 0.50 GQK GQL C21F2H14N2O2 non-polymer 0.00 0.00 GQL GQM C10H10N2O2 non-polymer 0.00 0.00 GQM GQN C21H18N2O4 non-polymer 0.00 0.00 GQN GQP C14F1H11N2 non-polymer 0.00 0.00 GQP GQQ C29H44N6O5S1 non-polymer 0.00 0.00 GQQ GQS C9F1H8N3S1 non-polymer 0.00 0.00 GQS GQT C30H43N7O6S1 non-polymer 0.00 0.00 GQT GQV C6H7N1O2 non-polymer 0.00 0.00 GQV GQW C16Cl1H11N2O3S1 non-polymer 0.00 0.00 GQW GQY C11H16N2O2 non-polymer 0.00 0.00 GQY GQZ C14H12N2O3 non-polymer 0.00 0.00 GQZ GR0 C20H35O4P1 non-polymer 0.62 0.84 GR0 GR1 C27H35N3O4 non-polymer 0.50 0.21 GR1 GR2 C17H14O5 non-polymer 0.00 0.00 GR2 GR3 C32H46O7 non-polymer 0.43 0.33 GR3 GR4 C38H56O14 non-polymer 1.00 0.71 GR4 GR5 C34F2H42N4O7S2 non-polymer 0.00 0.00 GR5 GR6 C32H42N2O9S1 non-polymer 0.00 0.00 GR6 GR7 C32H42N2O9S1 non-polymer 0.00 0.00 GR7 GR8 C34F2H42N4O7S2 non-polymer 0.00 0.00 GR8 GR9 C21H23N7O3S1 non-polymer 0.00 0.00 GR9 GRA C26H42N7O19P3S1 non-polymer 1.00 0.41 GRA GRB Br1C10H13N5O8P1 RNA linking 1.00 0.40 GRB GRC C11Cl1H17N5O12P3 non-polymer 1.00 0.28 GRC GRD C27H38N8O5 non-polymer 0.50 0.55 GRD GRE C7H6O4 non-polymer 0.00 0.00 GRE GRF C5H12N1O7P1 non-polymer 1.00 0.71 GRF GRG C20H36O7P2 non-polymer 0.62 0.72 GRG GRI C15H10N2O4 non-polymer 0.00 0.00 GRI GRK C16H16N2O4 non-polymer 0.00 0.00 GRK GRL C29H40N2O7S1 non-polymer 0.00 0.00 GRL GRM C26H28N2O3 non-polymer 0.00 0.00 GRM GRN C9H11N1O2 non-polymer 0.93 0.33 GRN GRO C9H10O2 non-polymer 0.46 0.73 GRO GRP C24H34N7O18P3 non-polymer 1.00 0.38 GRP GRQ C10H16O1 non-polymer 0.50 1.00 GRQ GRR C17H18O3 non-polymer 0.00 0.00 GRR GRT C29H41N7O5S1 non-polymer 0.00 0.00 GRT GRV C13H17N3O1 non-polymer 0.00 0.00 GRV GRW C31H45N7O6S1 non-polymer 0.00 0.00 GRW GRX C7F1H14O8P1 non-polymer 1.00 0.71 GRX GRY C12H14N4 non-polymer 0.00 0.00 GRY GRZ C15Cl1F1H10N4O3 non-polymer 0.00 0.00 GRZ GS C10H14N5O6P1S1 DNA linking 1.00 0.39 GS GS1 C6H12O5S1 D-saccharide 1.00 0.92 GS1 GS2 C27F1H27N8O3 non-polymer 0.50 0.10 GS2 GS3 C27F1H31N8O2 non-polymer 0.36 0.11 GS3 GS4 C6H12O5S1 D-saccharide 1.00 0.92 GS4 GS5 C19Cl1H22N3O5S2 non-polymer 0.00 0.00 GS5 GS6 C19Cl1H22N3O5S2 non-polymer 0.00 0.00 GS6 GS7 C22F1H21N6O4S1 non-polymer 0.00 0.00 GS7 GS8 C10H17N3O7S1 non-polymer 0.00 0.00 GS8 GS9 C16H18O5S1 non-polymer 1.00 0.50 GS9 GSA C6H12O9S1 saccharide 1.00 0.75 GSA GSB C17H23N3O6S1 non-polymer 0.00 0.00 GSB GSC C4H9N1O2S1 L-peptide linking 0.00 0.00 GSC GSD C6H12O5S1 D-saccharide 1.00 0.92 GSD GSE C6H14N1O8P1 non-polymer 0.98 0.88 GSE GSF C10H17N3O8S1 non-polymer 0.00 0.00 GSF GSG C22H27N3O3 non-polymer 0.00 0.00 GSG GSH C10H17N3O6S1 non-polymer 0.00 0.00 GSH GSI C22Cl1F1H25N5O3S2 non-polymer 0.20 0.09 GSI GSJ C23Cl1H31N4O6S2 non-polymer 0.36 0.11 GSJ GSK C21Cl1H24N3O5S1 non-polymer 0.00 0.00 GSK GSL C38H73N1O9 non-polymer 1.00 0.27 GSL GSM C11H19N3O6S1 non-polymer 0.00 0.00 GSM GSN C10H14N4O7S1 non-polymer 0.00 0.00 GSN GSO C18H25N3O7S1 non-polymer 0.00 0.00 GSO GSP C10H16N5O13P3S1 non-polymer 1.00 0.31 GSP GSQ C19Cl1H23N4O5S1 non-polymer 0.00 0.00 GSQ GSR C18H22N5O8P1 DNA linking 1.00 0.28 GSR GSS C18H22N5O8P1 DNA linking 1.00 0.28 GSS GST C10H20O6P2S1 non-polymer 0.38 0.53 GST GSU C15H21N7O9S1 L-peptide linking 1.00 0.31 GSU GSV C23Cl1F1H22N2O5S3 non-polymer 0.00 0.00 GSV GSW C10H17N3O6S1 non-polymer 0.00 0.00 GSW GSX C19Cl1H22N3O5S3 non-polymer 0.00 0.00 GSX GSY C7H9N5O2S1 non-polymer 0.00 0.00 GSY GSZ C20H28N3O4 non-polymer 1.00 0.44 GSZ GT0 C9H13N1O3 non-polymer 1.00 0.92 GT0 GT1 C9H14N1O6P1 non-polymer 1.00 0.71 GT1 GT2 C14Cl3H9N2O3 non-polymer 0.00 0.00 GT2 GT4 C9H11N1O3 non-polymer 0.64 0.46 GT4 GT5 C27H41N5O6S2 non-polymer 0.44 0.40 GT5 GT6 C42F2H56N8O6 non-polymer 0.45 0.24 GT6 GT7 C9H14N2O1 non-polymer 0.00 0.00 GT7 GT8 C32H52N4O7 non-polymer 0.70 0.49 GT8 GT9 C12H25N1O2S1 L-peptide linking 0.00 0.00 GT9 GTA C21H30N10O17P3 non-polymer 1.00 0.39 GTA GTB C17H22N4O8S1 non-polymer 0.00 0.00 GTB GTC C9H13N3O2S1 non-polymer 0.00 0.00 GTC GTD C16H20N6O12S1 non-polymer 0.00 0.00 GTD GTE H1O1 saccharide 0.00 0.00 GTE GTF C9F2H14N3O13P3 non-polymer 1.00 0.30 GTF GTG C21H30N10O18P3 non-polymer 1.00 0.38 GTG GTH C18H32N2O13 saccharide 1.00 1.00 GTH GTI C12H14N4S1 non-polymer 0.00 0.00 GTI GTJ C13H17N3O1 non-polymer 0.00 0.00 GTJ GTK C6H10O7 D-saccharide 1.00 1.00 GTK GTL C6H12N2O5 non-polymer 1.00 0.92 GTL GTM C7H14O5S1 non-polymer 1.00 0.85 GTM GTN C10H17N6O13P3 non-polymer 1.00 0.31 GTN GTO C11H18N5O13P3 non-polymer 1.00 0.31 GTO GTP C10H16N5O14P3 non-polymer 1.00 0.31 GTP GTQ C7H6O4 non-polymer 0.00 0.00 GTQ GTR C6H10O7 D-saccharide 1.00 1.00 GTR GTS C10H17N3O9S1 non-polymer 0.00 0.00 GTS GTT C10H18N3O6S1 non-polymer 0.00 0.00 GTT GTV C12H13O5P1 non-polymer 0.00 0.00 GTV GTW C32H49N5O5S2 non-polymer 0.00 0.00 GTW GTX C16H30N3O6S1 non-polymer 0.00 0.00 GTX GTY C18H33N3O6S1 non-polymer 0.00 0.00 GTY GTZ C6H10N4O4 non-polymer 1.00 0.86 GTZ GU0 C6H9O15S3 D-saccharide 1,4 and 1,4 linking 1.00 0.50 GU0 GU1 C8H14O7 D-saccharide 1,4 and 1,4 linking 1.00 0.87 GU1 GU2 C8H14O7 L-saccharide 1,4 and 1,4 linking 1.00 0.87 GU2 GU3 C8H16O12S2 D-saccharide 1.00 0.55 GU3 GU4 C6H8O18S4 D-saccharide 1,4 and 1,4 linking 1.00 0.43 GU4 GU5 C8H15O9S1 D-saccharide 1,4 and 1,4 linking 1.00 0.67 GU5 GU6 C6H12O15S3 D-saccharide 1.00 0.50 GU6 GU7 C10H16N6O3 non-polymer 0.64 0.32 GU7 GU8 C9H18O6 D-saccharide 1,4 and 1,4 linking 1.00 0.80 GU8 GU9 C9H18O6 D-saccharide 1,4 and 1,4 linking 1.00 0.80 GU9 GUA C5H8O4 non-polymer 0.00 0.00 GUA GUB C18H21N5O4 non-polymer 1.00 0.37 GUB GUD C15H24N2O17P2 non-polymer 1.00 0.61 GUD GUE C20H22N7O6 non-polymer 0.68 0.36 GUE GUF C6F1H9O6 saccharide 1.00 0.92 GUF GUG C13H14N2O1 non-polymer 0.50 0.38 GUG GUH H26O26 non-polymer 0.00 0.00 GUH GUI C30Cl1H40N7O3S1 non-polymer 0.00 0.00 GUI GUJ C17H17N3O1S1 non-polymer 0.00 0.00 GUJ GUK C16Cl1H15N6 non-polymer 0.36 0.17 GUK GUL C6F2H10O5 non-polymer 1.00 0.85 GUL GUM C26H34N2O13 non-polymer 1.00 0.71 GUM GUN C5H5N5O1 non-polymer 0.00 0.00 GUN GUO C15H25N5O15P2 non-polymer 1.00 0.54 GUO GUP C6H12O6 L-saccharide 1.00 1.00 GUP GUQ C18H13N3O3S1 non-polymer 1.00 0.44 GUQ GUR C4H6N4O2 non-polymer 0.00 0.00 GUR GUS C11H14N4O3 non-polymer 0.64 0.33 GUS GUV C13H14N4O1 non-polymer 0.00 0.00 GUV GUX C15H27N4O5 non-polymer 1.00 0.54 GUX GUY C9H11N5O2 non-polymer 0.00 0.00 GUY GUZ C6F1H9O6 saccharide 1.00 0.92 GUZ GV0 C33F2H37N7O4 non-polymer 0.00 0.00 GV0 GV1 C10H13N3S1 non-polymer 0.20 0.21 GV1 GV2 C28H26N6O2 non-polymer 0.00 0.00 GV2 GV4 C9H12N4O1 non-polymer 0.00 0.00 GV4 GV5 C22H21N5O2S1 non-polymer 0.20 0.10 GV5 GV7 C12H12N5O1 non-polymer 0.00 0.00 GV7 GV8 C23H18N4O3S1 non-polymer 0.00 0.00 GV8 GV9 C7H7N1O3S1 non-polymer 0.00 0.00 GV9 GVA C6H13N3O2 non-polymer 0.00 0.00 GVA GVB C20H26N2O2 non-polymer 0.00 0.00 GVB GVC C10Cl2H7N3O2 non-polymer 0.00 0.00 GVC GVD C22H19N7 non-polymer 0.00 0.00 GVD GVE C5H11N1O2 peptide-like 0.69 0.75 GVE GVF C6H10O16P4 non-polymer 0.00 0.00 GVF GVG C10H10N2 non-polymer 0.00 0.00 GVG GVH C7H6N2 non-polymer 0.00 0.00 GVH GVI C13H13N5 non-polymer 0.00 0.00 GVI GVJ C18H15N5 non-polymer 0.00 0.00 GVJ GVK C22Cl1H20N5 non-polymer 0.00 0.00 GVK GVL C9H19N2O8P1 L-peptide linking 0.83 0.90 GVL GVM C8H16O3 non-polymer 0.38 0.18 GVM GVN C17Cl1H16N3 non-polymer 0.00 0.00 GVN GVO C17Cl1H16N3 non-polymer 0.00 0.00 GVO GVP C20Cl1H20N3 non-polymer 0.00 0.00 GVP GVQ C14Cl1H14N1 non-polymer 0.00 0.00 GVQ GVR C23H20N2O4S1 non-polymer 0.00 0.00 GVR GVS C17H22N4O6S1 non-polymer 0.55 0.25 GVS GVT C28H58O10 non-polymer 0.88 0.82 GVT GVV C10H13N1O2 non-polymer 0.00 0.00 GVV GVW C35H56N4O7 non-polymer 0.70 0.46 GVW GVX C19H26N4O6S2 peptide-like 0.43 0.39 GVX GVY C8H7N3O1S1 non-polymer 0.00 0.00 GVY GVZ C35H56N4O7 non-polymer 0.70 0.46 GVZ GW0 C21F4H17N1O3S2 non-polymer 0.00 0.00 GW0 GW1 C10Cl1H14N3O1 non-polymer 0.00 0.00 GW1 GW2 C35H56N4O7 non-polymer 0.70 0.15 GW2 GW3 C15H19N5 non-polymer 0.00 0.00 GW3 GW4 C36H35N3O4 non-polymer 0.00 0.00 GW4 GW5 C25H22O2 non-polymer 0.58 0.19 GW5 GW6 C27F3H29O6S1 non-polymer 0.00 0.00 GW6 GW7 C21Cl1F1H17N3O1S1 non-polymer 0.00 0.00 GW7 GW8 C32H36N8O4S1 non-polymer 0.00 0.00 GW8 GW9 C13Cl1H9N2O3 non-polymer 0.00 0.00 GW9 GWA C11H14N2O3 non-polymer 0.64 0.38 GWA GWB C17F1H16N1O2 non-polymer 0.00 0.00 GWB GWD Br2C15H8I1N1O2 non-polymer 0.00 0.00 GWD GWE C23Cl1F4H19N2O5S1 non-polymer 0.00 0.00 GWE GWG C9H9N3O1 non-polymer 0.00 0.00 GWG GWH C22F1H22N5O3S1 non-polymer 0.00 0.00 GWH GWI C26Cl2H21N3O6S1 non-polymer 0.00 0.00 GWI GWJ C23Cl2H17N3O5S1 non-polymer 0.00 0.00 GWJ GWK C32H52N4O7 non-polymer 0.70 0.49 GWK GWM C7H9O4P1 non-polymer 0.00 0.00 GWM GWN H23O28 non-polymer 0.00 0.00 GWN GWP C7H9N3O1 non-polymer 0.00 0.00 GWP GWS C13H18N2O1 non-polymer 0.00 0.00 GWS GWT C37H61N4O7 non-polymer 0.70 0.44 GWT GWV C12H20N2 non-polymer 0.36 0.29 GWV GWW H6O5 non-polymer 0.00 0.00 GWW GWX C26H46N4O4 non-polymer 0.00 0.00 GWX GWY C10Cl1H14N3O1 non-polymer 0.00 0.00 GWY GWZ C40H61N5O7 non-polymer 0.70 0.13 GWZ GX1 C12H19N6O6P1S1 DNA linking 1.00 0.35 GX1 GX2 H31O47 non-polymer 0.00 0.00 GX2 GX4 C14F1H17N2O1 non-polymer 0.00 0.00 GX4 GX7 C10H15N3O2 non-polymer 1.00 0.60 GX7 GXA C25F3H25N4O4 non-polymer 0.00 0.00 GXA GXB C92H139N21O37 non-polymer 1.00 0.50 GXB GXD C10Cl2H6O4 non-polymer 0.94 0.50 GXD GXE C6H6Se1 non-polymer 0.00 0.00 GXE GXG C10F2H6O4 non-polymer 0.94 0.50 GXG GXH C31F1H28N5O3S1 non-polymer 0.00 0.00 GXH GXK C17Cl1H15N6 non-polymer 0.00 0.00 GXK GXL C6H12O6 L-saccharide 1.00 1.00 GXL GXM C10H7N1O6 non-polymer 0.94 0.47 GXM GXN Br1C19H23N2O6S1 non-polymer 0.00 0.00 GXN GXP C5H6O5 non-polymer 0.96 1.00 GXP GXS C5H6O5 non-polymer 0.96 1.00 GXS GXT C2H2O2 non-polymer 0.00 0.00 GXT GXV C3H6O3 non-polymer 1.00 1.00 GXV GXX C16H28O14 non-polymer 1.00 1.00 GXX GXY Br1C8H10N1O2 non-polymer 0.00 0.00 GXY GY3 C18H22N2O3 non-polymer 0.38 0.09 GY3 GY4 C17Cl1H16N3O5 non-polymer 1.00 0.54 GY4 GY5 C20H24N4O6 non-polymer 1.00 0.60 GY5 GY6 C24Cl2H22N4O4 non-polymer 1.00 0.41 GY6 GY7 C24F2H22N4O4 non-polymer 1.00 0.41 GY7 GY8 C24Cl2H21N5O4 non-polymer 1.00 0.40 GY8 GY9 C25Cl1H25N4O6 non-polymer 1.00 0.47 GY9 GYA C28Cl1H29N4O6S1 non-polymer 1.00 0.35 GYA GYB Br1C19H19N4O3 non-polymer 0.00 0.00 GYB GYC C14H15N3O4S1 L-peptide linking 0.00 0.00 GYC GYD C29H52N10O6 non-polymer 0.00 0.00 GYD GYE C6H12O5 non-polymer 1.00 1.00 GYE GYG C11H22N4O8S1 D-saccharide 1.00 0.71 GYG GYK C19H20N4O3 non-polymer 0.00 0.00 GYK GYL C18Cl1F1H17N5O1 non-polymer 0.00 0.00 GYL GYM C17H34O4 non-polymer 0.98 0.48 GYM GYN C32H47N1O4 non-polymer 0.00 0.00 GYN GYP C7H14O6 D-saccharide 1.00 0.92 GYP GYR C27H31N1O4S1 non-polymer 0.00 0.00 GYR GYS C14H15N3O5 L-peptide linking 0.00 0.00 GYS GYT C28H50N4O17 non-polymer 1.00 0.88 GYT GYU C12H22N2O7 non-polymer 1.00 0.71 GYU GYV C9H16N2O7 saccharide 1.00 0.83 GYV GYY C22H34N4O1 non-polymer 0.00 0.00 GYY GYZ C13H16N2O6 non-polymer 1.00 0.52 GYZ GZ2 C7H9N5O1 non-polymer 0.00 0.00 GZ2 GZ3 C4H7O5P1 non-polymer 0.93 0.60 GZ3 GZ4 C21H21N4O2 non-polymer 0.00 0.00 GZ4 GZ5 C30Cl1H36N5O1 non-polymer 0.00 0.00 GZ5 GZ7 C23H30N5O4 non-polymer 0.00 0.00 GZ7 GZ8 C8H6O4S1 non-polymer 0.00 0.00 GZ8 GZA C17H13N5O2 non-polymer 0.00 0.00 GZA GZB C9H9N1O3 L-peptide NH3 amino terminus 0.81 0.54 GZB GZC C18H22N8O2 non-polymer 0.30 0.21 GZC GZD C19H37N2 non-polymer 0.20 0.14 GZD GZG C25H27N5O4 non-polymer 0.00 0.00 GZG GZJ C6H11N1O3 L-peptide linking 0.62 1.00 GZJ GZK C16Cl2H14N4O3S1 non-polymer 0.00 0.00 GZK GZL C6H12O6 D-saccharide 1.00 1.00 GZL GZN C21Cl2H16N4O2 non-polymer 0.00 0.00 GZN GZP C14H16N2O1 non-polymer 0.00 0.00 GZP GZQ C9Cl2H9N1O1 non-polymer 0.57 0.38 GZQ GZT C15F2H12N2O4 non-polymer 0.50 0.17 GZT GZV C11F2H8O4 non-polymer 0.94 0.47 GZV GZW C25Cl2H24N6O2 non-polymer 0.00 0.00 GZW GZY C13H17N1O2 non-polymer 0.00 0.00 GZY GZZ C18H41N7 non-polymer 0.00 0.00 GZZ H00 C4H8O2S1 non-polymer 0.00 0.00 H00 H01 C30H32N4O10S2 non-polymer 0.00 0.00 H01 H02 C35H42N4O4 non-polymer 0.00 0.00 H02 H04 C12H18N2O1 non-polymer 0.00 0.00 H04 H05 C12H13N5 non-polymer 0.00 0.00 H05 H06 C14H13N5O1 non-polymer 0.25 0.25 H06 H07 C17Cl1H17N5O6P1S1 non-polymer 1.00 0.32 H07 H08 C21Cl1H17N4O2 non-polymer 0.00 0.00 H08 H0A C15H19N1O2 non-polymer 0.00 0.00 H0A H0B C20Cl2H15N5O2 non-polymer 0.00 0.00 H0B H0D C11Cl1H15N2O2 non-polymer 0.50 0.38 H0D H0E C24H29N3O4S1 non-polymer 0.00 0.00 H0E H0G C12H12N2O2 non-polymer 0.00 0.00 H0G H0H C21H18N4O2 non-polymer 0.00 0.00 H0H H0J C10H8N2S2 non-polymer 0.00 0.00 H0J H0K C23H18N2O2 non-polymer 0.00 0.00 H0K H0M C13H12N2O2 non-polymer 0.00 0.00 H0M H0N C24Cl2H22N6O2 non-polymer 0.00 0.00 H0N H0P C13H12N2O2 non-polymer 0.00 0.00 H0P H0Q C21Cl1H17N4O2 non-polymer 0.00 0.00 H0Q H0S C12H11N5 non-polymer 0.00 0.00 H0S H0T C28H28N6O3S1 non-polymer 0.00 0.00 H0T H0V C14H15N5 non-polymer 0.00 0.00 H0V H0X C12H9N3O1S1 non-polymer 0.00 0.00 H0X H0Y C23H18N4O2S1 non-polymer 0.00 0.00 H0Y H0Z C20H17N1O6 non-polymer 0.00 0.00 H0Z H10 C21H26N2O3 non-polymer 0.29 0.15 H10 H11 C15H26N2O1S1 non-polymer 0.00 0.00 H11 H12 C18Cl1H22N1O2 non-polymer 0.00 0.00 H12 H13 C23H39N1O3 non-polymer 0.00 0.00 H13 H14 C9H11N1O3 L-peptide linking 0.00 0.00 H14 H15 C25H43N1O3 non-polymer 0.00 0.00 H15 H16 C18Cl1H22N1O1S1 non-polymer 0.00 0.00 H16 H17 C21Cl1H21N2O2 non-polymer 0.38 0.19 H17 H18 C18Cl1H22N1O2S1 non-polymer 0.00 0.00 H18 H19 C18Cl1H21N3 non-polymer 0.00 0.00 H19 H1A C12H17N1O2 non-polymer 0.00 0.00 H1A H1B C22F3H22N3O3S2 non-polymer 0.00 0.00 H1B H1D C8H16N2O6S1 non-polymer 0.76 0.47 H1D H1G C20H22N4O5 non-polymer 0.00 0.00 H1G H1H C24H32N2O6 non-polymer 0.00 0.00 H1H H1I C31H30N4O4S2 non-polymer 0.38 0.05 H1I H1J C14Cl1F1H11N1O1 non-polymer 0.00 0.00 H1J H1K C13Cl1H13N4O3 non-polymer 0.00 0.00 H1K H1L C15Cl1F3H11N1O4 non-polymer 0.98 0.25 H1L H1M C9H18O6 non-polymer 1.00 0.87 H1M H1N C29H32N4O3S1 non-polymer 0.00 0.00 H1N H1P C16F1H12N1O1 non-polymer 0.00 0.00 H1P H1Q C10H13N5O11V2 non-polymer 1.00 0.36 H1Q H1S C12H15N1O19S3 non-polymer 1.00 0.66 H1S H1T O20V7 non-polymer 0.00 0.00 H1T H1V C44Cl2H46N10O4S2 non-polymer 0.67 0.16 H1V H1W H5O5V1 non-polymer 0.00 0.00 H1W H1Y C14Cl1H12N1O1 non-polymer 0.00 0.00 H1Y H20 C18Cl1H22N1O2 non-polymer 0.00 0.00 H20 H21 C20Cl1F1H14N6O3S1 non-polymer 0.00 0.00 H21 H22 C22Cl1F1H20N4O3S1 non-polymer 0.00 0.00 H22 H23 C12H28O7P2 non-polymer 0.00 0.00 H23 H24 C19H21N3O2 non-polymer 0.00 0.00 H24 H25 C22Cl1F1H20N4O4S1 non-polymer 0.00 0.00 H25 H26 C9H13N4O5P1 non-polymer 0.56 0.32 H26 H27 C34H42N4O12S2 non-polymer 1.00 0.58 H27 H28 C23Cl2F1H18N3O2 non-polymer 0.00 0.00 H28 H2A C19H27N4O9S1 non-polymer 0.54 0.24 H2A H2B C9H13N5O3 non-polymer 0.64 0.47 H2B H2D C13H14N2O2 non-polymer 0.00 0.00 H2D H2E C29H32N2O5S1 non-polymer 0.00 0.00 H2E H2G C9H15N1O1S1 non-polymer 0.00 0.00 H2G H2J C15Cl1H14N1O2 non-polymer 0.00 0.00 H2J H2K C16Cl1H15N6O2 non-polymer 0.00 0.00 H2K H2M C17F3H12N1O1 non-polymer 0.00 0.00 H2M H2P C7H15O9P1 saccharide 1.00 0.76 H2P H2S H2S1 non-polymer 0.00 0.00 H2S H2U C9H15N2O9P1 RNA linking 1.00 0.48 H2U H2V C13H26N3O8P1S1 non-polymer 0.62 0.38 H2V H2W C15Cl1F1H9N1O1 non-polymer 0.00 0.00 H2W H2Y C14H14N2O2 non-polymer 0.00 0.00 H2Y H31 C17H17N1O1 non-polymer 0.00 0.00 H31 H32 C15F1H10N1O4 non-polymer 0.00 0.00 H32 H33 C7Cl1H7N4O2 non-polymer 0.00 0.00 H33 H34 C23Cl1H26N5O1 non-polymer 0.00 0.00 H34 H35 C10H9N5O1 non-polymer 0.00 0.00 H35 H36 C24H22N4O2S2 non-polymer 0.00 0.00 H36 H37 C25Cl1H33N6O3 peptide-like 0.00 0.00 H37 H38 C22H18N4S2 non-polymer 0.00 0.00 H38 H39 C21H26N2O5 non-polymer 0.00 0.00 H39 H3A C15Cl1H14N1O2 non-polymer 0.00 0.00 H3A H3D C15H19N1O3 non-polymer 0.00 0.00 H3D H3E C21H17N5O1 non-polymer 0.00 0.00 H3E H3G C16H23N1O1 non-polymer 0.38 0.11 H3G H3H C20H19N3O2 non-polymer 0.58 0.16 H3H H3J C11H9N1O2 non-polymer 0.00 0.00 H3J H3K Br1C17H17N6O2 non-polymer 0.00 0.00 H3K H3M C5H6O3 non-polymer 0.00 0.00 H3M H3N C23H17N3O2 non-polymer 0.00 0.00 H3N H3P C13Cl6H6O2 non-polymer 0.00 0.00 H3P H3Q C21H19N3O1 non-polymer 0.00 0.00 H3Q H3R C10H10N2 non-polymer 0.00 0.00 H3R H3S C12H16N1O16S2 non-polymer 1.00 0.74 H3S H3V C11H10N2O2 non-polymer 0.00 0.00 H3V H3W C16H18O2 non-polymer 0.38 0.11 H3W H3Y C15H20N2O1 non-polymer 0.00 0.00 H3Y H3Z C9H12O1 non-polymer 0.00 0.00 H3Z H41 C22Cl2F2H20N6O3 non-polymer 0.67 0.20 H41 H42 C10H12O1 non-polymer 0.00 0.00 H42 H44 C25H25N5S2 non-polymer 0.00 0.00 H44 H45 C25H25N5S2 non-polymer 0.00 0.00 H45 H47 C12H12N2O3 non-polymer 0.00 0.00 H47 H48 C14H14O2 non-polymer 0.00 0.00 H48 H49 C17H22N4S1 non-polymer 0.00 0.00 H49 H4A C15H20N2O1 non-polymer 0.00 0.00 H4A H4B C9H15N5O3 non-polymer 0.64 0.47 H4B H4C C17Cl1H16N4S1 non-polymer 0.00 0.00 H4C H4D B1C13H12N1O5S1 non-polymer 0.00 0.00 H4D H4E Br1C9H10N1O2 non-polymer 0.75 0.38 H4E H4G C13F2H10N2O1 non-polymer 0.00 0.00 H4G H4H C15Cl1H15N2O3S1 non-polymer 0.00 0.00 H4H H4K C15H10N6O1 non-polymer 0.00 0.00 H4K H4M C31H45N6O16P1 non-polymer 1.00 0.56 H4M H4P C7H19N1O11P2 non-polymer 1.00 0.57 H4P H4Q C10H14O1 non-polymer 0.00 0.00 H4Q H4S C50H100N2O7 non-polymer 1.00 0.34 H4S H4T C14Cl2H15N1O2 non-polymer 0.00 0.00 H4T H4V C14H13I1N4O6S1 non-polymer 0.97 0.15 H4V H4W C22F1H30N3O1 non-polymer 0.00 0.00 H4W H4Y C17H17N1O2 non-polymer 0.00 0.00 H4Y H4Z C31H45N6O17P1 non-polymer 1.00 0.55 H4Z H50 C16Cl2F1H11O2 non-polymer 0.00 0.00 H50 H52 C16H21N3O2S1 non-polymer 0.00 0.00 H52 H53 C12H16O7 non-polymer 1.00 0.74 H53 H54 C14H14N2O1 non-polymer 0.00 0.00 H54 H55 C10H13N9O1 non-polymer 1.00 0.70 H55 H57 C18Fe1H26N2O2 non-polymer 0.00 0.00 H57 H58 C20Fe1H30N2O2 non-polymer 0.00 0.00 H58 H59 C26F1H30N3O6S2 non-polymer 0.38 0.05 H59 H5A C10H12O5 non-polymer 0.00 0.00 H5A H5B Br1C11H7O3 non-polymer 0.00 0.00 H5B H5D C20Cl1H21N2O2 non-polymer 0.00 0.00 H5D H5E C13H17N3O2S1 non-polymer 0.38 0.11 H5E H5G C14Cl1H12N1O2 non-polymer 0.00 0.00 H5G H5H C22F4H22N4O4S1 non-polymer 1.00 0.31 H5H H5J C7H4N2O3 non-polymer 0.00 0.00 H5J H5K C17H11N5O3 non-polymer 0.00 0.00 H5K H5M C6H11N1O3 L-peptide linking 0.00 0.00 H5M H5N C21F4H18N6O4S1 non-polymer 1.00 0.31 H5N H5P C7H11N2O9P1 non-polymer 1.00 0.79 H5P H5Q C21F4H20N4O4S1 non-polymer 1.00 0.32 H5Q H5S C27F1H30N3O6S2 non-polymer 0.38 0.05 H5S H5T C21F4H19N3O5S1 non-polymer 1.00 0.32 H5T H5U C24F1H26N3O6S2 non-polymer 0.38 0.06 H5U H5V C12H16N4O4 non-polymer 1.00 0.55 H5V H5W C21F1H26N3O1 non-polymer 0.58 0.15 H5W H5Y C23H27N5O4 non-polymer 0.50 0.31 H5Y H5Z C21F5H18N3O4S1 non-polymer 1.00 0.32 H5Z H61 C22H22N4O2S1 non-polymer 0.00 0.00 H61 H62 C7H13N1O5 non-polymer 1.00 1.00 H62 H64 Br1C18H21N6O2S1 non-polymer 0.36 0.14 H64 H65 C19H26N4 non-polymer 0.00 0.00 H65 H67 C30H32N4O3 non-polymer 0.37 0.24 H67 H68 C20H23N1O4 non-polymer 0.00 0.00 H68 H6A C29H30N4O3 non-polymer 0.00 0.00 H6A H6B C8H13N1O5 non-polymer 1.00 0.93 H6B H6D C14F3H9N2O3S1 non-polymer 0.00 0.00 H6D H6E C15H27N1O3S1 non-polymer 0.00 0.00 H6E H6G C20H24N6O3 non-polymer 0.38 0.17 H6G H6H C30H39N9O3 non-polymer 0.20 0.07 H6H H6J C19H24N6O4S1 non-polymer 0.00 0.00 H6J H6K C15H11N7O1 non-polymer 0.00 0.00 H6K H6M C19H24N6O4 non-polymer 0.00 0.00 H6M H6P C5H12O8P2 non-polymer 0.65 0.47 H6P H6Q C9H19O11P1 non-polymer 1.00 0.86 H6Q H6S C22Cl1H23N2O3S1 non-polymer 0.00 0.00 H6S H6T C22Cl1H23N2O3S1 non-polymer 0.00 0.00 H6T H6V C22H25N3O3S1 non-polymer 0.00 0.00 H6V H6Y C10H16N5O14P3 non-polymer 1.00 0.31 H6Y H6Z C9H19O11P1 non-polymer 1.00 0.86 H6Z H70 Br3C10Cl2H4N1O1 non-polymer 0.00 0.00 H70 H71 C18H21I1N6O2S1 non-polymer 0.36 0.14 H71 H74 C25H27N3O4S1 non-polymer 0.38 0.15 H74 H75 Br1C13H13N2O1 non-polymer 0.00 0.00 H75 H76 C7H11N1O2 non-polymer 0.00 0.00 H76 H77 C28H34N4O4S1 non-polymer 0.43 0.11 H77 H78 C34H36N2O18P4S2 non-polymer 0.00 0.00 H78 H79 C20Fe1H15N4O2 non-polymer 0.15 0.26 H79 H7A C16F1H16N1O6S1 non-polymer 0.00 0.00 H7A H7D C13H24N2O4S1 non-polymer 0.00 0.00 H7D H7G C14Cl1H12N1O5S1 non-polymer 0.00 0.00 H7G H7J C21H28N4O2 non-polymer 0.50 0.59 H7J H7K C23H25N3O4 non-polymer 0.97 0.13 H7K H7M C15Cl1H13N4O3S2 non-polymer 0.00 0.00 H7M H7P C24Cl1F1H24N2O1 non-polymer 0.00 0.00 H7P H7Q C27H33N3O2 non-polymer 0.00 0.00 H7Q H7T C42H58N8O4 non-polymer 0.00 0.00 H7T H7V C10H19N1O2 L-peptide linking 0.55 0.62 H7V H7W C21H29N3O2 non-polymer 0.00 0.00 H7W H7Y C10H12O2 non-polymer 0.50 0.17 H7Y H7Z C21H29N3O2 non-polymer 0.00 0.00 H7Z H82 C28F3H29N5O4 non-polymer 0.00 0.00 H82 H83 C17Cl1H21N2 non-polymer 0.00 0.00 H83 H84 Br2C11H16N5O11P3 non-polymer 1.00 0.28 H84 H86 C23F2H34N1O7P2 non-polymer 0.00 0.00 H86 H89 C26H20N4O3 non-polymer 0.00 0.00 H89 H8A C18H15N5O2 non-polymer 0.00 0.00 H8A H8B C18H19N3O1 non-polymer 0.00 0.00 H8B H8D C20H25N3O2 non-polymer 0.50 0.24 H8D H8E C34H42N6O6 non-polymer 0.40 0.59 H8E H8G C20H26N4O1 non-polymer 0.00 0.00 H8G H8H C27Cl1H32N5O5 non-polymer 0.00 0.00 H8H H8J C21H27N3O2 non-polymer 0.50 0.23 H8J H8K C21H23N3O2 non-polymer 0.00 0.00 H8K H8M C21Cl1H23N2O2 non-polymer 0.00 0.00 H8M H8N C7H5N1O1 non-polymer 0.00 0.00 H8N H8W C23H27N3O2 non-polymer 0.00 0.00 H8W H8Z C15H16N6O1 non-polymer 0.38 0.23 H8Z H90 C26H18N4O3 non-polymer 0.00 0.00 H90 H91 C26Cl2H28N4O2 non-polymer 0.20 0.09 H91 H94 C19F6H16N6O2 non-polymer 0.00 0.00 H94 H95 C6H14O2 non-polymer 0.00 0.00 H95 H97 C31F6H44O4 non-polymer 0.55 0.15 H97 H98 C19H24N2O4 non-polymer 0.00 0.00 H98 H9A C5H13O3P1 non-polymer 0.58 0.44 H9A H9B C21F3H24N3O1 non-polymer 0.00 0.00 H9B H9E B1Br1C9H9O3S1 non-polymer 0.00 0.00 H9E H9G C18H16N8O2 non-polymer 0.00 0.00 H9G H9H C28H35N5O3S1 non-polymer 0.00 0.00 H9H H9J C9F3H14N1O6 non-polymer 1.00 0.68 H9J H9K C22H16N2O2 non-polymer 0.00 0.00 H9K H9V C17Cl1F3H12N2 non-polymer 0.00 0.00 H9V H9Y C21F2H14N4O4 non-polymer 0.00 0.00 H9Y H9Z C29H29N7O1 non-polymer 0.00 0.00 H9Z HA0 C24H30N2O6 non-polymer 0.00 0.00 HA0 HA1 C10F2H14N5O4P1 non-polymer 0.00 0.00 HA1 HA2 C22H28N2O5 non-polymer 0.00 0.00 HA2 HA3 C18H16N4O3S1 non-polymer 0.00 0.00 HA3 HA5 C7H8N2O4 non-polymer 0.00 0.00 HA5 HA6 C10H7N5O2 non-polymer 0.00 0.00 HA6 HA7 C7H8N2O4 non-polymer 0.00 0.00 HA7 HA8 C9H9N5 non-polymer 0.38 0.29 HA8 HAA C8H8O4 non-polymer 0.00 0.00 HAA HAB C13H10N2O3 non-polymer 0.00 0.00 HAB HAC C9H17N1O2 L-peptide linking 0.00 0.00 HAC HAD C3H5N1O5 non-polymer 0.00 0.00 HAD HAE C2H5N1O2 non-polymer 0.00 0.00 HAE HAG C19H33N3O8S1 non-polymer 0.00 0.00 HAG HAH C13H17N1O4 non-polymer 0.00 0.00 HAH HAI C6H14N1 non-polymer 0.00 0.00 HAI HAJ C17F1H12N5O2 non-polymer 0.00 0.00 HAJ HAK C27H20N8O1 non-polymer 0.00 0.00 HAK HAL C23H29N2O7P1 non-polymer 0.00 0.00 HAL HAM C16H21N8O8P1 non-polymer 1.00 0.52 HAM HAN C14H19N3O2 non-polymer 0.00 0.00 HAN HAO C10H11N3O5 peptide-like 0.00 0.00 HAO HAP C18H27N3O4 non-polymer 0.00 0.00 HAP HAQ C13H14N2O3 peptide-like 0.00 0.00 HAQ HAR C6H14N4O3 L-peptide linking 0.43 0.77 HAR HAS C54Fe1H64N4O6 non-polymer 0.38 0.35 HAS HAT C28H27N7O1 non-polymer 0.00 0.00 HAT HAU C14H19N3O2 non-polymer 0.00 0.00 HAU HAV C5H12N2O2 non-polymer 0.42 0.89 HAV HAW C28H23N7O2S1 non-polymer 0.00 0.00 HAW HAX C23H39N8O18P3 non-polymer 1.00 0.44 HAX HAY C24H26N2O6S1 non-polymer 0.46 0.27 HAY HAZ C24H33N3O6 non-polymer 0.00 0.00 HAZ HB0 C7H14O2 non-polymer 0.00 0.00 HB0 HB1 C23H13N3O3Ru1 non-polymer 0.00 0.00 HB1 HB2 C18H24N4O1 non-polymer 0.50 0.26 HB2 HB4 C16H15N5 non-polymer 0.00 0.00 HB4 HB5 C28H33N5O3S2 non-polymer 0.00 0.00 HB5 HB7 C26H28N4O4 non-polymer 0.20 0.09 HB7 HB8 B1C13H17N1O5S1 non-polymer 0.56 0.24 HB8 HB9 C29F2H23N3O4S1 non-polymer 0.64 0.15 HB9 HBA C7H6O2 non-polymer 0.00 0.00 HBA HBB C30H43N3O6S1 non-polymer 0.00 0.00 HBB HBC C20H21N1O1 non-polymer 0.00 0.00 HBC HBD C7H7N1O2 non-polymer 0.00 0.00 HBD HBF C21Fe1H17N2O1S1 non-polymer 0.21 0.27 HBF HBG C25H31N3O4 non-polymer 0.00 0.00 HBG HBH C29H40N4O7S1 non-polymer 0.00 0.00 HBH HBI C9H13N5O3 non-polymer 0.62 0.47 HBI HBJ C26H28N4O4 non-polymer 0.20 0.09 HBJ HBK C9H9N1O5 non-polymer 0.00 0.00 HBK HBL C9H13N5O3 non-polymer 0.62 0.47 HBL HBM C23Cl2H20N4O4S1 non-polymer 0.00 0.00 HBM HBN C16H16N4O1 L-peptide linking 0.00 0.00 HBN HBO C9H9N1O5 non-polymer 0.00 0.00 HBO HBP C19H26N4O2 non-polymer 0.00 0.00 HBP HBQ C14F1H17N2O3 non-polymer 0.58 0.20 HBQ HBR C4H8O2 non-polymer 0.75 1.00 HBR HBS C4H8O2 non-polymer 0.75 1.00 HBS HBT C17H17N3O4S1 non-polymer 0.00 0.00 HBT HBU C5H9O5P1 non-polymer 0.00 0.00 HBU HBV C20F1H27N2O2 non-polymer 0.00 0.00 HBV HBW C26Cl2F3H22N5O4S1 non-polymer 0.00 0.00 HBW HBX C7H6O1 non-polymer 0.00 0.00 HBX HBY C15H20N2O3S2 non-polymer 0.58 0.18 HBY HBZ C14H18N2O8 non-polymer 1.00 0.62 HBZ HC0 C6Fe2H7O7S2 non-polymer 0.00 0.00 HC0 HC1 C5Fe2H8O7S2 non-polymer 0.00 0.00 HC1 HC2 C27H46O2 non-polymer 0.00 0.00 HC2 HC3 C27H46O2 non-polymer 0.55 0.21 HC3 HC4 C9H8O3 non-polymer 0.44 0.50 HC4 HC5 C13H26N1O4 non-polymer 0.68 0.83 HC5 HC6 C24H34N2O4 non-polymer 0.00 0.00 HC6 HC7 C24H35N2O7P1 non-polymer 0.56 0.21 HC7 HC8 C16H16O5 non-polymer 0.62 0.14 HC8 HC9 C27H46O2 non-polymer 0.00 0.00 HC9 HCA C7H10O7 non-polymer 0.79 1.00 HCA HCB C60Co1H84N13O15P1 non-polymer 1.00 0.11 HCB HCC C15H12O4 non-polymer 0.20 0.26 HCC HCD C27H46O2 non-polymer 0.00 0.00 HCD HCE C16H24N6O3S1 non-polymer 0.00 0.00 HCE HCG C11H19N3O6S1 non-polymer 0.00 0.00 HCG HCH B1C9H8O5S1 non-polymer 0.00 0.00 HCH HCI C9H10O2 non-polymer 0.00 0.00 HCI HCJ C20F3H15N2O3 non-polymer 0.00 0.00 HCJ HCK C18H14N2O4S1 non-polymer 0.00 0.00 HCK HCL C8Cl1H8N1O4 L-peptide linking 0.00 0.00 HCL HCM C5H11N1O2S2 L-peptide linking 0.00 0.00 HCM HCN C7Fe2H10N2O5S2 non-polymer 0.00 0.00 HCN HCO C34Fe1H34N4O5 non-polymer 0.30 0.14 HCO HCP C13H20N2O8P2 non-polymer 0.00 0.00 HCP HCQ B1C9H11N1O3S1 non-polymer 0.00 0.00 HCQ HCR C27H46O2 non-polymer 0.00 0.00 HCR HCS C4H9N1O2S1 L-peptide linking 0.00 0.00 HCS HCT C7H10O6 non-polymer 0.71 0.77 HCT HCV C15H27N3O6S1 non-polymer 0.59 0.32 HCV HCW C23H28N10O1 non-polymer 0.38 0.12 HCW HCX C7H13O4P1 non-polymer 0.00 0.00 HCX HCY C21H30O5 non-polymer 0.60 0.31 HCY HCZ C7Cl1H8N3O4S2 non-polymer 0.00 0.00 HCZ HD1 C24H36N4O2S1 non-polymer 1.00 0.32 HD1 HD2 C24H34N4O3 non-polymer 0.00 0.00 HD2 HD4 C13H26N1O13P1 non-polymer 1.00 0.86 HD4 HD5 B1C9H10N1O2S1 non-polymer 0.00 0.00 HD5 HD6 C37H68N7O16P3S1 non-polymer 1.00 0.36 HD6 HDA C3H5N1O4 non-polymer 0.83 0.88 HDA HDB B1C11H16N3O3 non-polymer 0.00 0.00 HDB HDC C31H54N7O18P3S1 non-polymer 1.00 0.38 HDC HDD C34Fe1H32N4O5 non-polymer 0.38 0.09 HDD HDE C34Fe1H38N4O5 non-polymer 0.00 0.00 HDE HDF C16H17N3O7 non-polymer 0.97 0.38 HDF HDG C32H42N8O5 non-polymer 1.00 0.22 HDG HDH C7H8N2O2 non-polymer 0.00 0.00 HDH HDI C12H13N1O4 non-polymer 0.62 0.35 HDI HDJ C18F3H15N2 non-polymer 0.00 0.00 HDJ HDL C5H9N1O7 D-saccharide 0.97 0.92 HDL HDM C36Fe1H36N4O4 non-polymer 0.69 0.36 HDM HDN C1H4N2 non-polymer 0.00 0.00 HDN HDO C12H24O2 non-polymer 0.00 0.00 HDO HDP C12H17N2O7P1 DNA linking 1.00 0.41 HDP HDQ B1C14H29N3O5 non-polymer 0.00 0.00 HDQ HDS C16H34O3S1 non-polymer 0.00 0.00 HDS HDT C17H14N6O2S1 non-polymer 0.00 0.00 HDT HDU C14H13N5O1 non-polymer 0.00 0.00 HDU HDV C11F1H17N5O12P3 non-polymer 1.00 0.28 HDV HDX C8H13N1O9P2 non-polymer 0.00 0.00 HDX HDY C23H26N6O2 non-polymer 0.61 0.23 HDY HDZ N2 non-polymer 0.00 0.00 HDZ HE0 C17H28N4O7S1 non-polymer 0.00 0.00 HE0 HE1 C10H13O4P1S1 non-polymer 0.38 0.25 HE1 HE2 C6H14O1 non-polymer 0.00 0.00 HE2 HE3 C14H22N4O8P2S1 non-polymer 0.00 0.00 HE3 HE4 C7H16O1 non-polymer 0.00 0.00 HE4 HE5 C32H34N4O4Zn1 non-polymer 0.69 0.29 HE5 HE6 C28Fe1H24N4O4 non-polymer 0.00 0.00 HE6 HE7 C22H28O5 non-polymer 0.96 0.30 HE7 HE8 B1C8H18N2O5 non-polymer 0.00 0.00 HE8 HEA C49Fe1H56N4O6 non-polymer 0.38 0.30 HEA HEB C34Fe1H34N4O4 non-polymer 0.38 0.05 HEB HEC C34Fe1H34N4O4 non-polymer 0.50 0.09 HEC HED C4H10O2S2 non-polymer 0.00 0.00 HED HEE C8H19O3P1 non-polymer 0.00 0.00 HEE HEF C14H16N2O4S1 non-polymer 1.00 0.43 HEF HEG C34H32Mg1N4O4 non-polymer 0.38 0.09 HEG HEH C41H52N2O11 non-polymer 0.20 0.06 HEH HEJ C10H16N5O13P3 non-polymer 1.00 0.32 HEJ HEK C25H30N12O8 non-polymer 0.44 0.29 HEK HEL C17H25N4O7S1 non-polymer 0.00 0.00 HEL HEM C34Fe1H32N4O4 non-polymer 0.38 0.09 HEM HEN C13H18N2O10P2 non-polymer 0.93 0.26 HEN HEO C49Fe1H58N4O5 non-polymer 0.38 0.31 HEO HEP C15H22N1O6P1 non-polymer 0.00 0.00 HEP HEQ C40H54O2 non-polymer 0.38 0.19 HEQ HES C34H34N4O4Zn1 non-polymer 0.50 0.09 HES HET C26H30N5O2P1 non-polymer 0.25 0.09 HET HEU C11H17N2O9P1 DNA linking 1.00 0.39 HEU HEV C36Fe1H32N4O4 non-polymer 0.38 0.18 HEV HEW Br1C5H5N2 non-polymer 0.00 0.00 HEW HEX C6H14 non-polymer 0.00 0.00 HEX HEY C13H20N2O10P2 non-polymer 0.93 0.30 HEY HEZ C6H14O2 non-polymer 0.00 0.00 HEZ HF1 C10F1H12O4P1S1 non-polymer 0.38 0.24 HF1 HF2 C9H10O3 peptide-like 0.00 0.00 HF2 HF3 H7Hf3O15P1 non-polymer 0.00 0.00 HF3 HF4 C9H16N3O14P3 non-polymer 1.00 0.34 HF4 HF5 H12Hf5O21 non-polymer 0.00 0.00 HF5 HF7 C11H18N5O12P3 non-polymer 1.00 0.29 HF7 HFA C9H10O3 L-peptide linking 0.00 0.00 HFA HFB C6F6 non-polymer 0.00 0.00 HFB HFD C10F1H15N5O13P3 non-polymer 1.00 0.31 HFD HFG Br1C16Cl1H17N3O3 non-polymer 0.00 0.00 HFG HFK C20H22N4O2 non-polymer 0.00 0.00 HFK HFL C10H12O5 non-polymer 1.00 0.27 HFL HFM C33Fe1H32N4O5 non-polymer 0.20 0.12 HFM HFN C21F3H18N3O3 non-polymer 0.62 0.10 HFN HFP C15H33O4P1 non-polymer 0.00 0.00 HFP HFQ C29H42N7O19P3S1 non-polymer 1.00 0.39 HFQ HFS C14H17N3O3S1 non-polymer 0.00 0.00 HFS HFT C11F3H11N2O4 non-polymer 0.61 0.35 HFT HFV C14F6H19N3O6S1 non-polymer 0.32 0.27 HFV HFW Hf1O61P2W17 non-polymer 0.00 0.00 HFW HFY C17Cl1H19N6O4 non-polymer 1.00 0.36 HFY HFZ C8F3H8N3O4S2 non-polymer 0.00 0.00 HFZ HG Hg1 non-polymer 0.00 0.00 HG HG1 C18H35N1O7 non-polymer 0.98 0.58 HG1 HG2 Br2Hg1 non-polymer 0.00 0.00 HG2 HG3 C3H9O7P1 non-polymer 0.91 0.64 HG3 HG4 C34H38N12O4 non-polymer 0.00 0.00 HG4 HG5 C30H38N6O2 non-polymer 0.00 0.00 HG5 HG7 C13H21N3O2 L-peptide linking 0.20 0.17 HG7 HG8 C29H38N6O2S1 non-polymer 0.00 0.00 HG8 HG9 C17H35N1O7 non-polymer 0.97 0.60 HG9 HGA C5H10N2O4 non-polymer 0.50 0.91 HGA HGB C7H6Hg1O3 non-polymer 0.00 0.00 HGB HGC C1H3Hg1 non-polymer 0.00 0.00 HGC HGD C20H32Hg1N6O12S2 non-polymer 0.00 0.00 HGD HGE C12H17N3O2 non-polymer 0.58 0.47 HGE HGF C22H20N4O3 non-polymer 0.75 0.17 HGF HGG C26H42N7O20P3S1 non-polymer 1.00 0.40 HGG HGH C13H11N5O3 non-polymer 0.00 0.00 HGH HGI Hg1I2 non-polymer 0.00 0.00 HGI HGJ C23H24N6O3 non-polymer 0.00 0.00 HGJ HGK C13H11N1O4 non-polymer 0.00 0.00 HGK HGL C9H12N6O3 L-peptide linking 0.00 0.00 HGL HGM C9H11N1O3 D-peptide linking 0.42 0.69 HGM HGN HG2 non-polymer 0.00 0.00 HGN HGP C38H77N1O8P1 non-polymer 0.98 0.46 HGP HGQ Br1C5H4N1O1 non-polymer 0.00 0.00 HGQ HGR C23H29N1O12 non-polymer 1.00 0.78 HGR HGS C11H19N3O6S1 non-polymer 0.00 0.00 HGS HGT C8H20N2O8Sn1 non-polymer 1.00 0.63 HGT HGU C1H5N3O1 non-polymer 0.00 0.00 HGU HGV C12H20N5O11P3 non-polymer 1.00 0.29 HGV HGW C4H3I1N2 non-polymer 0.00 0.00 HGW HGX C38H77N1O8P1 non-polymer 0.98 0.46 HGX HGY C2H5N1O3 peptide linking 0.00 0.00 HGY HGZ C13H15N1O4 non-polymer 0.00 0.00 HGZ HH0 C36H60N5O10P1 peptide-like 0.61 0.27 HH0 HH1 C37H41N3O6 non-polymer 0.00 0.00 HH1 HH2 C7H9N5O8P2 non-polymer 0.00 0.00 HH2 HH3 C9H9N1O4 non-polymer 0.70 0.57 HH3 HH4 C14H18O3 non-polymer 0.69 0.65 HH4 HH5 C5H4I1N5 non-polymer 0.00 0.00 HH5 HH6 C13H10N2O2 non-polymer 0.00 0.00 HH6 HH7 C12Cl2H13N3O1 non-polymer 0.00 0.00 HH7 HH8 Br1C8H5N2 non-polymer 0.00 0.00 HH8 HHA C7H9N1O3 non-polymer 0.00 0.00 HHA HHB C12H11N3O2 non-polymer 0.00 0.00 HHB HHD C7H12O5 non-polymer 0.00 0.00 HHD HHE C30Cl1H45N4O4 non-polymer 0.00 0.00 HHE HHF C15H10O4 non-polymer 0.00 0.00 HHF HHG C9H19O7P1 non-polymer 1.00 0.59 HHG HHH C8H8O4 non-polymer 0.00 0.00 HHH HHI C6H7N3O2 peptide linking 0.93 0.36 HHI HHJ C21H23N7O6 non-polymer 1.00 0.29 HHJ HHK C8H18N2O2 L-peptide linking 0.00 0.00 HHK HHM C18Cl2H15N3O1 non-polymer 0.00 0.00 HHM HHN Br1C4H3N2 non-polymer 0.00 0.00 HHN HHO C9H21N1O2 non-polymer 0.00 0.00 HHO HHP C7H9N5O2 non-polymer 0.00 0.00 HHP HHQ C5H4I1N1O1 non-polymer 0.00 0.00 HHQ HHR C7H7N5O2 non-polymer 0.00 0.00 HHR HHS C7H5N5O3 non-polymer 0.00 0.00 HHS HHT Br1C9H9O3 non-polymer 0.00 0.00 HHT HHV C10H11N5O1 non-polymer 0.00 0.00 HHV HHW C16Cl1H12N1O3 non-polymer 0.44 0.29 HHW HHY C11H10N2O3 non-polymer 0.00 0.00 HHY HHZ C18H26N5O15P3 non-polymer 1.00 0.46 HHZ HI0 C43Cl1H45N8O4S2 non-polymer 0.20 0.05 HI0 HI1 Br1C36H45N4O6 non-polymer 0.38 0.04 HI1 HI3 C25F3H20N3O4S1 non-polymer 0.00 0.00 HI3 HI4 C23F1H18N3O5 non-polymer 0.00 0.00 HI4 HI5 C11H23O9P1 non-polymer 0.98 0.67 HI5 HI6 C14H16N4O3 non-polymer 0.00 0.00 HI6 HIA C6H10N4O1 L-peptide linking 0.00 0.00 HIA HIB C10H11I1O5 non-polymer 0.00 0.00 HIB HIC C7H11N3O2 L-peptide linking 0.00 0.00 HIC HID C10H9N1O3 non-polymer 0.00 0.00 HID HIE C23F3H27N4O3 non-polymer 0.00 0.00 HIE HIF C34Fe1H36N4O5 non-polymer 0.00 0.00 HIF HIG C26H25N7 non-polymer 0.00 0.00 HIG HII C7H10N2O1S1 non-polymer 0.45 0.55 HII HIN C16Cl1H21N2O3 non-polymer 0.00 0.00 HIN HIO C5H9N1O4 non-polymer 0.64 0.90 HIO HIP C6H11N3O5P1 L-peptide linking 0.00 0.00 HIP HIQ C9H15N3O5 L-peptide linking 0.84 0.41 HIQ HIS C6H10N3O2 L-peptide linking 0.00 0.00 HIS HIS_LEO2 C6H8N3O2 NA 0.00 0.00 HIS_LEO2 HIS_LEO2H C6H9N3O2 NA 0.00 0.00 HIS_LEO2H HIS_LEO2H_DHD1 C6H8N3O2 NA 0.00 0.00 HIS_LEO2H_DHD1 HIS_LEO2H_DHE2 C6H8N3O2 NA 0.00 0.00 HIS_LEO2H_DHE2 HIS_LEO2_DHD1 C6H7N3O2 NA 0.00 0.00 HIS_LEO2_DHD1 HIS_LEO2_DHE2 C6H7N3O2 NA 0.00 0.00 HIS_LEO2_DHE2 HIS_LFOH C6H10N3O2 NA 0.00 0.00 HIS_LFOH HIS_LFOH_DHD1 C6H9N3O2 NA 0.00 0.00 HIS_LFOH_DHD1 HIS_LFOH_DHE2 C6H9N3O2 NA 0.00 0.00 HIS_LFOH_DHE2 HIS_LFZW C6H10N3O2 NA 0.00 0.00 HIS_LFZW HIS_LFZW_DHD1 C6H9N3O2 NA 0.00 0.00 HIS_LFZW_DHD1 HIS_LFZW_DHE2 C6H9N3O2 NA 0.00 0.00 HIS_LFZW_DHE2 HIS_LL C6H8N3O1 NA 0.00 0.00 HIS_LL HIS_LL_DHD1 C6H7N3O1 NA 0.00 0.00 HIS_LL_DHD1 HIS_LL_DHE2 C6H7N3O1 NA 0.00 0.00 HIS_LL_DHE2 HIS_LSN3 C6H10N3O1 NA 0.00 0.00 HIS_LSN3 HIS_LSN3_DHD1 C6H9N3O1 NA 0.00 0.00 HIS_LSN3_DHD1 HIS_LSN3_DHE2 C6H9N3O1 NA 0.00 0.00 HIS_LSN3_DHE2 HIT C8H14O4 non-polymer 0.69 1.00 HIT HIU C4H8O3 non-polymer 0.88 1.00 HIU HIW C12H19N3O5S1 non-polymer 0.62 0.48 HIW HIX C5H8N4O2 L-peptide linking 0.00 0.00 HIX HIZ C19Cl1F1H18N4O2S1 non-polymer 0.30 0.32 HIZ HJ1 C11H16N2O3 non-polymer 0.00 0.00 HJ1 HJ2 C15H23N3O7S1 non-polymer 0.00 0.00 HJ2 HJ3 C15H25N3O6S1 non-polymer 0.00 0.00 HJ3 HJ4 C32H41N1O2 non-polymer 0.38 0.06 HJ4 HJ5 C24H32N3O4P1 non-polymer 0.00 0.00 HJ5 HJ7 C7H6O7 non-polymer 0.93 1.00 HJ7 HJ8 C7H12N4O3 non-polymer 0.00 0.00 HJ8 HJA C14H26N2O3S1 non-polymer 0.00 0.00 HJA HJD C8H14N4O1 non-polymer 0.00 0.00 HJD HJG C18Cl1H18N3O1 non-polymer 0.42 0.30 HJG HJH C6H10N4O3 L-peptide linking 0.00 0.00 HJH HJJ C21H22O4 non-polymer 0.62 0.44 HJJ HJK C13H11N5O2 non-polymer 0.00 0.00 HJK HJM C20H26N2O1 non-polymer 0.00 0.00 HJM HJN C27H39N4O9P1 non-polymer 1.00 0.44 HJN HJP C7H6O5 non-polymer 1.00 1.00 HJP HJT C4H9N1O5S1 non-polymer 0.00 0.00 HJT HJV C6H12N2O3 D-peptide linking 0.59 0.73 HJV HJX C21H34O4 non-polymer 0.00 0.00 HJX HJY C10H12I1N1O2 D-peptide linking 0.50 0.57 HJY HJZ C24H24O2S1 non-polymer 0.00 0.00 HJZ HK0 C26H26N4O6 non-polymer 0.00 0.00 HK0 HK1 C18H16N2O3 non-polymer 0.00 0.00 HK1 HK2 C24H28N3O6 non-polymer 1.00 0.39 HK2 HK3 C24H18N2O3 non-polymer 0.00 0.00 HK3 HK4 C21H18N2O4 non-polymer 0.00 0.07 HK4 HK5 C22H17N5O1 non-polymer 0.00 0.00 HK5 HK6 C13Cl1H9N2O1 non-polymer 0.00 0.00 HK6 HK7 C20H15N3O2 non-polymer 0.00 0.00 HK7 HK8 C15Cl1H11N2O3 non-polymer 0.00 0.00 HK8 HK9 C21H16N2O4 non-polymer 0.00 0.00 HK9 HKA C14H12O4 non-polymer 0.00 0.00 HKA HKB C22H18N2O6S1 non-polymer 0.20 0.10 HKB HKC C19H16N6O2 non-polymer 0.00 0.00 HKC HKD C9H8O5 non-polymer 0.00 0.00 HKD HKG C25H25N7O2S2 non-polymer 1.00 0.22 HKG HKI C30Cl1H31N6O3 non-polymer 0.20 0.07 HKI HKJ C21F1H21N6O3S1 non-polymer 0.00 0.00 HKJ HKK C11Cl1H13N2O3S1 non-polymer 0.00 0.00 HKK HKL C34Fe1H34N4O3 non-polymer 0.69 0.19 HKL HKM C16H12N4O1S1 non-polymer 0.00 0.00 HKM HKN C22H24N4O4S1 non-polymer 0.00 0.00 HKN HKQ C17Cl1H13N2O2S1 non-polymer 0.00 0.00 HKQ HKS C12H16N2O6S1 non-polymer 0.00 0.00 HKS HKT C17F1H16N3O2S1 non-polymer 0.00 0.00 HKT HKV C5H6O4 non-polymer 0.70 1.00 HKV HKW C42H55N6O5 non-polymer 1.00 0.23 HKW HKX Br1C18H17N4O4S1 non-polymer 1.00 0.36 HKX HKY C10H11N1O2 non-polymer 0.00 0.00 HKY HL0 C14H25N1O3 non-polymer 0.00 0.00 HL0 HL1 C21F3H18N1O3 non-polymer 0.00 0.00 HL1 HL2 C6H13N1O3 L-peptide linking 0.65 1.00 HL2 HL4 C8H13N1O3 non-polymer 0.00 0.00 HL4 HL5 C6H13N1O3 L-peptide linking 0.65 1.00 HL5 HL6 C10H17N1O3 non-polymer 0.00 0.00 HL6 HL7 C37H47N5O4S1 non-polymer 0.00 0.00 HL7 HLA C9H14O7 non-polymer 1.00 1.00 HLA HLB C45H65N4O5 non-polymer 1.00 0.20 HLB HLC C14Cl1H16N1O4 non-polymer 0.00 0.00 HLC HLD C7H4O6 non-polymer 1.00 1.00 HLD HLE C8H15N1O4 non-polymer 0.50 0.77 HLE HLG C9H21N3O1 non-polymer 0.00 0.00 HLG HLI C20Cl1H19N5O5P1 non-polymer 0.00 0.00 HLI HLJ C25Cl2F1H22N5O1 non-polymer 0.00 0.00 HLJ HLM C19Cl1H21N4O1 non-polymer 0.31 0.32 HLM HLN C16H21O3P1 non-polymer 0.00 0.00 HLN HLO C15H17N5O4 non-polymer 0.00 0.00 HLO HLP C9H8N2O3 non-polymer 0.00 0.00 HLP HLR C7H6N2O1 non-polymer 0.00 0.00 HLR HLS C20F1H23N4O3 non-polymer 0.00 0.00 HLS HLT Br1C2Cl1F3H1 non-polymer 0.00 0.00 HLT HLU C6H13N1O3 L-peptide linking 0.65 1.00 HLU HLV C14H13N1O2 non-polymer 0.00 0.00 HLV HLW C18Cl1H20N5 non-polymer 0.00 0.00 HLW HLX C7H15N1O2 L-peptide linking 0.00 0.00 HLX HLY C12H22N2O6 L-peptide linking 0.62 0.45 HLY HLZ C8H8N4 non-polymer 0.00 0.00 HLZ HM2 C18Cl1H17N4 non-polymer 0.00 0.00 HM2 HM3 C6Cl1H6N1O1 non-polymer 0.00 0.00 HM3 HM4 C14H16N4O3S1 non-polymer 0.56 0.23 HM4 HM5 C14H16N4O2S1 non-polymer 0.38 0.10 HM5 HM6 C10H8N4O5 non-polymer 1.00 0.68 HM6 HM7 C8H10N2O3S2 non-polymer 1.00 0.80 HM7 HM8 C7H10N2O7S2 L-peptide linking 0.00 0.00 HM8 HM9 C9H13N5O3S1 L-peptide linking 1.00 0.67 HM9 HMA C3H8N2O2 non-polymer 0.38 0.86 HMA HMB C5H10O4 non-polymer 0.99 0.89 HMB HMC C7H12O5 non-polymer 0.00 0.00 HMC HMD Br1C11H10N5O2 non-polymer 0.00 0.00 HMD HME C34Fe1H36N4O4 non-polymer 0.00 0.00 HME HMF C10H13N1O2 D-peptide linking 0.00 0.00 HMF HMG C27H39N7O20P3S1 non-polymer 1.00 0.55 HMG HMH C6H9N3O1 non-polymer 0.00 0.00 HMH HMI C7H13N1O4 non-polymer 0.50 0.75 HMI HMJ C16H17N1O2 non-polymer 0.50 0.26 HMJ HMK C16H12O6 non-polymer 0.00 0.00 HMK HMM C8H11N3O3 non-polymer 0.00 0.00 HMM HMN C11H21N1O9 non-polymer 0.98 1.00 HMN HMO C16H12O4 non-polymer 0.00 0.00 HMO HMP C7H13N1O4 non-polymer 0.50 0.75 HMP HMQ C8H8O6 non-polymer 0.00 0.00 HMQ HMR C7H16N4O2 L-peptide linking 0.00 0.00 HMR HMS C5H11O8P1 saccharide 1.00 0.71 HMS HMT C29H39N1O9 non-polymer 0.71 0.44 HMT HMU C5H6N2O3 non-polymer 1.00 1.00 HMU HMV C16H18N2O1 non-polymer 0.50 0.26 HMV HMX C12Cl1H18N7O1 non-polymer 1.00 0.52 HMX HMY C19H22O8 non-polymer 0.00 0.00 HMY HMZ C11H12O5 non-polymer 0.69 0.44 HMZ HN0 C19H30N5O9P1 DNA linking 1.00 0.26 HN0 HN1 C19H30N5O9P1 DNA linking 1.00 0.26 HN1 HN2 C16H21N1O4 non-polymer 1.00 0.48 HN2 HN3 C17H23N1O4 non-polymer 1.00 0.45 HN3 HN4 C20H29N1O4 non-polymer 1.00 0.56 HN4 HN5 C20H31N1O3 non-polymer 1.00 0.58 HN5 HN6 C20H31N1O3 non-polymer 1.00 0.58 HN6 HN7 C20H29N1O4 non-polymer 1.00 0.56 HN7 HN8 C17H19N1O4 non-polymer 0.00 0.00 HN8 HNA C14H7N1O6 non-polymer 0.00 0.00 HNA HNB C9H18O2 non-polymer 0.00 0.00 HNB HNC C12H23N1O4S1 L-peptide linking 0.00 0.00 HNC HND C9H20O2 non-polymer 0.00 0.00 HND HNE C9H16O2 non-polymer 0.55 0.73 HNE HNF C13H9N1O3 non-polymer 0.00 0.00 HNF HNG C7H9N5O1 non-polymer 0.00 0.00 HNG HNH C10H12N2O1 non-polymer 0.00 0.00 HNH HNI C34H32N4Ni1O4 non-polymer 0.38 0.09 HNI HNJ C17H17N3O2S1 non-polymer 0.00 0.00 HNJ HNK C10H14N2O1 non-polymer 0.00 0.00 HNK HNL C10H14N2O1 non-polymer 0.00 0.00 HNL HNM C10H14N2O2 non-polymer 0.00 0.00 HNM HNN C34H36Mn1N4O4 non-polymer 0.00 0.00 HNN HNP C7H11N2O9P1 non-polymer 1.00 0.79 HNP HNQ C9H6N2O3 non-polymer 0.00 0.00 HNQ HNR C15H20N4O4S1 non-polymer 1.00 0.42 HNR HNS C13H11N1O4 non-polymer 1.00 0.78 HNS HNT C10H12N2O3 non-polymer 0.00 0.00 HNT HNV C16H20O7 non-polymer 1.00 0.52 HNV HNW C15H18O7 non-polymer 1.00 0.68 HNW HNY C14H13N1O4 non-polymer 1.00 0.74 HNY HO HO1 non-polymer 0.00 0.00 HO HO1 C13H9N5O4 non-polymer 1.00 0.64 HO1 HO2 C18H32O3 non-polymer 0.46 0.48 HO2 HO3 Ho1 non-polymer 0.00 0.00 HO3 HO4 C13H14N4O4 non-polymer 1.00 0.48 HO4 HO6 C10H8N2O2S2 non-polymer 0.00 0.00 HO6 HO7 Br1C11H11N2S1 non-polymer 0.00 0.00 HO7 HOA H3N1O1 non-polymer 0.00 0.00 HOA HOB C36H62N1O9P1 non-polymer 1.00 0.19 HOB HOC C8H16O3 non-polymer 0.00 0.00 HOC HOE C25H25N6O1 non-polymer 0.00 0.00 HOE HOG C13H9N1O6 non-polymer 1.00 0.70 HOG HOH H2O1 non-polymer 0.00 0.00 HOH HOJ C26H27N3O5 non-polymer 0.00 0.00 HOJ HOL C36H62N1O9P1 DNA linking 1.00 0.19 HOL HOM C12H12O4 non-polymer 0.00 0.00 HOM HOO C6H7N3O4 L-peptide linking 0.00 0.00 HOO HOP C23H27N1O4 non-polymer 0.00 0.00 HOP HOQ C11H19N1O5S1 non-polymer 0.62 0.56 HOQ HOS C36Cl1H45N6O12 non-polymer 0.95 0.35 HOS HOV C32H43N5O7 non-polymer 0.65 0.16 HOV HOW C3H4N2O1 non-polymer 0.00 0.00 HOW HOX C9H12N2O2 L-peptide linking 0.00 0.00 HOX HOZ C5H12N2O2 non-polymer 0.00 0.00 HOZ HP0 C20H30N2O3 peptide-like 0.00 0.00 HP0 HP1 C31H41N11O6 non-polymer 1.00 0.21 HP1 HP2 C31H41N11O6 non-polymer 1.00 0.21 HP2 HP3 C3H8O2 non-polymer 0.67 1.00 HP3 HP4 H2O2P1 non-polymer 0.00 0.00 HP4 HP5 C34Fe1H32N4O6 non-polymer 0.50 0.11 HP5 HP6 C7H16 non-polymer 0.00 0.00 HP6 HP7 C17H25N3O18P2 non-polymer 1.00 0.65 HP7 HP8 C17H18N6O9S1 non-polymer 1.00 0.42 HP8 HPA C5H4N4O1 non-polymer 0.00 0.00 HPA HPB C10H15N1O1 non-polymer 0.00 0.00 HPB HPC C10H13N1O1 L-peptide linking 0.00 0.00 HPC HPD C5H13O7P1 non-polymer 1.00 0.69 HPD HPE C10H13N1O2 L-peptide linking 0.00 0.00 HPE HPF C9H14N1O7P1 non-polymer 1.00 0.39 HPF HPG C3H8O2 non-polymer 0.67 1.00 HPG HPH C9H13N1O2 peptide-like 0.00 0.00 HPH HPI C23H27N3O6 non-polymer 0.46 0.66 HPI HPJ C22H21N3O3 non-polymer 0.56 0.18 HPJ HPK C12H9O4 non-polymer 0.50 0.62 HPK HPL C8H17N1O1 non-polymer 0.00 0.00 HPL HPM C28H31N7O4 non-polymer 0.00 0.00 HPM HPN C7H15N1O1 non-polymer 0.00 0.00 HPN HPO C7H15O4P1 non-polymer 0.00 0.00 HPO HPP C9H10O3 non-polymer 0.00 0.00 HPP HPQ C11H15N1O1 L-peptide linking 0.00 0.00 HPQ HPR C10H14N4O5 non-polymer 1.00 0.53 HPR HPS C6H7O4P1 non-polymer 0.00 0.00 HPS HPT C8H12N2O3 non-polymer 1.00 0.85 HPT HPU C18H16N2O4S1 non-polymer 0.00 0.00 HPU HPV C3H5O7P1 non-polymer 0.95 0.64 HPV HPW C19H19N3O6S2 non-polymer 0.00 0.00 HPW HPX C12H10O4 non-polymer 0.62 0.44 HPX HPY C4H6N2O2 non-polymer 0.00 0.00 HPY HPZ C12H10O4 non-polymer 0.62 0.44 HPZ HQ C16H21N1O2 non-polymer 0.00 0.00 HQ HQ2 C14H15N3O3 non-polymer 0.00 0.00 HQ2 HQ5 C15H25N5O8S1 non-polymer 1.00 0.34 HQ5 HQ6 C9H18N2O5 non-polymer 0.00 0.00 HQ6 HQ7 C26F1H30N3O5 non-polymer 0.00 0.00 HQ7 HQ8 C6H12O5 non-polymer 1.00 1.00 HQ8 HQ9 C8H8O4 non-polymer 0.00 0.00 HQ9 HQA C12H12N2O3 L-peptide linking 0.00 0.00 HQA HQB C12H9N5O2 non-polymer 0.00 0.00 HQB HQC C24H25N3O6S1 non-polymer 0.61 0.24 HQC HQD C10H9N1O2 non-polymer 0.00 0.00 HQD HQE C6H6O2 non-polymer 0.00 0.00 HQE HQG C15H24N5O17P3 non-polymer 1.00 0.57 HQG HQI C11H10N2O2 non-polymer 0.00 0.00 HQI HQJ C9Cl1H7N2 non-polymer 0.00 0.00 HQJ HQL C22H27N5O1 non-polymer 0.00 0.00 HQL HQM C28H37N3O3 non-polymer 0.00 0.00 HQM HQN C6H6O3 non-polymer 0.00 0.00 HQN HQO C16H21N1O2 non-polymer 0.00 0.00 HQO HQP C21H17N7 non-polymer 0.00 0.00 HQP HQQ C17H14N2O4 non-polymer 1.00 0.57 HQQ HQS Br1C11F1H12N6O4S2 non-polymer 0.00 0.00 HQS HQT C9H7N1O1S1 non-polymer 0.00 0.00 HQT HQU C10H7N1O3 non-polymer 0.00 0.00 HQU HQY C9H7N1O1 non-polymer 0.00 0.00 HQY HQZ B1C3H11N1O5S1 non-polymer 0.00 0.00 HQZ HR1 C33F1H33N2O5 non-polymer 0.36 0.10 HR1 HR2 C30F1H35N2O5 non-polymer 0.36 0.11 HR2 HR4 C17F1H17N5O5P1S2 non-polymer 1.00 0.32 HR4 HR5 C11H17N3O1 non-polymer 0.00 0.00 HR5 HR6 C17H18N5O5P1S2 non-polymer 1.00 0.33 HR6 HR7 C7H16N4O2 L-peptide linking 0.00 0.00 HR7 HR8 C12Cl1H16N1O2 non-polymer 0.00 0.00 HR8 HRA C25Cl1H23N4O4 non-polymer 0.00 0.00 HRA HRB C17H27N3O5 non-polymer 0.50 0.40 HRB HRC C14H15N1O3S1 non-polymer 0.00 0.00 HRC HRD C11H12N6O1 non-polymer 0.00 0.00 HRD HRE C27Cl1H25N8O3 non-polymer 1.00 0.23 HRE HRG C7H16N4O2 L-peptide linking 0.00 0.00 HRG HRH C21Cl2F1H18N3O1 non-polymer 0.00 0.00 HRH HRI C6Cl1H11O2 non-polymer 0.00 0.00 HRI HRJ C15H11N3O6 non-polymer 1.00 0.58 HRJ HRK C20H27N3O9S1 non-polymer 1.00 0.67 HRK HRM C13H12N2O1 non-polymer 0.00 0.00 HRM HRN C42Cl3H37N6O5 non-polymer 0.00 0.00 HRN HRO C5Cl1H3N2O4 non-polymer 1.00 0.83 HRO HRP C11H12N2O3 L-peptide linking 0.00 0.00 HRP HRQ C21H23N3O2 non-polymer 0.00 0.00 HRQ HRS Br1C10H7N2O4S2 non-polymer 0.00 0.00 HRS HRT C28Cl2H27N5O3 non-polymer 0.36 0.11 HRT HRU C12H22N2Ru1 non-polymer 0.00 0.00 HRU HRV C18Cl2F4H14N4O2 non-polymer 0.00 0.00 HRV HRW C19F3H17N4O1S2 non-polymer 0.00 0.00 HRW HRX C8H13N1O7P2 non-polymer 0.00 0.00 HRX HRY C29Cl1H34N7O1 non-polymer 0.20 0.08 HRY HRZ C5H5N1O1 non-polymer 0.00 0.00 HRZ HS1 C12H16N2O7S1 non-polymer 0.62 0.45 HS1 HS2 C14H21N1O11 saccharide 1.00 1.00 HS2 HS3 C10H12N2O6S1 non-polymer 0.50 0.37 HS3 HS4 C14H12N2O4S1 non-polymer 0.00 0.00 HS4 HS5 C10F1H11N2O5S1 non-polymer 0.55 0.42 HS5 HS6 C8F1H7N2O4S1 non-polymer 0.00 0.00 HS6 HS7 C8H8N2O4S1 non-polymer 0.00 0.00 HS7 HS8 C6H10N3O5S1 L-peptide linking 0.00 0.00 HS8 HS9 C7H12N4O1 L-peptide linking 0.00 0.00 HS9 HSA C6H12N3O4P1 non-polymer 0.00 0.00 HSA HSC C31H50N7O18P3S1 non-polymer 1.00 0.38 HSC HSD C7H13N1O4 non-polymer 0.00 0.00 HSD HSE C4H9N1O3 L-peptide linking 0.72 1.00 HSE HSF C16F1H33O2S1 non-polymer 0.00 0.00 HSF HSG C14H28O6 saccharide 1.00 0.60 HSG HSH C14H28O6 saccharide 1.00 0.60 HSH HSI C24Cl1H25O3 non-polymer 0.58 0.32 HSI HSJ C14H28O6 saccharide 1.00 0.60 HSJ HSK C6H9N3O3 L-peptide linking 0.00 0.00 HSK HSL C4H7N1O2 L-peptide linking 0.00 0.00 HSL HSM C5H9N3 non-polymer 0.00 0.00 HSM HSO C6H12N3O1 L-peptide linking 0.00 0.00 HSO HSP C10H15O5P1S1 non-polymer 0.00 0.00 HSP HSQ C8H15N1O6 saccharide 1.00 1.00 HSQ HSR C8H15N1O6 saccharide 1.00 1.00 HSR HSS C16H21N9O7S1 non-polymer 1.00 0.30 HSS HST C14H25N3O2S1 non-polymer 0.00 0.00 HST HSU C5H10O5 saccharide 1.00 1.00 HSU HSV C6H10N3O1 L-peptide linking 0.00 0.00 HSV HSW H4N2O3S1 non-polymer 0.00 0.00 HSW HSX C5H11O8P1 saccharide 1.00 0.71 HSX HSY C5H10O5 L-saccharide 1.00 1.00 HSY HSZ C5H10O5 saccharide 1.00 1.00 HSZ HT C25H24N6O1 non-polymer 0.00 0.00 HT HT1 C27H28N6O1 non-polymer 0.00 0.00 HT1 HT2 C22H18N8 non-polymer 0.00 0.00 HT2 HT3 C7H16O3 non-polymer 0.97 0.80 HT3 HT4 C7H8O1S1 non-polymer 0.00 0.00 HT4 HT5 C14H26N1O2S1 non-polymer 0.00 0.00 HT5 HT6 C18H29N5O1S1 non-polymer 0.00 0.00 HT6 HT7 C12H14N2O2 L-peptide linking 0.00 0.00 HT7 HT8 C18H18N2O6 non-polymer 1.00 0.58 HT8 HTA C19H29N3O5 non-polymer 0.00 0.00 HTA HTB C29H35N3O1 non-polymer 0.00 0.00 HTB HTC C12H9N1O7S2 non-polymer 0.00 0.00 HTC HTD C12H18N4O7P2S1 non-polymer 0.00 0.00 HTD HTE C14H16N2O6 non-polymer 1.00 0.68 HTE HTF C12H21N1O3 non-polymer 0.00 0.00 HTF HTG C13H26O5S1 non-polymer 1.00 0.58 HTG HTH C7H16O3 non-polymer 0.97 0.80 HTH HTI C7H14N2O5S1 L-peptide linking 0.67 1.00 HTI HTJ C19H14N4O2 non-polymer 0.00 0.00 HTJ HTK C14H16O4 non-polymer 0.00 0.00 HTK HTL C14H21N4O8P2S1 non-polymer 0.62 0.10 HTL HTM C11H17N1O7 non-polymer 1.00 1.00 HTM HTN C5H10N2O4 D-peptide linking 0.76 0.91 HTN HTO C7H16O3 non-polymer 0.97 0.80 HTO HTP C7H12N3O4 non-polymer 1.00 0.93 HTP HTQ C16H21N1O3 non-polymer 0.00 0.00 HTQ HTR C11H12N2O3 L-peptide linking 0.00 0.00 HTR HTS C6H6O1S1 non-polymer 0.00 0.00 HTS HTT C20Cl1H22N7O1S1 non-polymer 0.00 0.00 HTT HTV C25Cl1H24N1O9 non-polymer 1.00 0.36 HTV HTW C18H18N2O6 non-polymer 1.00 0.58 HTW HTX C7H14O1 non-polymer 0.00 0.00 HTX HTY C9H11N1O4 D-peptide linking 0.00 0.00 HTY HTZ C36Cl2H40N6O2 non-polymer 0.33 0.15 HTZ HU1 C29H46N4O6 non-polymer 0.56 0.33 HU1 HU2 C34H52N4O7 non-polymer 0.39 0.56 HU2 HU4 C29H46N4O7 non-polymer 0.56 0.32 HU4 HU5 C27H45N5O5 non-polymer 0.39 0.46 HU5 HU7 C23Cl1H24N3O9 non-polymer 1.00 0.36 HU7 HU8 C28Cl2F1H30N7O1 non-polymer 0.39 0.13 HU8 HUB C16H20N2O1 non-polymer 0.00 0.00 HUB HUD C26H44N4O6 peptide-like 0.56 0.25 HUD HUE C38Cl2H42N6O1 non-polymer 0.00 0.00 HUE HUG C26F2H25N1O9 non-polymer 1.00 0.34 HUG HUH C2H3N3 non-polymer 0.00 0.00 HUH HUI C4H8O3 non-polymer 0.88 1.00 HUI HUJ B1C20H31N5O8 non-polymer 0.00 0.00 HUJ HUK C26H45N3 non-polymer 0.39 0.28 HUK HUL C16H12O6 non-polymer 0.00 0.00 HUL HUM C24F1H25N2O6S1 non-polymer 0.46 0.26 HUM HUN C24H38N3O1 non-polymer 0.00 0.00 HUN HUP C15H18N2O1 non-polymer 0.50 0.11 HUP HUQ C26H42N3O1 non-polymer 0.20 0.10 HUQ HUT C25H39N3O1 non-polymer 0.00 0.00 HUT HUV C15H20N1O14P3 non-polymer 1.00 0.39 HUV HUW C18Cl1H19N2O1 non-polymer 0.00 0.00 HUW HUX C18Cl1H19N2 non-polymer 0.00 0.00 HUX HUY C15F3H12N1O1 non-polymer 0.62 0.15 HUY HUZ C25H40N4O1 non-polymer 0.20 0.10 HUZ HV1 Br1C36H43N4O7 non-polymer 0.38 0.04 HV1 HV2 C3H6O3S1 non-polymer 0.00 0.00 HV2 HV4 C13H9N1O2S2 non-polymer 0.50 0.17 HV4 HV5 C6H13N1O2 L-peptide linking 0.58 1.00 HV5 HV7 C8H11N1O2 non-polymer 0.00 0.00 HV7 HV8 C19H24N2O4 peptide-like 0.00 0.00 HV8 HV9 C18F3H20N5O3S1 non-polymer 0.00 0.00 HV9 HVA C5H11N1O3 L-peptide linking 0.68 1.00 HVA HVB C3H9N2 non-polymer 0.42 0.60 HVB HVD C21H30O2 non-polymer 0.38 0.13 HVD HVE C12H18N5 non-polymer 0.00 0.00 HVE HVG C10H9N1O6 non-polymer 0.00 0.00 HVG HVH C25H34N6O1 non-polymer 0.00 0.00 HVH HVJ C17H22O2 non-polymer 0.38 0.16 HVJ HVK C5H6N2 non-polymer 0.00 0.00 HVK HVM C24H30N4O2 non-polymer 0.23 0.27 HVM HVP C6F1H5O5S2 non-polymer 0.00 0.00 HVP HVQ C5H8N1S1 non-polymer 0.00 0.00 HVQ HVS C13H11O4 non-polymer 0.50 0.65 HVS HVV C12H19N1O3 non-polymer 1.00 1.00 HVV HVW C24F3H29N2O3S1 non-polymer 0.36 0.12 HVW HVY C32Cl1H35N8O2 non-polymer 1.00 0.26 HVY HW0 C21H31N5O1 non-polymer 0.00 0.00 HW0 HW1 C22H33N5O1 non-polymer 0.00 0.00 HW1 HW4 C22F1H30N3O1 non-polymer 0.00 0.00 HW4 HW5 C22F1H28N3O1 non-polymer 0.38 0.15 HW5 HW6 C22Cl1F1H29N3O1 non-polymer 0.00 0.00 HW6 HW7 C21Cl1F1H27N3O2 non-polymer 0.75 0.21 HW7 HW8 C21H30N4O1 non-polymer 0.00 0.00 HW8 HW9 C22H32N4O1 non-polymer 0.00 0.00 HW9 HWA C7H7N1O4 non-polymer 1.00 1.00 HWA HWD C7H9N3O4 non-polymer 0.00 0.00 HWD HWG C23H28N2O4 non-polymer 0.60 0.34 HWG HWJ C14H11N5O4 non-polymer 1.00 0.61 HWJ HWM C13H11N5O2 non-polymer 0.00 0.00 HWM HWS C35Fe1H53N6O13 non-polymer 0.58 0.16 HWS HWU C17H27N3O16P2S1 non-polymer 1.00 0.56 HWU HWV C28F1H30N3O4 non-polymer 0.50 0.33 HWV HWY C34H41N3O8S1 non-polymer 0.00 0.00 HWY HX0 C32H68N1 non-polymer 0.00 0.00 HX0 HX2 C6H14O2 non-polymer 0.00 0.00 HX2 HX3 C6Cl2H6N2 non-polymer 0.00 0.00 HX3 HX4 C9H9N3 non-polymer 0.00 0.00 HX4 HX5 C5Cl2H4N2S1 non-polymer 0.00 0.00 HX5 HX7 C22Cl2H30N2O4S1 non-polymer 0.00 0.00 HX7 HX8 C12H10O2 non-polymer 0.00 0.00 HX8 HXA C22H32O2 non-polymer 0.42 0.88 HXA HXB C11H19N2O14P3 non-polymer 1.00 0.60 HXB HXC C27H46N7O17P3S1 non-polymer 1.00 0.42 HXC HXD C12H24O3 non-polymer 0.00 0.00 HXD HXG C20H41N1O8P1 non-polymer 0.98 0.73 HXG HXH C19H21N1O4 non-polymer 0.00 0.00 HXH HXJ C21H44N2O6P1 non-polymer 0.57 0.50 HXJ HXK C22H28O4S1 non-polymer 0.00 0.00 HXK HXL C21H18N6O1 non-polymer 0.00 0.00 HXL HXM C21Cl2H28N2O4S1 non-polymer 0.58 0.30 HXM HXP C16H14O5 non-polymer 0.00 0.00 HXP HXS C18H22O2 non-polymer 0.00 0.00 HXS HXT C8H8O2 non-polymer 0.97 0.40 HXT HXX C7Cl2H4O3 non-polymer 0.00 0.00 HXX HXY Br1C11H14N1 non-polymer 0.00 0.00 HXY HXZ C12H21N2O14P3 non-polymer 1.00 0.61 HXZ HY0 C20H37N3O13 non-polymer 1.00 0.94 HY0 HY1 C8H8O1 non-polymer 0.00 0.00 HY1 HY2 C34H39N5O5 non-polymer 0.00 0.00 HY2 HY3 C5H9N1O3 L-peptide linking 0.00 0.00 HY3 HY4 C14H31O5P1 non-polymer 0.98 0.60 HY4 HY7 Br1C16H17N4O2 non-polymer 0.00 0.00 HY7 HY8 C27H38N12O9 non-polymer 1.00 0.42 HY8 HYA C4H9N1O5 non-polymer 0.97 0.90 HYA HYB C32H42N2O5S1 non-polymer 0.45 0.43 HYB HYC C37H51N5O7 non-polymer 1.00 0.29 HYC HYD H1O1 non-polymer 0.00 0.00 HYD HYE C15H23N1O5 non-polymer 1.00 0.71 HYE HYF C35H52O4 non-polymer 0.38 0.36 HYF HYG C20H37N3O13 non-polymer 1.00 0.94 HYG HYH C6H13N1O2 non-polymer 0.00 0.00 HYH HYI C8H16N2O6S1 non-polymer 0.76 0.47 HYI HYM C11Cl2H9N5O2 non-polymer 0.00 0.00 HYM HYN C3H4N2O2 non-polymer 0.00 0.00 HYN HYP C5H9N1O3 L-peptide linking 0.00 0.00 HYP HYQ C20H18N2O4 non-polymer 0.00 0.00 HYQ HYS C18Cl2H22N2O4S1 non-polymer 0.00 0.00 HYS HYT C16F4H10N4O2 non-polymer 0.00 0.00 HYT HYV C24H29N5O1S1 non-polymer 0.00 0.00 HYV HYY C21Cl2H28N2O4S1 non-polymer 0.58 0.30 HYY HYZ C24F1H27N8 non-polymer 0.00 0.00 HYZ HZ1 C51H77N1O15 non-polymer 1.00 0.51 HZ1 HZ2 C26H36N12O9 non-polymer 1.00 0.43 HZ2 HZ3 C22H18O7 non-polymer 0.97 0.28 HZ3 HZ4 C20Cl2H26N2O4S1 non-polymer 0.59 0.28 HZ4 HZ7 C25H53O19P3 non-polymer 1.00 0.55 HZ7 HZB C11H20O9 non-polymer 1.00 1.00 HZB HZD C38H50N6O6S2 non-polymer 0.88 0.25 HZD HZE C22F2H24N4O2 non-polymer 0.58 0.13 HZE HZG C21H20N2O1S1 non-polymer 0.00 0.00 HZG HZH C11F3H11O1S1 non-polymer 0.00 0.00 HZH HZJ C18H22N2O6S2 non-polymer 0.00 0.00 HZJ HZK C21Cl1F1H19N3O4 non-polymer 0.00 0.00 HZK HZM C28H36N4O4S1 non-polymer 0.20 0.08 HZM HZN H4N2 non-polymer 0.00 0.00 HZN HZP C5H9N1O3 L-peptide linking 0.00 0.00 HZP HZQ C9Cl1H6N1O1 non-polymer 0.00 0.00 HZQ HZT C14F1H13N4O2S2 non-polymer 0.00 0.00 HZT HZV C28H36N4O4S1 non-polymer 0.20 0.08 HZV HZW C18Cl1F1H16N2O3 non-polymer 0.00 0.00 HZW HZY C19H21N2O6S1 non-polymer 0.00 0.00 HZY HZZ C10H19O4P1 non-polymer 0.62 0.73 HZZ I C10H13N4O8P1 RNA linking 1.00 0.43 I I01 C27F1H26N3O6 non-polymer 0.00 0.00 I01 I02 C28F1H30N5O4S1 non-polymer 0.38 0.26 I02 I03 C28F1H32N3O6S1 non-polymer 0.62 0.46 I03 I04 C27F1H27N4O5 non-polymer 0.00 0.00 I04 I05 C27F1H28N3O5 non-polymer 0.00 0.00 I05 I06 C16H14N2O2 non-polymer 0.00 0.00 I06 I08 C28F1H28N3O4 non-polymer 0.30 0.14 I08 I09 C27Cl2H33N3O3 non-polymer 0.38 0.06 I09 I0D C15Cl1H17N4O1 non-polymer 0.00 0.00 I0D I0G C18H18O3 non-polymer 0.00 0.00 I0G I0P C6H16O18P4 non-polymer 1.00 0.43 I0P I0X C31H34N4O5 peptide-like 0.56 0.65 I0X I0Y C31H36N2O6 peptide-like 0.56 0.67 I0Y I10 C26H31N3O4S1 non-polymer 0.00 0.00 I10 I11 C22H36N5O4S1 non-polymer 0.00 0.00 I11 I12 C30H46N6O8 non-polymer 0.75 0.30 I12 I13 C20Cl1H24N5O4 non-polymer 0.38 0.40 I13 I15 C16F1H9N4O1 non-polymer 0.00 0.00 I15 I16 C27H29N5O1 non-polymer 0.00 0.00 I16 I17 C23H31N7 non-polymer 0.00 0.00 I17 I18 C16Cl2H14N2 non-polymer 0.00 0.00 I18 I19 C24F1H30N7O1 non-polymer 0.36 0.12 I19 I1E C9H10O1 non-polymer 0.58 0.40 I1E I1H C27Cl2H29N3O3 non-polymer 0.00 0.00 I1H I1L C3H7N6O1 non-polymer 0.00 0.00 I1L I1N C6H10O6 non-polymer 0.00 0.00 I1N I1P C21H24N8O2S1 non-polymer 0.20 0.09 I1P I1S C16H18N1O5P1 non-polymer 0.00 0.00 I1S I20 C25H36N5O7P1 non-polymer 0.64 0.16 I20 I21 C34H27N3O3 non-polymer 0.00 0.00 I21 I22 C7H15O10P1 non-polymer 1.00 0.78 I22 I23 C22H34N2O3S1 non-polymer 0.00 0.00 I23 I24 C22F2H28N6O2 non-polymer 0.00 0.00 I24 I25 C24H34N4O3 non-polymer 0.55 0.23 I25 I26 C24F1H33N4O3 non-polymer 0.55 0.22 I26 I28 C24H27N1O4 non-polymer 0.75 0.17 I28 I29 C27Cl2H34N4O3S1 non-polymer 0.00 0.00 I29 I2A C62Co1H88N13O15P1 non-polymer 1.00 0.11 I2A I2C C19H23N6O10P1 non-polymer 1.00 0.28 I2C I2E C10H10O4 non-polymer 0.00 0.00 I2E I2H C19H22N4O3 non-polymer 0.00 0.00 I2H I2I I2 non-polymer 0.00 0.00 I2I I2M C7H15N1O2 L-peptide linking 0.57 1.00 I2M I2O C23H24N2O2 non-polymer 0.00 0.00 I2O I2P C6H15O15P3 non-polymer 1.00 0.50 I2P I30 Br1C16H13N4O2 non-polymer 0.38 0.26 I30 I31 C29Cl2H32N2O1 non-polymer 0.38 0.06 I31 I32 C16H20I1N3O2 non-polymer 0.57 0.45 I32 I37 C16F1H19N4O2 non-polymer 0.00 0.00 I37 I38 C6H11N1O3S1 non-polymer 0.64 0.55 I38 I39 C19F2H14N2O2 non-polymer 0.00 0.00 I39 I3A C9H7N1O1 non-polymer 0.00 0.00 I3A I3C C8H4I3N1O4 non-polymer 0.00 0.00 I3C I3E C11H14O1 non-polymer 0.58 0.33 I3E I3K C24Cl1H18N3O4 non-polymer 0.00 0.00 I3K I3M I3 non-polymer 0.00 0.00 I3M I3N C19H19N1O3 non-polymer 0.00 0.00 I3N I3P C6H15O15P3 non-polymer 1.00 0.50 I3P I3S C6H15O15P3 non-polymer 1.00 0.50 I3S I40 C20H19I1N2 non-polymer 0.00 0.00 I40 I41 C18H22N4O5 non-polymer 0.56 0.59 I41 I42 H1O4V1 non-polymer 0.00 0.00 I42 I43 C11H16N2O4 non-polymer 0.69 0.35 I43 I45 Br1C22F2H19N2O3 non-polymer 0.50 0.13 I45 I46 C14F2H9N3 non-polymer 0.00 0.00 I46 I47 C20Cl1H20N5O2 non-polymer 0.00 0.00 I47 I48 C20H22N3O3S1 non-polymer 0.00 0.00 I48 I4A C22H22N2O3 non-polymer 0.00 0.00 I4A I4B C10H14 non-polymer 0.00 0.00 I4B I4D C6H13O9P1 non-polymer 1.00 0.75 I4D I4G C6H13N1O2 L-peptide linking 0.00 0.00 I4G I4I C26H32N4O8 non-polymer 0.00 0.00 I4I I4P C6H16O18P4 non-polymer 1.00 0.43 I4P I4U C12H19N2O9P1 RNA linking 1.00 0.58 I4U I50 C19Cl1F3H21N5O2 non-polymer 0.38 0.20 I50 I51 C9H12N2O4 non-polymer 1.00 1.00 I51 I52 C29H42N4O6S1 non-polymer 0.42 0.20 I52 I53 C21Cl2H23N5O1 non-polymer 0.00 0.00 I53 I57 C21H26N4O7 non-polymer 1.00 0.69 I57 I58 C8F1H16N3O2 L-peptide linking 0.00 0.00 I58 I59 C11H11O4P1 non-polymer 0.00 0.00 I59 I5A C9H12I1N3O4 non-polymer 1.00 0.53 I5A I5C C9H13I1N3O7P1 DNA linking 1.00 0.43 I5C I5H C12H11N3O2 non-polymer 0.00 0.00 I5H I5I C12H9N3O1S1 non-polymer 0.00 0.00 I5I I5P C6H17O21P5 non-polymer 1.00 0.38 I5P I5R C16H14N4O1 non-polymer 0.00 0.00 I5R I5S C20Cl1H22N3O3S1 non-polymer 0.38 0.29 I5S I5T C23H24N2O3 non-polymer 0.00 0.00 I5T I5U C27H29N5O2S2 non-polymer 0.43 0.28 I5U I5W C22H18O3 non-polymer 0.58 0.20 I5W I63 C32H41N1O9 non-polymer 0.54 0.24 I63 I66 C22H23N1O4 non-polymer 0.75 0.19 I66 I6G C11H12N2O2 non-polymer 0.00 0.00 I6G I6P C6H18O24P6 non-polymer 1.00 0.33 I6P I6X C30F1H25N4O1 non-polymer 0.38 0.06 I6X I73 C22H30N6O1 non-polymer 0.00 0.00 I73 I74 C22H30N6O1 non-polymer 0.00 0.00 I74 I75 C9H10O3 non-polymer 0.62 0.25 I75 I76 C25Cl1H22N5O1 non-polymer 0.36 0.12 I76 I79 C26Cl1H22N3O2S1 non-polymer 0.00 0.00 I79 I7A C6Cl2H6N2O4S2 non-polymer 0.00 0.00 I7A I7B C6Cl1H8N3O4S2 non-polymer 0.00 0.00 I7B I7C C7F3H8N3O4S2 non-polymer 0.00 0.00 I7C I7P C6H19O27P7 non-polymer 1.00 0.30 I7P I7T C21H21I1N2O7 non-polymer 0.20 0.10 I7T I83 C3Cl2H10N2Pt1 non-polymer 0.17 0.62 I83 I84 C19H22N2O5S1 non-polymer 0.00 0.00 I84 I85 C24F3H22N5O2 non-polymer 0.00 0.00 I85 I8P C6H20O30P8 non-polymer 1.00 0.27 I8P I92 Br1C10H7O4 non-polymer 0.94 0.53 I92 I93 C11Cl1F1H8O4 non-polymer 0.94 0.47 I93 I96 C16H18N4S2 non-polymer 0.00 0.00 I96 I98 C16Cl1F1H14N2O4 non-polymer 0.00 0.00 I98 I9H C22Cl1F2H21N6O3 non-polymer 0.67 0.21 I9H IA C25H24I1N6 non-polymer 0.00 0.00 IA IA2 C10Cl5H4N1O1 non-polymer 0.00 0.00 IA2 IA7 C15H15N7S1 non-polymer 0.38 0.09 IA7 IA9 C19Cl1F1H20N4O3 non-polymer 0.00 0.00 IA9 IAA C18H13N3O4 non-polymer 0.00 0.00 IAA IAB C25H43N1O18 saccharide 1.00 0.75 IAB IAC C10H9N1O2 non-polymer 0.00 0.00 IAC IAD C14H14N2O5 non-polymer 0.86 0.43 IAD IAG C12H12N2O3 non-polymer 0.00 0.00 IAG IAM C13H20N2O2 L-peptide linking 0.36 0.24 IAM IAN C9H13O4P1 non-polymer 0.54 0.64 IAN IAP B1C8H9I1N1O3 non-polymer 0.00 0.00 IAP IAQ C24F1H25N6O1 non-polymer 0.50 0.31 IAQ IAR C6H12N4O2 peptide linking 0.93 0.33 IAR IAS C4H7N1O4 L-beta-peptide, C-gamma linking 0.86 1.00 IAS IAV C15H18N2O3 non-polymer 0.59 0.40 IAV IB C26H26I1N6O1 non-polymer 0.00 0.00 IB IB1 C19F2H12N4O2 non-polymer 0.00 0.00 IB1 IB2 C21H29N10O14P3S1 non-polymer 1.00 0.41 IB2 IB3 C12H18N1O5P1 non-polymer 0.50 0.32 IB3 IB8 C29H37N3O3 non-polymer 0.30 0.17 IB8 IBA C18H27N3O4 non-polymer 0.00 0.00 IBA IBB C23H20N6O1 non-polymer 0.00 0.00 IBB IBC C11H14N2O4 non-polymer 0.00 0.00 IBC IBD C21Cl2H25N5O2S1 non-polymer 0.50 0.42 IBD IBF C6F5I1 non-polymer 0.00 0.00 IBF IBG C17H22I1N3O6S1 non-polymer 0.00 0.00 IBG IBH C16F2H14N4O2S2 non-polymer 0.00 0.00 IBH IBI C34H50N8O3 non-polymer 0.36 0.09 IBI IBK C14H18N2O3S1 non-polymer 0.38 0.45 IBK IBM C10H14N4O2 non-polymer 0.00 0.00 IBM IBN C4H11N1 non-polymer 0.00 0.00 IBN IBO C4H9N1O1 non-polymer 0.00 0.00 IBO IBP C13H18O2 non-polymer 0.46 0.53 IBP IBQ C32H31I1N2O2 non-polymer 0.20 0.08 IBQ IBR Br1C11H12N1O3 non-polymer 0.50 0.44 IBR IBS C9H19O17P3 non-polymer 1.00 0.62 IBS IBU C5H10O3 non-polymer 0.56 0.62 IBU IBZ C7H7I1S1 non-polymer 0.00 0.00 IBZ IC C9H14N3O8P1 RNA linking 1.00 0.48 IC IC1 C18H17N1O4 non-polymer 0.00 0.00 IC1 IC3 C11F3H7N5O2 non-polymer 0.00 0.00 IC3 IC8 C22H19N7O1 non-polymer 0.00 0.00 IC8 IC9 C10H15N1O2S1 non-polymer 0.00 0.00 IC9 ICA C6Ca1H7O7 non-polymer 0.81 0.93 ICA ICB C9H7N1O2 non-polymer 0.00 0.00 ICB ICC C6H11N1O1 non-polymer 0.00 0.00 ICC ICD C14H13N3O5S1 non-polymer 0.00 0.00 ICD ICE C1FE7H1S8 non-polymer 0.00 0.00 ICE ICF C3Cl1F5H2O1 non-polymer 0.00 0.00 ICF ICG C1FE7H1S8SE1 non-polymer 0.00 0.00 ICG ICH C1FE7H1S6SE3 non-polymer 0.00 0.00 ICH ICI C6H8O7 non-polymer 0.84 1.00 ICI ICJ C31H52O3 non-polymer 0.25 0.15 ICJ ICL C17Cl1H23N2O4 non-polymer 0.56 0.21 ICL ICN C6H11N1O1 non-polymer 0.54 0.88 ICN ICO C9H7N1O2 non-polymer 0.00 0.00 ICO ICP C6H7N3 non-polymer 0.00 0.00 ICP ICR C9H14N3O9P1 non-polymer 1.00 0.45 ICR ICS C1FE7H1S9 non-polymer 0.00 0.00 ICS ICT C6H8O7 non-polymer 0.84 1.00 ICT ICU C12H13N1O6 non-polymer 0.62 0.63 ICU ICX C23H25I1N2O4 non-polymer 0.64 0.43 ICX ICY C10H12I1N1O2S1 L-peptide linking 0.00 0.00 ICY ID1 C12H19N3O4S1 non-polymer 0.54 0.45 ID1 ID2 C9H11I1N2O5 non-polymer 1.00 0.53 ID2 ID3 C13H20O1 non-polymer 0.62 0.21 ID3 ID4 C15F4H16N4O2S1 non-polymer 0.00 0.00 ID4 ID5 C17F4H10N2O4S1 non-polymer 0.00 0.00 ID5 ID6 C20Cl1H20N1O2 non-polymer 0.00 0.00 ID6 ID8 C15H15N1O2 non-polymer 0.00 0.00 ID8 IDA C15H18N2O3 non-polymer 0.00 0.00 IDA IDB C20H14I6N2O6 non-polymer 0.00 0.00 IDB IDC C14H22N2O9 non-polymer 1.00 0.92 IDC IDD C14H16N2O4 non-polymer 1.00 0.60 IDD IDE C15H19N3O4 non-polymer 1.00 0.55 IDE IDF C6F2H8O6 non-polymer 1.00 0.86 IDF IDG C6H14N2O4 L-saccharide 1.00 1.00 IDG IDH C4H5I1N2O2 non-polymer 0.00 0.00 IDH IDI C9H10I1N1 non-polymer 0.00 0.00 IDI IDJ C6H11N1O5 non-polymer 1.00 1.00 IDJ IDK C21H22N4O3S1 non-polymer 0.00 0.00 IDK IDL C9H8N2O2 non-polymer 0.00 0.00 IDL IDM C8H9N1 non-polymer 0.00 0.00 IDM IDN C22H22N4O2 non-polymer 0.50 0.14 IDN IDO I1 non-polymer 0.00 0.00 IDO IDP C10H14N4O11P2 non-polymer 1.00 0.37 IDP IDQ C22H25N5 non-polymer 0.00 0.00 IDQ IDR C6H10O7 L-saccharide 1.00 1.00 IDR IDS C6H10O10S1 saccharide 1.00 0.76 IDS IDT C6H8O7 L-saccharide 1.00 1.00 IDT IDU C6H10O10S1 L-saccharide 1.00 0.76 IDU IDV C19H21N5O3S1 non-polymer 0.00 0.00 IDV IDX C6H10O10S1 L-saccharide 1.00 0.76 IDX IDY C7H12O10S1 saccharide 1.00 0.72 IDY IDZ C14H10N4 non-polymer 0.00 0.00 IDZ IE2 C16H14N4O2S2 non-polymer 0.00 0.00 IE2 IE4 C13H14N4O2S2 non-polymer 0.00 0.00 IE4 IE6 C14H16N4O2S2 non-polymer 0.00 0.00 IE6 IE8 C24H20N4O2 non-polymer 0.00 0.00 IE8 IEE C12Cl1H13N4 non-polymer 0.00 0.00 IEE IEF C16F1H32O2P1 non-polymer 0.58 0.40 IEF IEJ C7H9N1O2S1 non-polymer 0.00 0.00 IEJ IEL C8H17N3O2 L-peptide linking 0.00 0.00 IEL IEM C12H19N1O6 non-polymer 1.00 1.00 IEM IEO C15H16N4O2 non-polymer 0.00 0.00 IEO IEP C47H85O19P3 non-polymer 1.00 0.58 IEP IES C30H40N4O6 non-polymer 0.58 0.10 IES IET C16Cl2H12N4S1 non-polymer 0.00 0.13 IET IEY C17H16N4O4 L-peptide linking 0.17 0.20 IEY IF7 C6H11N1O4 non-polymer 1.00 1.00 IF7 IFA C17F2H14I1N1O4 non-polymer 0.69 0.36 IFA IFB C16F2H12I1N1O4 non-polymer 0.61 0.33 IFB IFC C23F3H18N5O3 non-polymer 0.00 0.00 IFC IFG C8H16N2O4 non-polymer 1.00 0.79 IFG IFL C6H11N1O4 non-polymer 1.00 1.00 IFL IFM C6H13N1O3 non-polymer 1.00 1.00 IFM IFP C6F3H4N3 non-polymer 0.00 0.00 IFP IFS C13H21O3P1S1 non-polymer 0.58 0.44 IFS IG C10H14N5O8P1 RNA linking 1.00 0.42 IG IG2 C6H11N2O6P1 non-polymer 1.00 0.60 IG2 IGA C5H5N5O1 non-polymer 0.00 0.00 IGA IGC C44H81N1O18 non-polymer 1.00 0.68 IGC IGF C7H11N1O2S2 non-polymer 0.00 0.00 IGF IGL C11H13N1O2 L-peptide linking 0.00 0.00 IGL IGM C26Cl2H24N4O5S2 non-polymer 0.00 0.00 IGM IGN C21H38N6O4 non-polymer 0.00 0.00 IGN IGP C11H14N1O6P1 non-polymer 1.00 0.47 IGP IGU C10H14N5O7P1 DNA linking 1.00 0.39 IGU IH1 Br1C23H29N6O5S1 non-polymer 0.00 0.00 IH1 IH2 C30H36N6O3 non-polymer 0.00 0.00 IH2 IH3 C31H35N7O3 non-polymer 0.00 0.00 IH3 IH4 C37H44N4O3 non-polymer 0.56 0.14 IH4 IH5 C17Cl2H16O4 non-polymer 0.00 0.00 IH5 IH6 C17H22N2O5S2 non-polymer 0.50 0.19 IH6 IH9 C9H13N1O4S1 non-polymer 0.00 0.00 IH9 IHA C21H19N5O5S1 non-polymer 0.00 0.00 IHA IHB C7H5I1O3 non-polymer 0.00 0.00 IHB IHC C19Cl2H13N5O3S1 non-polymer 0.00 0.00 IHC IHD C16H33I1 non-polymer 0.00 0.00 IHD IHE C19H28N8 non-polymer 0.00 0.00 IHE IHG C4H11N3O1 non-polymer 0.39 0.62 IHG IHH C22H19N7 non-polymer 0.00 0.00 IHH IHI C23H24N8O1 non-polymer 0.00 0.00 IHI IHJ C25H32N8O1 non-polymer 0.00 0.00 IHJ IHM C29F2H28N4O4 non-polymer 0.00 0.00 IHM IHP C6H18O24P6 non-polymer 1.00 0.33 IHP IHS C6H12O24S6 non-polymer 1.00 0.33 IHS IHU C15Cl1F1H12N2O4 non-polymer 0.00 0.00 IHU IHX C20F3H19N4O1 non-polymer 0.00 0.00 IHX IHZ C21F3H17N4O2 non-polymer 0.00 0.00 IHZ II2 C20H15N3O2S1 non-polymer 0.00 0.00 II2 II4 C14H13N3 non-polymer 0.00 0.00 II4 II6 C9H19N1O1 non-polymer 0.00 0.00 II6 IIA C25Cl1H27N4O2S1 non-polymer 0.36 0.12 IIA IIB C27Cl1H28N5O2S1 non-polymer 0.36 0.11 IIB IIC C11H15N5O4 L-peptide linking 0.00 0.00 IIC IID C25H31N3O2 non-polymer 0.36 0.13 IID IIE C25Cl1H29N4O2 non-polymer 0.36 0.12 IIE IIG C22F3H28N1O3 non-polymer 0.33 0.24 IIG IIH C13Cl1H6I2N1O2 non-polymer 0.00 0.00 IIH III C14H18N4 non-polymer 0.20 0.17 III IIL C6H13N1O2 L-peptide linking 0.58 1.00 IIL IIN C15H14N2O1 non-polymer 0.00 0.00 IIN IIP C30H41N12O5 non-polymer 0.20 0.06 IIP IJ1 C10H15N1O3S1 non-polymer 0.00 0.00 IJ1 IJ2 C7H11N1O4S1 non-polymer 0.00 0.00 IJ2 IJ4 C10F1H14N1O3S1 non-polymer 0.00 0.00 IJ4 IJ6 C9H19N1O3S1 non-polymer 0.00 0.00 IJ6 IJZ C5H5N3O4 non-polymer 1.00 0.92 IJZ IK1 C12H11N3O2S1 non-polymer 0.00 0.00 IK1 IK2 C10H15N2O8P1 non-polymer 0.00 0.00 IK2 IK4 C23H20N2O7S1 non-polymer 0.68 0.30 IK4 IK8 C24F4H20N8O2 non-polymer 0.20 0.08 IK8 IK9 C19F1H17N6O3 non-polymer 0.00 0.00 IK9 IKM C12H14N2O6 non-polymer 1.00 0.75 IKM IKR C19H20I1N1O4 non-polymer 0.97 0.32 IKR IKT C11H21N1O4 non-polymer 0.00 0.00 IKT IKX C11H12N4O5 non-polymer 1.00 0.65 IKX IKY C11F3H7N2O3 non-polymer 0.00 0.00 IKY IL0 C6H15N1O2 peptide-like 0.58 1.00 IL0 IL2 C22H32O4 non-polymer 0.46 0.38 IL2 IL3 C11H14N2O3S1 non-polymer 0.50 0.29 IL3 IL5 C7H6N2O5S2 non-polymer 0.00 0.00 IL5 ILA C16H26N8O6S1 non-polymer 1.00 0.32 ILA ILB C20F5H14N1O4 non-polymer 0.00 0.00 ILB ILC C19F1H14N1O4S1 non-polymer 0.00 0.00 ILC ILD C29H43N1O6 non-polymer 0.00 0.00 ILD ILE C6H13N1O2 L-peptide linking 0.58 1.00 ILE ILE_LEO2 C6H11N1O2 NA 0.54 1.00 ILE_LEO2 ILE_LEO2H C6H12N1O2 NA 0.58 1.00 ILE_LEO2H ILE_LFOH C6H13N1O2 NA 0.58 1.00 ILE_LFOH ILE_LFZW C6H13N1O2 NA 0.54 1.00 ILE_LFZW ILE_LL C6H11N1O1 NA 0.00 0.00 ILE_LL ILE_LSN3 C6H13N1O1 NA 0.00 0.00 ILE_LSN3 ILF C19F5H10N1O4S1 non-polymer 0.00 0.00 ILF ILG C5H10N1O3 L-peptide linking 0.59 1.00 ILG ILH C20F7H10N1O4 non-polymer 0.00 0.00 ILH ILI C27H32N4O6S1 non-polymer 0.00 0.00 ILI ILL C10Cl1H9N2O1 non-polymer 0.00 0.00 ILL ILM C7H15N1O2 L-peptide NH3 amino terminus 0.54 0.90 ILM ILO C7H15N3O2 non-polymer 0.43 0.83 ILO ILP C14H23N2O7P1 non-polymer 0.58 0.38 ILP ILT C17H25N11O3 non-polymer 0.33 0.19 ILT ILV C17H23N3O2 non-polymer 0.00 0.00 ILV ILX C6H13N1O4 L-peptide linking 0.73 1.00 ILX ILY C9H20N2O2 non-polymer 0.36 0.31 ILY IM1 C31H42N4O4 non-polymer 0.56 0.13 IM1 IM2 C12H19N3O4S1 non-polymer 0.54 0.45 IM2 IM3 C9H9N1O4 non-polymer 0.93 0.29 IM3 IM4 C9Cl1H10N5O2 non-polymer 0.00 0.00 IM4 IM5 C12H17N5O3 non-polymer 0.00 0.00 IM5 IM6 C21H21N5O1 non-polymer 0.38 0.07 IM6 IM7 C21Cl1H24N3O1 non-polymer 0.00 0.00 IM7 IM8 C23Cl1H25N2O4 non-polymer 0.50 0.20 IM8 IM9 C23H29N7O2 non-polymer 0.36 0.12 IM9 IMA C34H36N5O2 non-polymer 0.20 0.07 IMA IMB C10H12N2O6P2 non-polymer 0.00 0.00 IMB IMC C10H16N3O7P1 DNA linking 1.00 0.43 IMC IMD C3H5N2 non-polymer 0.00 0.00 IMD IME C12Cu1H16N8O2 non-polymer 0.00 0.00 IME IMF C12Cu1H20N8O2 non-polymer 0.00 0.00 IMF IMG C11H15N5O4 non-polymer 1.00 0.60 IMG IMH C11H14N4O4 non-polymer 1.00 0.63 IMH IMI C10H17N3O2S1 non-polymer 0.00 0.00 IMI IMJ C23H24N4O2 non-polymer 0.50 0.14 IMJ IMK C14H18N2O5 non-polymer 1.00 0.67 IMK IML C7H15N1O2 L-peptide linking 0.58 0.90 IML IMM C19H16I1N1O4 non-polymer 0.00 0.00 IMM IMN C19Cl1H16N1O4 non-polymer 0.00 0.00 IMN IMO C10H14N4O11P2 non-polymer 1.00 0.37 IMO IMP C10H13N4O8P1 non-polymer 1.00 0.43 IMP IMQ C15H18N2O3 non-polymer 1.00 0.45 IMQ IMR C5H11N1O3 non-polymer 1.00 1.00 IMR IMS C23Cl1H25N2O4 non-polymer 0.50 0.20 IMS IMT C5H7N3O2 non-polymer 0.00 0.00 IMT IMU C11H16N5O7P1 non-polymer 1.00 0.50 IMU IMV C17H13N1O5 non-polymer 0.00 0.00 IMV IMW C10H12O2 non-polymer 0.00 0.00 IMW IMX C20F1H17N2O3 non-polymer 0.00 0.00 IMX IMY C30Cl2H32N4O3 non-polymer 0.58 0.10 IMY IMZ Br2C31H34N4O4 non-polymer 0.00 0.00 IMZ IN In1 non-polymer 0.00 0.00 IN IN0 C30Cl1H31N2O7 non-polymer 0.86 0.32 IN0 IN1 C13H24O10 saccharide 1.00 1.00 IN1 IN2 C8H18N4O3 non-polymer 0.20 0.20 IN2 IN3 C29H33N5O6 non-polymer 0.38 0.57 IN3 IN4 C20H24N4O2 non-polymer 0.62 0.23 IN4 IN5 C10H18N2O8P2 non-polymer 0.00 0.00 IN5 IN6 C31H39N5O6S1 non-polymer 0.41 0.44 IN6 IN7 C19H22N2O4S1 non-polymer 0.00 0.00 IN7 IN8 C19H18N4O3S2 non-polymer 0.00 0.00 IN8 IN9 C13F5H10N5O2S2 non-polymer 0.00 0.00 IN9 INA C29H40N6O7 non-polymer 0.34 0.76 INA INB C26H54N1O6P1S1 non-polymer 0.68 0.46 INB INC C9H17N1O4 non-polymer 0.56 0.79 INC IND C8H7N1 non-polymer 0.00 0.00 IND INE Br1C7H4N3O2 non-polymer 0.00 0.00 INE INF C10H12N2O4 non-polymer 0.00 0.00 INF ING C10H12N2O3 non-polymer 0.00 0.00 ING INH C25H35N6O4 non-polymer 0.64 0.17 INH INI C9H14N4O8 non-polymer 1.00 0.90 INI INJ C14H26N3O9P1 non-polymer 1.00 0.74 INJ INK C11Cl1H16O3P1 non-polymer 0.75 0.38 INK INL C18H21N3O6S3 non-polymer 0.00 0.00 INL INM C10H15N3O5S3 non-polymer 0.56 0.24 INM INN C19H37N5O5 peptide-like 0.38 0.07 INN INO C6H5N1O4 non-polymer 0.00 0.00 INO INP C31H43N5O6 non-polymer 0.00 0.00 INP INQ C17H19N3O6S3 non-polymer 0.00 0.00 INQ INR C16H10N2O5S1 non-polymer 0.00 0.00 INR INS C6H12O6 non-polymer 1.00 1.00 INS INT C25H33N3O5 non-polymer 0.45 0.76 INT INU C27H29N1O5S1 non-polymer 0.00 0.00 INU INV C14F1H13N2O3S1 non-polymer 0.00 0.00 INV INW C14F2H12N2O3S1 non-polymer 0.00 0.00 INW INX C30H37N3O10 non-polymer 0.00 0.00 INX INY C15Cl3H18N1O1 non-polymer 0.00 0.00 INY INZ C27H33N3O9 non-polymer 0.81 0.21 INZ IO2 C15H14O3 non-polymer 0.00 0.00 IO2 IO3 C11H11I3O3 non-polymer 0.00 0.00 IO3 IOA C14F2H12N2O3S1 non-polymer 0.00 0.00 IOA IOB C7H7I1O1 non-polymer 0.00 0.00 IOB IOC C14F3H11N2O3S1 non-polymer 0.00 0.00 IOC IOD I1 non-polymer 0.00 0.00 IOD IOE C14F3H11N2O3S1 non-polymer 0.00 0.00 IOE IOF C14F3H11N2O3S1 non-polymer 0.00 0.00 IOF IOG C33H39N3O3 non-polymer 0.00 0.00 IOG IOH C3H8O1 non-polymer 0.50 1.00 IOH IOK C26H26N2O2 non-polymer 0.00 0.00 IOK IOL C6H5I1O1 non-polymer 0.00 0.00 IOL IOM C4H11N3O2 non-polymer 0.71 0.67 IOM ION C15H24 non-polymer 0.38 0.20 ION IOP C11H11N1O2 non-polymer 0.00 0.00 IOP IOR C9H16N4O3 L-peptide linking 0.00 0.00 IOR IOS C8H7N1O4S1 non-polymer 0.00 0.00 IOS IOT C18H28N9O10P1 non-polymer 1.00 0.66 IOT IOX C7H8O3S1 non-polymer 0.00 0.00 IOX IOY C9H10I1N1O2 D-peptide linking 0.00 0.00 IOY IP0 C9H12O1 non-polymer 0.00 0.00 IP0 IP1 C14H21N3O6S1 non-polymer 0.00 0.00 IP1 IP2 C6H14O12P2 non-polymer 1.00 0.60 IP2 IP3 C5H12O1 non-polymer 0.00 0.00 IP3 IP4 C7H13N1O1 non-polymer 0.00 0.00 IP4 IP5 C6H17O21P5 non-polymer 1.00 0.38 IP5 IP6 C20H18N4 non-polymer 0.00 0.00 IP6 IP7 C26H23N5O1 non-polymer 0.00 0.00 IP7 IP8 C5H11O4P1 non-polymer 0.50 0.50 IP8 IP9 C25H50O22P4 non-polymer 1.00 0.51 IP9 IPA C3H8O1 non-polymer 0.50 1.00 IPA IPB C10H14O1 non-polymer 0.00 0.00 IPB IPC C22H21N1O3S1 non-polymer 0.50 0.22 IPC IPD C6H11O9P1 non-polymer 1.00 0.75 IPD IPE C5H12O7P2 non-polymer 0.50 0.36 IPE IPF C50H64N8O8 non-polymer 0.50 0.41 IPF IPG C5H11N1O2 L-peptide linking 0.64 1.00 IPG IPH C6H6O1 non-polymer 0.00 0.00 IPH IPI C5H13O3P1 non-polymer 0.00 0.00 IPI IPJ C15H12O2 non-polymer 0.33 0.24 IPJ IPK C26H26N4O1S1 non-polymer 0.00 0.00 IPK IPL C11H14N1O4P1 non-polymer 0.00 0.00 IPL IPM C7H12O5 non-polymer 0.79 1.00 IPM IPN C10H14I1N4O5 RNA linking 0.00 0.00 IPN IPO C9H11I1N2O2 non-polymer 0.00 0.00 IPO IPP C9H11I1N1O3P1 non-polymer 0.00 0.00 IPP IPR C5H14O7P2 non-polymer 0.00 0.00 IPR IPS H1O4P1 non-polymer 0.00 0.00 IPS IPT C9H18O5S1 D-saccharide 1.00 0.73 IPT IPU C4H10N2S1 non-polymer 0.00 0.00 IPU IPV C24H29N5O4S1 non-polymer 0.00 0.00 IPV IPW C22Cl1H20N5O1 non-polymer 0.00 0.00 IPW IPX C22F1H21N2O3 non-polymer 0.00 0.00 IPX IPY C31H42N11O5 non-polymer 0.20 0.06 IPY IPZ C8H12N2O1 non-polymer 0.00 0.00 IPZ IQ0 C6H10O2 non-polymer 0.00 0.00 IQ0 IQ1 C21H20N4 non-polymer 0.38 0.08 IQ1 IQ5 C10H11N3O1S1 non-polymer 0.00 0.00 IQ5 IQ6 C18Cl1H19N4 non-polymer 0.00 0.00 IQ6 IQ7 C23Cl1H24N5O3 non-polymer 0.61 0.38 IQ7 IQA C17H12N2O3 non-polymer 0.00 0.00 IQA IQB Br1C20H20N3O2S1 non-polymer 0.29 0.15 IQB IQD C9H7N1O2 non-polymer 0.00 0.00 IQD IQG C21H22N9O7P1 non-polymer 1.00 0.24 IQG IQK C24H22N2O6S2 non-polymer 0.00 0.00 IQK IQO C34H29N7O1 non-polymer 0.00 0.00 IQO IQP C14H17N3O2S1 non-polymer 0.00 0.00 IQP IQQ C13H10O3 non-polymer 0.00 0.00 IQQ IQS C12H15N3O2S1 non-polymer 0.00 0.00 IQS IQU C11H13N3O2S1 non-polymer 0.00 0.00 IQU IQW C13H13N5 non-polymer 0.00 0.00 IQW IQX C16F1H16N5O3S3 non-polymer 0.00 0.00 IQX IQZ C15H16N2O1 non-polymer 0.00 0.00 IQZ IR Ir1 non-polymer 0.00 0.00 IR IR1 C18H10N6O1 non-polymer 0.00 0.00 IR1 IR2 C27H22N4O2 non-polymer 0.00 0.00 IR2 IR3 Ir1 non-polymer 0.00 0.00 IR3 IR4 C19H19N3O2 non-polymer 0.62 0.12 IR4 IR5 C23H19N1O3 non-polymer 0.62 0.11 IR5 IR6 C23H19N1O4S1 non-polymer 0.62 0.10 IR6 IR8 C6H15N1O10P2 non-polymer 1.00 0.58 IR8 IR9 C6H15N1O10P2 non-polymer 1.00 0.58 IR9 IRA Br1C9H9O3 non-polymer 0.00 0.00 IRA IRB Br1C17H10N3O4 non-polymer 0.00 0.00 IRB IRC C27H46N7O18P3S1 non-polymer 1.00 0.41 IRC IRE C22Cl1F1H24N4O3 non-polymer 0.00 0.00 IRE IRF C16H17I1N4O6 non-polymer 0.97 0.37 IRF IRG C17H16N4 non-polymer 0.00 0.00 IRG IRH C16H12O7 non-polymer 0.00 0.00 IRH IRI H18Ir1N6 non-polymer 0.00 0.00 IRI IRL C36H35N3O4 non-polymer 0.50 0.37 IRL IRN C8H13N2O7P1 RNA linking 1.00 0.56 IRN IRO C5H3I1N2O4 non-polymer 1.00 0.83 IRO IRP C11H15N4O7P1 non-polymer 1.00 0.52 IRP IRS C4H9N1 non-polymer 0.38 0.60 IRS IS1 C29H38N3O6 non-polymer 1.00 0.26 IS1 IS2 C9H12N1O4P1 non-polymer 0.00 0.00 IS2 IS3 C5H14O6P2S1 non-polymer 0.00 0.00 IS3 IS8 C1H1N1S1 non-polymer 0.00 0.00 IS8 ISA C9H9I1O2S1 non-polymer 0.00 0.00 ISA ISB C4H8O2 non-polymer 0.75 1.00 ISB ISC C10H10O6 non-polymer 0.95 0.38 ISC ISD C6H8O6 non-polymer 1.00 1.00 ISD ISE C6H10O6 non-polymer 0.00 0.00 ISE ISF C14H11I1O3S1 non-polymer 0.46 0.42 ISF ISH C17H27N5O1 non-polymer 0.20 0.13 ISH ISI C17H27N5O1 non-polymer 0.20 0.13 ISI ISJ C10H10O6 non-polymer 0.95 0.38 ISJ ISL C12H22O11 saccharide 1.00 1.00 ISL ISM C10H11N1O4 non-polymer 0.56 0.40 ISM ISN C8H5N1O2 non-polymer 0.00 0.00 ISN ISO C9H13N1 non-polymer 0.00 0.00 ISO ISP C3H9O4P1 non-polymer 0.58 0.50 ISP ISQ C9H7N1 non-polymer 0.00 0.00 ISQ ISS C7H11N1O3 non-polymer 0.55 1.00 ISS IST C8H17N1O3 non-polymer 0.00 0.00 IST ISU C3H8N2Se1 non-polymer 0.00 0.00 ISU ISW C34Fe1H34N4O4 non-polymer 0.38 0.09 ISW ISX C12H23N1O8 non-polymer 1.00 1.00 ISX ISY C5H12O6P2S1 non-polymer 0.38 0.21 ISY ISZ C6H5N3O1 non-polymer 0.00 0.00 ISZ IT1 C14H22N3O7P1 L-peptide linking 0.00 0.00 IT1 IT2 C5H9N1O1S2 non-polymer 0.00 0.00 IT2 IT5 C13H14N2S2 non-polymer 0.00 0.00 IT5 IT9 C10H14O1 non-polymer 0.38 0.27 IT9 ITA C16H11N1O9S1 non-polymer 0.79 0.26 ITA ITB C14H9N1O7S1 non-polymer 0.00 0.00 ITB ITC C22Cl1H23N2O8 non-polymer 0.20 0.09 ITC ITD C21H34N4S2 non-polymer 0.00 0.00 ITD ITE C10H9N5O1 non-polymer 0.00 0.00 ITE ITI C33H29N7O2S1 non-polymer 0.00 0.00 ITI ITL C41H66N4O13 non-polymer 0.87 0.50 ITL ITM C6H7Mg1O7 non-polymer 0.81 0.93 ITM ITN C5H6O4 non-polymer 0.93 1.00 ITN ITP C6H14O12P2 non-polymer 1.00 0.60 ITP ITQ C28H28N4O3 non-polymer 0.00 0.00 ITQ ITR C11H10N2O2 non-polymer 0.93 0.27 ITR ITS C6H16O18P4 non-polymer 1.00 0.43 ITS ITT C10H15N4O14P3 non-polymer 1.00 0.32 ITT ITU C3H8N2S1 non-polymer 0.00 0.00 ITU ITW C12H11N1O2 non-polymer 0.93 0.47 ITW IU C9H12I1N2O9P1 RNA linking 1.00 0.45 IU IU1 C18F1H21N2O1 non-polymer 0.00 0.00 IU1 IU5 C24H40O4 non-polymer 0.00 0.00 IU5 IU6 C26H44O4 non-polymer 0.00 0.00 IU6 IUG C22H30N3O19P2 non-polymer 1.00 0.48 IUG IUL C21F3H16N5O2 non-polymer 0.00 0.00 IUL IUM O2U1 non-polymer 0.00 0.00 IUM IUP C5H4N4O5 non-polymer 1.00 0.71 IUP IUR C4H3I1N2O2 non-polymer 0.00 0.00 IUR IUU C9Cl1F1H7N5O2 non-polymer 0.00 0.00 IUU IUY C24F3H20N4O2 non-polymer 0.75 0.15 IUY IV2 C8Cl1H7N2S1 non-polymer 0.00 0.00 IV2 IV7 C21F1H22N5O2 non-polymer 0.00 0.00 IV7 IVA C5H10O2 non-polymer 0.00 0.00 IVA IVC C26H44N7O17P3S1 non-polymer 1.00 0.43 IVC IVF C16H22I1N3O3 peptide-like 0.00 0.00 IVF IVH C14H21N5O4S1 non-polymer 1.00 0.42 IVH IVK C25Cl1F4H21N4O3 non-polymer 0.00 0.00 IVK IVL C9H18N1O2 non-polymer 0.00 0.00 IVL IVM C48H74O14 non-polymer 1.00 0.31 IVM IVS C25H47N3O6 non-polymer 0.60 0.21 IVS IVU C24H27N5 non-polymer 0.00 0.00 IVU IVV C24H46N3O7P1 peptide-like 0.69 0.17 IVV IW1 Br2C14Cl2H8O1 non-polymer 0.20 0.26 IW1 IW2 Br2C14Cl2H10O1 non-polymer 0.00 0.00 IW2 IW3 Br2C14H11N1O1 non-polymer 0.25 0.11 IW3 IW4 Br2C14H12N2 non-polymer 0.20 0.28 IW4 IW5 Br2C14H12N2 non-polymer 0.20 0.28 IW5 IW6 Br2C16H15N1O2 non-polymer 0.20 0.24 IW6 IW7 C12H18N2O6S2 non-polymer 0.00 0.00 IW7 IW8 Br1C25H28N3O4S1 non-polymer 0.00 0.00 IW8 IWD C7H8I1N3O4 non-polymer 0.00 0.00 IWD IWH C15H16N2O2 non-polymer 0.00 0.00 IWH IWR C25H19N3O3 non-polymer 0.00 0.00 IWR IWT C8H6N2O1S1 non-polymer 0.00 0.00 IWT IWW B2C14Cl2H12O4 non-polymer 0.25 0.09 IWW IWX C18F1H19N2O2 non-polymer 0.00 0.00 IWX IX1 C22H19N1O8 non-polymer 0.97 0.26 IX1 IX6 C30F1H32N3O6S1 non-polymer 0.56 0.12 IX6 IXA C24H28N6O4 non-polymer 0.00 0.00 IXA IXD C6H8O9S1 non-polymer 1.00 0.75 IXD IXE C14F3H11N6 non-polymer 0.00 0.00 IXE IXF C17H20N6 non-polymer 0.00 0.00 IXF IXG C14H14N6 non-polymer 0.00 0.00 IXG IXH C29H31N7O2 non-polymer 0.00 0.00 IXH IXM C16H11N3O2 non-polymer 0.00 0.00 IXM IXN C31H43N9O8S1 non-polymer 1.00 0.29 IXN IXO C10H17N2O2 non-polymer 0.50 0.64 IXO IXP C49Cl1H50N3O13 non-polymer 0.00 0.00 IXP IXS C34F1H44N5O5S1 non-polymer 0.34 0.46 IXS IXV C27H25N3O2S1 non-polymer 0.00 0.00 IXV IXW C6H10O3 non-polymer 0.60 0.78 IXW IXX C19H24N2 non-polymer 0.20 0.14 IXX IXY C28H30N4O2S1 non-polymer 0.00 0.00 IXY IXZ C27H25N3O2S1 non-polymer 0.00 0.00 IXZ IY5 C15F3H9N2O2 non-polymer 0.00 0.00 IY5 IY7 C27H32N2O7 non-polymer 0.00 0.00 IY7 IYG C13H14I2N2O5 non-polymer 0.47 0.64 IYG IYP C6H11N2O6P1 non-polymer 1.00 0.60 IYP IYR C9H10I1N1O3 L-peptide linking 0.00 0.00 IYR IYT C15H18I2N2O6 D-peptide linking 0.72 0.68 IYT IYX C17H18N2O2S1 non-polymer 0.00 0.00 IYX IYZ C18H18N4O1 non-polymer 0.62 0.13 IYZ IZ1 C27F3H23N4O5S2 non-polymer 0.00 0.00 IZ1 IZ2 C28F3H25N4O5S2 non-polymer 0.00 0.00 IZ2 IZ3 C27F2H22N4O5S2 non-polymer 0.00 0.00 IZ3 IZ4 C28F1H29N4O5S2 non-polymer 0.00 0.00 IZ4 IZ5 C29F1H29N4O5S2 non-polymer 0.00 0.00 IZ5 IZ9 C16H14N6 non-polymer 0.20 0.23 IZ9 IZA C18F1H16N3O1 non-polymer 0.38 0.09 IZA IZB C27H27N5O6S2 non-polymer 0.00 0.00 IZB IZC C5H6N2O2 non-polymer 0.00 0.00 IZC IZD C23H26N4O6S1 non-polymer 0.00 0.00 IZD IZE C21F6H16N4O4S1 non-polymer 0.00 0.00 IZE IZF C31Cl1H34N3O10S2 non-polymer 0.97 0.09 IZF IZG C17F2H15I1N4O4 non-polymer 1.00 0.43 IZG IZN C16H21N1O3 non-polymer 0.00 0.00 IZN IZO C6H9N1O2 L-peptide linking 0.00 0.00 IZO IZP C13H18O2 non-polymer 0.46 0.53 IZP IZX C24H20N4O2S1 non-polymer 0.00 0.00 IZX IZZ C17H21N5O1 non-polymer 0.50 0.30 IZZ J01 C8H9N1O5 non-polymer 0.75 0.21 J01 J04 C20H23N2O7S1 non-polymer 0.00 0.00 J04 J07 C20Cl1H23N6O1 non-polymer 0.00 0.00 J07 J08 C23H22N6O1 non-polymer 0.00 0.00 J08 J0A C19H22N2O7S2 non-polymer 0.00 0.00 J0A J0B C13H17I1N6O1 non-polymer 0.00 0.00 J0B J0D C19H17N2S1 non-polymer 0.00 0.00 J0D J0E C19H22N6O2 non-polymer 0.00 0.00 J0E J0G C23H26N4O2 non-polymer 0.31 0.28 J0G J0J C18H31N5O9 non-polymer 0.64 0.56 J0J J0K C24Cl1H29Ir1N3O4S1 non-polymer 0.00 0.00 J0K J0M C6H12O7 non-polymer 0.99 1.00 J0M J0N C24Cl1H29Ir1N3O3S1 non-polymer 0.00 0.00 J0N J0P C21H18N2O3 non-polymer 0.00 0.00 J0P J0S C28H37N3O8S1 non-polymer 0.00 0.00 J0S J0T C25F2H26N6O5S1 non-polymer 1.00 0.28 J0T J0W C23H27N1O3 non-polymer 0.58 0.19 J0W J0Y C17F7H11N2O3 non-polymer 0.00 0.00 J0Y J0Z C9H10O2 non-polymer 0.46 0.73 J0Z J11 C21F1H30N5 non-polymer 0.00 0.00 J11 J12 C29H43N5O8S1 non-polymer 1.00 0.28 J12 J13 C15H26N4O7 non-polymer 1.00 0.54 J13 J14 C21F1H30N5 non-polymer 0.00 0.00 J14 J15 C23H37N5O9 non-polymer 1.00 0.32 J15 J18 C30F3H33N2O3S1 non-polymer 0.00 0.00 J18 J19 C17Cl1H13N2O3S1 non-polymer 0.00 0.00 J19 J1A C24H32N12O4S1 non-polymer 1.00 0.22 J1A J1B C26H38N12O4S1 non-polymer 1.00 0.21 J1B J1C C26H36N12O5S1 non-polymer 1.00 0.20 J1C J1D C23H30N12O8S1 non-polymer 1.00 0.20 J1D J1E C25F2H26N6O5S1 non-polymer 1.00 0.28 J1E J1F C24H32N13O10P1 non-polymer 1.00 0.21 J1F J1G C20F3H19N2O3 non-polymer 0.00 0.00 J1G J1H C44Cl1H48N6O7S2 non-polymer 0.71 0.10 J1H J1I C24H35N12O8P1S1 non-polymer 1.00 0.20 J1I J1J C25H30N6O4 non-polymer 0.00 0.00 J1J J1K C10H11N1O4 non-polymer 0.64 0.40 J1K J1M C24H26N2O6S1 non-polymer 0.46 0.27 J1M J1N C17H17N3O3S1 non-polymer 0.84 0.29 J1N J1Q C30H39N5O2 non-polymer 0.00 0.00 J1Q J1R C33Co1H37N4O4 non-polymer 0.00 0.00 J1R J1S C33Co1H37N4O4 non-polymer 0.00 0.00 J1S J1T C48F3H51N4O9S3 non-polymer 0.00 0.00 J1T J1V C21F3H21N2O3 non-polymer 0.00 0.00 J1V J1Z C6H4S2 non-polymer 0.00 0.00 J1Z J20 C36H26O5 non-polymer 0.00 0.05 J20 J21 Br1C23H31N4O10 non-polymer 0.68 0.68 J21 J22 C27H34N4O3S1 non-polymer 0.00 0.00 J22 J24 C22H23N1O5 non-polymer 0.75 0.18 J24 J25 C19H22N2O5S2 non-polymer 0.75 0.18 J25 J27 C14Cl1F1H14N1 non-polymer 0.00 0.00 J27 J28 C15H17N3O4S1 non-polymer 0.00 0.00 J28 J2A C20H24N10O11P2S2 non-polymer 1.00 0.22 J2A J2B C20H28N10O12P2S2 non-polymer 1.00 0.43 J2B J2D C20F3H19N2O4 non-polymer 0.00 0.00 J2D J2I C23F2H24N8O2 non-polymer 0.00 0.00 J2I J2J C17H18N5O10P1 non-polymer 1.00 0.42 J2J J2M C19F1H16N5O2 non-polymer 0.00 0.00 J2M J2N C13H16N4O2 non-polymer 0.00 0.00 J2N J2P C15Cl1H17N1 non-polymer 0.00 0.00 J2P J2Q C16H17N3O3 non-polymer 0.00 0.00 J2Q J2T C13H12N6 non-polymer 0.00 0.00 J2T J2V C20H17N5O2 non-polymer 0.00 0.00 J2V J2W C15H15N3O3 non-polymer 0.00 0.00 J2W J2Y C20H17N5O2 non-polymer 0.00 0.00 J2Y J2Z C18H22O3 non-polymer 0.00 0.00 J2Z J30 C19H24N2O1S1 non-polymer 0.00 0.00 J30 J31 C58H97N7O24S1 non-polymer 0.88 0.71 J31 J34 C58H98N8O24S1 non-polymer 0.88 0.70 J34 J35 C22F3H24N1O4 non-polymer 0.00 0.00 J35 J37 Br1C57H95N6O22S1 non-polymer 0.88 0.68 J37 J38 C10H10N2O3S1 non-polymer 0.00 0.00 J38 J3A C21H25N7 non-polymer 0.25 0.07 J3A J3B C13H16N4O2 non-polymer 0.00 0.00 J3B J3D C4H7N1O4S1 L-peptide linking 0.00 0.00 J3D J3E C27H25N3O3 non-polymer 0.00 0.00 J3E J3G C11H20O5 non-polymer 1.00 0.88 J3G J3H C13H18N6O1 non-polymer 0.00 0.00 J3H J3I C21H32N6O2 non-polymer 0.00 0.00 J3I J3J C7H14O4 non-polymer 0.98 0.91 J3J J3M C30H29N1O4 non-polymer 0.56 0.14 J3M J3N C20H22N8O1 non-polymer 0.00 0.00 J3N J3P C34H33N3O4 non-polymer 0.56 0.12 J3P J3Q C21F3H20N3O4S1 non-polymer 1.00 0.34 J3Q J3V C14F3H11N4O6S1 non-polymer 0.00 0.00 J3V J3W C40H53N5O6S1 non-polymer 0.38 0.04 J3W J3Y C23F1H24N7O2 non-polymer 0.00 0.00 J3Y J3Z C18H22O2 non-polymer 0.00 0.00 J3Z J42 Br1C58H97N8O24S1 non-polymer 0.88 0.70 J42 J43 C12Cl1H11N4O3S2 non-polymer 1.00 0.41 J43 J45 C10Cl1H8N5O4S1 non-polymer 0.00 0.00 J45 J47 Br1C13Cl1H7N1O2 non-polymer 0.00 0.00 J47 J4D C13F5H6N4O8S1 non-polymer 0.00 0.00 J4D J4E C21F1H22N3O4S1 non-polymer 1.00 0.37 J4E J4G C15H22N7O9P1 non-polymer 1.00 0.31 J4G J4J C8H9N3O3S1 non-polymer 0.00 0.00 J4J J4K C8Cl1H7N4O1 non-polymer 0.00 0.00 J4K J4M C18F2H16N6 non-polymer 0.00 0.00 J4M J4N C21F2H21N3O4S1 non-polymer 1.00 0.35 J4N J4P C21F3H21N2O3 non-polymer 0.00 0.00 J4P J4Q C8H9N3O2S2 non-polymer 0.00 0.00 J4Q J4S C19F3H17N2O3 non-polymer 0.00 0.00 J4S J4V C25F3H25N2O3 non-polymer 0.00 0.00 J4V J4W B1C12H16N1O4 non-polymer 0.56 0.28 J4W J4X C22H18N6O1 non-polymer 0.00 0.00 J4X J4Z C20H15N5 non-polymer 0.00 0.00 J4Z J53 C33H43N1O4 non-polymer 0.00 0.00 J53 J54 C11H14N2O4 non-polymer 0.00 0.00 J54 J55 Br1C18H16N7O3S1 non-polymer 0.00 0.00 J55 J56 Br1C18H16N5O2S1 non-polymer 0.00 0.00 J56 J57 C18H18O3 non-polymer 0.58 0.24 J57 J5B C10H20O7 D-saccharide 1.00 1.00 J5B J5E C21F2H21N3O4S1 non-polymer 1.00 0.35 J5E J5H C32H42N7O17P3S1 non-polymer 1.00 0.38 J5H J5I C10H9N1O1 non-polymer 0.00 0.00 J5I J5L C32H43N5O10S1 non-polymer 1.00 0.31 J5L J5Q C21F1H22N3O4S1 non-polymer 1.00 0.37 J5Q J5W C21F1H22N3O4S1 non-polymer 1.00 0.37 J5W J5Y C34Cl1F1H32N6O2 non-polymer 0.00 0.00 J5Y J5Z C13F3H10N5 non-polymer 0.00 0.00 J5Z J60 C22Cl1H27N4O2 non-polymer 0.46 0.34 J60 J62 C22F1H24N3O4S1 non-polymer 1.00 0.35 J62 J63 C22H30N2O4 non-polymer 0.00 0.00 J63 J67 C25F1H19N2O4 non-polymer 0.20 0.16 J67 J6A C22F3H23N2O3 non-polymer 0.00 0.00 J6A J6D C33F1H30N5O5S1 non-polymer 0.50 0.09 J6D J6E C21F1H23N6O2 non-polymer 0.00 0.00 J6E J6H C14Cl1H12N1O3 non-polymer 0.00 0.00 J6H J6J C33F2H29N5O4 non-polymer 0.50 0.09 J6J J6K C26H28N4O5S1 non-polymer 0.00 0.00 J6K J6N C16Cl1H14N3O2 non-polymer 0.00 0.00 J6N J6P C21Cl2H23N3O1 non-polymer 0.00 0.00 J6P J6Q C17Cl1H16N3O2 non-polymer 0.00 0.00 J6Q J6S C12H9N1O5 non-polymer 0.56 0.39 J6S J6T C23H23N1O4 non-polymer 0.00 0.00 J6T J6V C14F1H13N4O6S1 non-polymer 0.00 0.00 J6V J6W C10H10O1S1 non-polymer 0.00 0.00 J6W J6Z C4H9O3S1 non-polymer 0.00 0.00 J6Z J71 C12H13N5O5S1 non-polymer 1.00 0.39 J71 J72 C17F2H12N2O4 non-polymer 0.00 0.00 J72 J73 C17H23N3O7 non-polymer 1.00 0.44 J73 J74 C12Cl1H12N5O4S1 non-polymer 0.00 0.00 J74 J75 C18H18N6O4S1 non-polymer 1.00 0.31 J75 J76 C33H56N2O10 non-polymer 1.00 0.47 J76 J77 C21H27N3O3 non-polymer 0.75 0.19 J77 J78 C22H29N3O3 non-polymer 0.75 0.18 J78 J7B C22H20N2O3 non-polymer 0.00 0.00 J7B J7C C12H18N8O3 non-polymer 1.00 0.43 J7C J7G C20Cl1H13N4O3 non-polymer 0.00 0.07 J7G J7J Br1C18Cl1H13N5O2S1 non-polymer 0.00 0.07 J7J J7N H5O5 non-polymer 0.00 0.00 J7N J7Q H8O26 non-polymer 0.00 0.00 J7Q J7S C16Cl1H12N5O2 non-polymer 0.00 0.00 J7S J7T H9O31 non-polymer 0.00 0.00 J7T J7V C24H29N7O12P2 non-polymer 1.00 0.22 J7V J7Z C53H80O15 non-polymer 1.00 1.00 J7Z J80 C23H31N3O3 non-polymer 0.75 0.17 J80 J81 C31H60N2O10 non-polymer 1.00 0.49 J81 J82 C19H22N4O3 non-polymer 0.00 0.00 J82 J84 C10Cl2H7N7 non-polymer 0.00 0.00 J84 J85 H8O11 non-polymer 0.00 0.00 J85 J87 C20H20N4O3S1 non-polymer 0.00 0.00 J87 J88 C23F1H17N2O4 non-polymer 0.00 0.00 J88 J8A C29F3H27N6O2S1 non-polymer 0.00 0.00 J8A J8B H8O26 non-polymer 0.00 0.00 J8B J8D C16H12O6 non-polymer 0.00 0.00 J8D J8E H6O10 non-polymer 0.00 0.00 J8E J8G C16H12O7 non-polymer 0.00 0.00 J8G J8H C27H28N4O6S1 non-polymer 0.00 0.00 J8H J8S C21H25N1O2S1 non-polymer 0.00 0.00 J8S J8V C20F3H13N2O5 non-polymer 1.00 0.40 J8V J8Y C14F3H9N6O2 non-polymer 0.00 0.00 J8Y J8Z C19H18N1O5P1S1 non-polymer 0.41 0.30 J8Z J90 C11H11N5O5S1 non-polymer 1.00 0.41 J90 J91 C20F4H12N2O5 non-polymer 0.00 0.00 J91 J94 C21H20N1O6 non-polymer 0.00 0.00 J94 J96 C59H99N7O24S1 non-polymer 0.88 0.70 J96 J97 C20Cl2F3H11N2O4S1 non-polymer 1.00 0.34 J97 J99 C23F1H24N5O2 non-polymer 0.00 0.00 J99 J9A C8H15N3O5 L-peptide linking 0.53 1.00 J9A J9D C16H15N7O1 non-polymer 1.00 0.38 J9D J9E C20F2H24N2O1 non-polymer 0.00 0.00 J9E J9G C19F2H14N4O1 non-polymer 0.00 0.00 J9G J9H C17H18N3Pt1 non-polymer 0.00 0.00 J9H J9K C23H31N3O3S1 non-polymer 0.56 0.17 J9K J9P C21H36O5 non-polymer 0.25 0.27 J9P J9S C25H23N3O7S2 non-polymer 0.00 0.00 J9S J9V C25H23N3O7S2 non-polymer 0.00 0.00 J9V J9Y C7H16N4O3 L-peptide linking 0.39 0.71 J9Y J9Z C18H16N1O5P1S1 non-polymer 0.41 0.31 J9Z JA1 C18H21N1O4 non-polymer 0.00 0.00 JA1 JA2 C12H17N3 non-polymer 0.00 0.00 JA2 JA3 C13F2H11N1O2 non-polymer 0.00 0.00 JA3 JA4 C25Cl1H22N3O7S2 non-polymer 0.00 0.00 JA4 JA7 C29H29N3O9S2 non-polymer 0.00 0.00 JA7 JAA C12H18O3 non-polymer 0.42 0.40 JAA JAC C18F3H18N3O2 non-polymer 0.00 0.00 JAC JAD C15Cl1H16N3O2 non-polymer 0.00 0.00 JAD JAF C15H17N1O4S1 non-polymer 0.00 0.00 JAF JAI C18H29N1O4 non-polymer 0.58 0.65 JAI JAJ C28H27N3O9S2 non-polymer 0.81 0.17 JAJ JAK C14H17N5 non-polymer 0.00 0.00 JAK JAN C27Cl2H22N4O1 non-polymer 0.00 0.00 JAN JAO C18H38O1 non-polymer 0.55 0.32 JAO JAR C20H25N5O1 non-polymer 0.36 0.15 JAR JAS C44H64N4O13 non-polymer 0.40 0.10 JAS JAY C35F2H33N5O2 non-polymer 0.00 0.00 JAY JAZ C7H15O9P1 non-polymer 1.00 0.76 JAZ JB1 C28H46O3 non-polymer 0.25 0.06 JB1 JB2 C16H26N6O14P2 non-polymer 1.00 0.55 JB2 JB3 C18H28N6O15P2 non-polymer 1.00 0.59 JB3 JB6 C24H34N10O13P2S2 non-polymer 1.00 0.57 JB6 JB7 Br1C21H28N3O8 non-polymer 0.68 0.58 JB7 JB9 C31H45N7O11 non-polymer 1.00 0.59 JB9 JBA C19H22N2O6S1 non-polymer 0.42 0.32 JBA JBI C23F1H23N6O1 non-polymer 0.00 0.00 JBI JBJ C29F1H26N5O3S1 non-polymer 0.00 0.00 JBJ JBS C30H32N6O3 non-polymer 0.50 0.15 JBS JBT C39H64N13O30P5S1 non-polymer 1.00 0.50 JBT JBW C17H14N4O1S1 non-polymer 0.00 0.00 JBW JBY C14H15N3O4 L-peptide linking 0.64 0.29 JBY JC1 C28H46O3 non-polymer 0.25 0.06 JC1 JC2 C19H31N4O7P1 non-polymer 0.42 0.74 JC2 JC4 C19H19N1O10 non-polymer 1.00 0.40 JC4 JC5 C20H27N3O2 non-polymer 0.00 0.00 JC5 JC7 C22F3H25N2O8S1 non-polymer 1.00 0.42 JC7 JCB C15H13N1O2S1 non-polymer 0.00 0.00 JCB JCD C21H22N2O10 non-polymer 1.00 0.45 JCD JCF C11H10N2O2 non-polymer 0.00 0.00 JCF JCG C24F1H25N2O6S1 non-polymer 0.46 0.26 JCG JCH C19H18N4O1 non-polymer 0.00 0.00 JCH JCL C8Cl1H12N2O6P1 non-polymer 0.00 0.00 JCL JCQ C12H12N2O3 non-polymer 0.40 0.41 JCQ JCT C29H28N5O5Ru1S1 non-polymer 0.00 0.00 JCT JCY C25F1H30N5O1 non-polymer 0.20 0.09 JCY JD1 C15H20N2O7P2 non-polymer 0.58 0.15 JD1 JD5 C15H18N2O7P2 non-polymer 0.00 0.00 JD5 JD7 C14H13N3 non-polymer 0.00 0.00 JD7 JD8 C19H22N6 non-polymer 0.00 0.00 JD8 JDB C18H16N2O5 non-polymer 1.00 0.52 JDB JDC C28H39N3O3 non-polymer 0.00 0.00 JDC JDD C24H28N6O2 non-polymer 0.00 0.00 JDD JDE C17H15N3O3 non-polymer 0.40 0.30 JDE JDG C31H49N5O2 non-polymer 0.36 0.11 JDG JDJ C30H54O9 non-polymer 0.88 0.82 JDJ JDK C24H27N5 non-polymer 0.00 0.00 JDK JDM C14H14N2O5 non-polymer 1.00 0.62 JDM JDN B1C8H8N1O2 non-polymer 0.00 0.00 JDN JDP C24H23N5O2 non-polymer 0.00 0.00 JDP JDQ C18H16N4 non-polymer 0.00 0.00 JDQ JDR C13Cl1H13N4O3S2 non-polymer 1.00 0.39 JDR JDS C23Cl1H25N4O2 non-polymer 0.00 0.00 JDS JDT C11H17N2O8P1 DNA linking 1.00 0.41 JDT JDV C33F1H41N4O7S2 non-polymer 0.00 0.00 JDV JDX C26H28N2O5 non-polymer 0.00 0.00 JDX JDY C33F1H41N4O7S2 non-polymer 0.00 0.00 JDY JE1 C17F3H20N5O1S1 non-polymer 1.00 0.30 JE1 JE2 C32H37N3O5S1 peptide-like 0.39 0.27 JE2 JE4 C18Cl2H20N6O1 non-polymer 0.00 0.00 JE4 JE7 C12Cl2H8N4S1 non-polymer 0.00 0.00 JE7 JE8 C19H22N6 non-polymer 0.00 0.00 JE8 JEA C23Cl1H29N8O2 non-polymer 0.00 0.00 JEA JEB C18H14N6 non-polymer 0.00 0.00 JEB JED Br1C20H14N3O2 non-polymer 0.00 0.00 JED JEE C24H24N6O1 non-polymer 0.00 0.00 JEE JEF C30H63N1O10 non-polymer 0.83 1.00 JEF JEG C6H9N1O4 non-polymer 0.00 0.00 JEG JEH C27H31N7 non-polymer 0.36 0.12 JEH JEJ C22Cl1H20N3O2 non-polymer 0.20 0.11 JEJ JEK C25H26N6 non-polymer 0.00 0.00 JEK JEN C16H20N4O1 non-polymer 0.00 0.00 JEN JET C14H14N2O5 non-polymer 0.98 0.62 JET JEV C16H21N1O2 non-polymer 0.00 0.00 JEV JEW C19H15N5 non-polymer 0.00 0.00 JEW JEY C19H20N2O2 non-polymer 0.00 0.00 JEY JF0 C26H29N3O2 non-polymer 0.00 0.00 JF0 JF1 C14H26N1 non-polymer 0.38 0.20 JF1 JF2 C14H26N1 non-polymer 0.38 0.20 JF2 JF4 C14H26N1 non-polymer 0.38 0.20 JF4 JF5 C11H10N2O2 non-polymer 0.40 0.47 JF5 JF6 C8H7N3O1 non-polymer 0.00 0.00 JF6 JF8 C12H9N5 non-polymer 0.00 0.00 JF8 JFA C18Cl2H14N4O1 non-polymer 0.00 0.00 JFA JFB C18H14N6 non-polymer 0.00 0.00 JFB JFD Br1C4H4N3O2 non-polymer 1.00 0.80 JFD JFE C19H18N4O1 non-polymer 0.00 0.00 JFE JFJ C8Cl1H10N1 non-polymer 0.00 0.00 JFJ JFK C25H29N3O7S2 non-polymer 0.00 0.00 JFK JFM C9H13N1O2S1 non-polymer 0.00 0.00 JFM JFN C4H11N1O1 non-polymer 0.57 0.83 JFN JFP C7H10N2O1S1 non-polymer 0.00 0.00 JFP JFQ C9H21N3 non-polymer 0.00 0.00 JFQ JFS C14H12N2O1 non-polymer 0.00 0.00 JFS JFT C18Cl1H13N6 non-polymer 0.00 0.00 JFT JFV C14H13N1O3 non-polymer 0.97 0.22 JFV JFY C11H17N1O2S1 non-polymer 0.00 0.00 JFY JFZ C12H15N1O7 non-polymer 1.00 0.55 JFZ JG1 C20H21N3O2 non-polymer 0.00 0.00 JG1 JG2 C20H23N3O3 non-polymer 0.00 0.00 JG2 JG3 C15H22N2O3 peptide-like 0.00 0.00 JG3 JG4 C7H6N2S1 non-polymer 0.00 0.00 JG4 JG7 C26Cl1F3H33N5O4S1 non-polymer 0.00 0.00 JG7 JG8 C10H6N2O2 non-polymer 0.00 0.00 JG8 JGA C7H11N3O2 non-polymer 0.00 0.00 JGA JGB C10H8N2O3 non-polymer 0.20 0.27 JGB JGD C7H10N2 non-polymer 0.20 0.33 JGD JGE C16H14O3 non-polymer 0.46 0.42 JGE JGG C13H15N3O2 non-polymer 0.00 0.00 JGG JGJ C11H15N1O2 non-polymer 0.64 0.43 JGJ JGM C11H15N3O3 non-polymer 0.00 0.00 JGM JGN C18H26N2O2 non-polymer 0.00 0.00 JGN JGP C14H17N1O3 non-polymer 0.00 0.00 JGP JGQ C25H30N2O4 non-polymer 0.00 0.00 JGQ JGS C11H8N2O4 non-polymer 0.00 0.00 JGS JGT Br1C14H14N3 non-polymer 0.00 0.00 JGT JGV C11H13N3O2S1 non-polymer 0.00 0.00 JGV JGY C10H15N3O2 non-polymer 0.00 0.00 JGY JGZ C24H26N6O3S1 non-polymer 0.00 0.00 JGZ JH0 C58H85N5O10Si1 non-polymer 0.47 0.30 JH0 JH1 C13F1H14N3O1 non-polymer 0.00 0.00 JH1 JH2 C17H28O3 non-polymer 0.97 0.60 JH2 JH3 C16H26O3 non-polymer 0.97 0.63 JH3 JH4 C5H7N3 non-polymer 0.00 0.00 JH4 JH5 C16H17N4 non-polymer 0.00 0.00 JH5 JH7 C10H11N3O1 non-polymer 0.00 0.00 JH7 JHA C12Cl1H17N2 non-polymer 0.00 0.00 JHA JHD C9H13N1O2 non-polymer 0.00 0.00 JHD JHG C28F3H31N4O3S1 non-polymer 0.00 0.00 JHG JHH C24H34O5 non-polymer 0.00 0.00 JHH JHJ C13H13N3O2 non-polymer 0.00 0.00 JHJ JHM C6H12O8S1 non-polymer 1.00 0.73 JHM JHN C24H28N6O3 non-polymer 0.00 0.00 JHN JHP C10Cl1H14N3O1 non-polymer 0.00 0.00 JHP JHS C14H19N1O2 non-polymer 0.00 0.00 JHS JHT C19H22N4 non-polymer 0.20 0.13 JHT JHV C11Cl1H10N3 non-polymer 0.00 0.00 JHV JHY C10Cl2H7N1O4 non-polymer 0.00 0.00 JHY JHZ C17H27N3O13P2 non-polymer 1.00 0.80 JHZ JI1 C13H22N4O1 non-polymer 0.00 0.00 JI1 JI2 C12H21N5 non-polymer 0.00 0.00 JI2 JI3 C20Cl1H28N5 non-polymer 0.00 0.00 JI3 JI4 C21F1H30N5 non-polymer 0.00 0.00 JI4 JI5 C21F1H30N5 non-polymer 0.00 0.00 JI5 JI7 C20Cl1H28N5 non-polymer 0.00 0.00 JI7 JIA C19H39N5O9 non-polymer 1.00 0.97 JIA JIF C6F3H3O1 non-polymer 0.00 0.00 JIF JIL C22H28N8O5S1 non-polymer 1.00 0.25 JIL JIM C5H10O4 non-polymer 0.98 1.00 JIM JIN C21Cl2F1H15N4O1 non-polymer 0.00 0.00 JIN JJ1 C27H52N4O5 non-polymer 0.00 0.00 JJ1 JJ3 C20H22O4 non-polymer 0.40 0.25 JJ3 JJ4 C12H18N2O1S1 non-polymer 0.00 0.00 JJ4 JJ7 C10H20N2O2 non-polymer 0.50 0.36 JJ7 JJA C28H26N4O5S1 non-polymer 0.58 0.11 JJA JJB C29H28N4O5S1 non-polymer 0.58 0.10 JJB JJD C23F3H18N3O4 non-polymer 0.62 0.09 JJD JJE C21Cl1F5H18N4O4 non-polymer 0.50 0.11 JJE JJG C12H17N1O1S1 non-polymer 0.00 0.00 JJG JJH C29F2H29N3O8 non-polymer 0.00 0.00 JJH JJJ C9H10N2O3S1 L-peptide linking 0.56 0.60 JJJ JJK C9H12N2O3S1 L-peptide linking 0.47 0.80 JJK JJL C10H14N2O4S1 L-peptide linking 0.47 0.71 JJL JJM C13H13N5 non-polymer 0.00 0.00 JJM JJN C22H25N3O1 non-polymer 0.00 0.00 JJN JJP C15H18N2O1 non-polymer 0.00 0.00 JJP JJQ C14H20N2 non-polymer 0.00 0.00 JJQ JJS C20F3H15N4O2 non-polymer 0.62 0.10 JJS JJT C12H20N4O3 non-polymer 0.00 0.00 JJT JJV C21F3H15N4O3S1 non-polymer 0.00 0.00 JJV JJW C17H24N4O4 non-polymer 0.69 0.24 JJW JJX C29F3H29N6O2 non-polymer 0.36 0.10 JJX JJY C13H13N1O2 non-polymer 0.00 0.00 JJY JJZ C25Cl1H20N3O2 non-polymer 0.00 0.00 JJZ JK1 C26H25N5O5 non-polymer 0.00 0.00 JK1 JK2 C29F1H25N4O4 non-polymer 0.00 0.00 JK2 JK3 Br1C18Cl1H17N3O2 non-polymer 0.00 0.00 JK3 JK4 C21F4H26N4O1 non-polymer 0.44 0.20 JK4 JK5 C21Cl1F3H26N4O1 non-polymer 0.44 0.20 JK5 JK7 C15H17N1O3 non-polymer 0.00 0.00 JK7 JK8 C21Cl1H17N2O2 non-polymer 0.00 0.00 JK8 JKA C9H17N1O4S1 non-polymer 0.00 0.00 JKA JKB C18F1H17N4O5 non-polymer 0.00 0.00 JKB JKE C7H6O2S1 non-polymer 0.00 0.00 JKE JKF C28Cl1F2H22N3O2 non-polymer 0.00 0.00 JKF JKG C12H13N1O1S1 non-polymer 0.00 0.00 JKG JKH C5H11N2O2 L-peptide linking 0.00 0.00 JKH JKJ C10H19N1O4S1 non-polymer 0.44 0.38 JKJ JKK C9Cl1H12N1O3S1 non-polymer 0.00 0.00 JKK JKM C9H11N2O8P1 non-polymer 1.00 0.50 JKM JKN C17F2H14N2O2 non-polymer 0.46 0.30 JKN JKP C6Cl2H3N1O2 non-polymer 0.00 0.00 JKP JKQ C19H18N4O2S1 non-polymer 0.64 0.23 JKQ JKS C10H11N3 non-polymer 0.00 0.00 JKS JKT C28H41N7O5 non-polymer 0.56 0.12 JKT JKV C9Cl1H8N3 non-polymer 0.00 0.00 JKV JKW C21F3H23N4O2S2 non-polymer 0.00 0.00 JKW JKY C8Cl1H10N1O2S1 non-polymer 0.00 0.00 JKY JKZ C9F3H8N1O1 non-polymer 0.00 0.00 JKZ JL1 C13H11N1O2S1 non-polymer 0.00 0.00 JL1 JL2 C24H23N5O3 non-polymer 0.00 0.00 JL2 JL4 C9H7N1O2S2 non-polymer 0.00 0.00 JL4 JL5 C29Cl1H31N4O4S1 non-polymer 0.00 0.00 JL5 JL7 C11F3H6N1O2S1 non-polymer 0.00 0.00 JL7 JL8 C24Cl1H21N2O4S1 non-polymer 0.00 0.00 JL8 JL9 C18H23N5O1 non-polymer 0.00 0.00 JL9 JLA C12H15N1O2 non-polymer 0.00 0.00 JLA JLB C19H17N3O3S1 non-polymer 0.98 0.23 JLB JLD C13F1H18N1O1 non-polymer 0.00 0.00 JLD JLE C25H22N4O2S1 non-polymer 0.00 0.00 JLE JLG C8H5N1O2S2 non-polymer 0.00 0.00 JLG JLH C31Cl1H35N4O4S1 non-polymer 0.00 0.00 JLH JLJ C17H18N4O2 non-polymer 0.62 0.26 JLJ JLK C24H23N3O2S1 non-polymer 0.00 0.00 JLK JLM C10H8O3 non-polymer 0.00 0.00 JLM JLN C10H14N3O10P1 RNA linking 1.00 0.42 JLN JLO C18H21N1O1 non-polymer 0.50 0.25 JLO JLP C14H21N3O4 L-peptide linking 0.00 0.00 JLP JLS C48H93N1O9 non-polymer 1.00 0.47 JLS JLV C8H16N2S1 non-polymer 0.00 0.00 JLV JLW C22H29N5O5S1 non-polymer 0.50 0.24 JLW JLY C14H13N1O1S1 non-polymer 0.00 0.00 JLY JLZ C8F1H9N2 non-polymer 0.00 0.00 JLZ JM1 C23F1H12N3O3Ru1 non-polymer 0.00 0.00 JM1 JM2 C8H17N3O2S1 non-polymer 0.43 0.71 JM2 JM4 C11H23N3O2S1 non-polymer 0.43 0.59 JM4 JM5 C10H21N3O2S1 non-polymer 0.43 0.62 JM5 JM6 C10H21N3O2S1 non-polymer 0.43 0.62 JM6 JM7 C9H19N3O2S1 non-polymer 0.43 0.67 JM7 JM8 C10H21N3O2S1 non-polymer 0.43 0.62 JM8 JMA C11Cl2H12N2O1 non-polymer 0.00 0.00 JMA JMB C16Cl1H19N1 non-polymer 0.00 0.00 JMB JMD C9H9N1O1 non-polymer 0.00 0.00 JMD JMG C11H8O2S1 non-polymer 0.00 0.00 JMG JMH C10H16N3O8P1 RNA linking 1.00 0.45 JMH JMJ C8H7N3O2S2 non-polymer 0.00 0.00 JMJ JMM C13H16N2O3 non-polymer 0.00 0.00 JMM JMP C17H17N1O4 non-polymer 0.58 0.18 JMP JMQ C12H16N4O4 non-polymer 1.00 0.45 JMQ JMS C14Cl2H11N1O2 non-polymer 0.00 0.00 JMS JMV C8Cl1H7O3 non-polymer 0.00 0.00 JMV JMY C13F1H14N1O3 non-polymer 0.00 0.00 JMY JMZ C11H10N6 non-polymer 0.00 0.00 JMZ JN1 C10H10N2O3S1 non-polymer 0.00 0.00 JN1 JN2 C19F1H20N1O6 non-polymer 1.00 0.70 JN2 JN3 C24H40O4 non-polymer 0.00 0.00 JN3 JN4 C21H21N3O4S1 non-polymer 0.93 0.17 JN4 JN5 C20H16N6S1 non-polymer 0.00 0.00 JN5 JN7 C22H24N2O5S2 non-polymer 0.00 0.00 JN7 JN8 C22H27N3O4S2 non-polymer 0.00 0.00 JN8 JNA C11H11N1O2S2 non-polymer 0.00 0.00 JNA JNB C19H21N1O6 non-polymer 1.00 0.73 JNB JND C8H8N2O1S1 non-polymer 0.00 0.00 JND JNF C18H21N5 non-polymer 0.00 0.00 JNF JNG C8Cl1H7O2S1 non-polymer 0.00 0.00 JNG JNH C20H25N3O1 non-polymer 0.00 0.00 JNH JNI C31H30N8 non-polymer 0.00 0.00 JNI JNJ C27F2H22N8O2 non-polymer 0.20 0.08 JNJ JNK C24F1H25N4O2 non-polymer 0.00 0.00 JNK JNM C11H14O3 non-polymer 0.62 0.21 JNM JNO C19H23N7O1 non-polymer 0.00 0.00 JNO JNP C11H12O3 non-polymer 0.00 0.00 JNP JNS C16H12O4 non-polymer 0.25 0.10 JNS JNV C9Cl2H8O1 non-polymer 0.00 0.00 JNV JNW C13H12N2O5 non-polymer 1.00 0.45 JNW JNY C8F3H5N2O1 non-polymer 0.00 0.00 JNY JNZ C7H7N3 non-polymer 0.00 0.00 JNZ JO1 C10H11N3O1S1 non-polymer 0.00 0.00 JO1 JO2 C12H9N3O7 non-polymer 1.00 0.36 JO2 JO3 C5H8O4 non-polymer 0.80 1.00 JO3 JO4 C13H10O3 non-polymer 0.00 0.00 JO4 JO5 C12H9N3O4 non-polymer 1.00 0.42 JO5 JO7 C10H19N1O4S1 non-polymer 0.00 0.00 JO7 JO8 C12H11N3O5 non-polymer 1.00 0.40 JO8 JOA C11H21N1O4S1 non-polymer 0.00 0.00 JOA JOB C12H9N3O4 non-polymer 1.00 0.42 JOB JOD C9H13N1O3 non-polymer 0.00 0.00 JOD JOE C12H9N3O7 non-polymer 1.00 0.36 JOE JOG C15H20N2O3 non-polymer 0.00 0.00 JOG JOH C12H7N3O6 non-polymer 1.00 0.38 JOH JOJ C5Cl2H5N3S1 non-polymer 0.00 0.00 JOJ JOK C13H14N2O3 non-polymer 1.00 0.44 JOK JOM C9F3H6N3S2 non-polymer 0.00 0.00 JOM JON C10H15N3O4 non-polymer 1.00 0.47 JON JOP C11H20N2O1S1 non-polymer 0.50 0.40 JOP JOQ C13H15N3O4 non-polymer 1.00 0.40 JOQ JOS C42H69N1O15 non-polymer 1.00 0.36 JOS JOT C12H12N2O3 non-polymer 1.00 0.47 JOT JOV C11Cl1H14N1O2 non-polymer 0.62 0.53 JOV JOW C17H19N3O7 non-polymer 1.00 0.30 JOW JOY C11H9N3 non-polymer 0.00 0.00 JOY JOZ C9H9N1O1 non-polymer 0.00 0.00 JOZ JP1 C17Cl2H16N2O4 non-polymer 0.00 0.00 JP1 JP2 C7H5N5O3 non-polymer 0.00 0.00 JP2 JP3 C12H10N6O3 non-polymer 0.00 0.00 JP3 JP4 C11H15N1O2 non-polymer 0.00 0.00 JP4 JP5 C12H12N2O4 non-polymer 1.00 0.44 JP5 JP7 C14H16N2O3 non-polymer 0.00 0.00 JP7 JP8 C11H17N3O4 non-polymer 1.00 0.50 JP8 JPA C19Cl2H14O2 non-polymer 0.00 0.00 JPA JPB C11Cl3H7N2O3 non-polymer 1.00 0.42 JPB JPC C21Cl2H17N1O3S1 non-polymer 0.50 0.21 JPC JPD C12H21N1O4 non-polymer 0.00 0.00 JPD JPG C14H12O2 non-polymer 0.62 0.19 JPG JPJ C20Cl2H16O2 non-polymer 0.00 0.00 JPJ JPL C19Cl2H20O2 non-polymer 0.00 0.00 JPL JPM C19Cl2H14O2 non-polymer 0.00 0.00 JPM JPN C21Cl2H18O2 non-polymer 0.00 0.00 JPN JPP C23H29N5O7S1 non-polymer 0.00 0.00 JPP JPQ C9H12N2O3 non-polymer 1.00 1.00 JPQ JPR C18Cl1H24N3O2S1 non-polymer 0.20 0.12 JPR JPS C14H18O5S1 non-polymer 0.00 0.00 JPS JPV C14H16N2O1 non-polymer 0.00 0.00 JPV JPW C13H21N3O4 non-polymer 1.00 0.45 JPW JPY C19H15N1O1 non-polymer 0.00 0.00 JPY JPZ C8H6N2O1 non-polymer 0.00 0.00 JPZ JQ1 C23Cl1H26N4O2S1 non-polymer 0.57 0.29 JQ1 JQ4 C11H21N1O4S1 non-polymer 0.00 0.00 JQ4 JQ5 C6H11O6P1 non-polymer 0.75 0.85 JQ5 JQ7 C10H12N2O4S1 non-polymer 0.00 0.00 JQ7 JQ8 C9H6O2 non-polymer 0.93 0.36 JQ8 JQA C16H20N2O2 non-polymer 0.00 0.00 JQA JQB C18H14N6O1 non-polymer 0.00 0.00 JQB JQD C14H16N2O3 non-polymer 0.00 0.00 JQD JQF C19H19N3O2 non-polymer 0.00 0.00 JQF JQH C30H35N4O9P1 non-polymer 1.00 0.23 JQH JQK C30H39N4O9P1 non-polymer 1.00 0.23 JQK JQN C17H15N1O2S1 non-polymer 0.00 0.00 JQN JQP C26F1H27N6 non-polymer 0.00 0.00 JQP JQQ C30F1H38N4O9P1 non-polymer 1.00 0.22 JQQ JQS C10H15N4O9P1 non-polymer 1.00 0.42 JQS JQT C36Cl1H33N2O7 non-polymer 0.00 0.00 JQT JQV C52H76N4O17S1 non-polymer 0.97 0.35 JQV JQY C26F1H27N6 non-polymer 0.00 0.00 JQY JQZ C31H35N4O11P1 non-polymer 1.00 0.21 JQZ JR2 C10H13N5 non-polymer 0.00 0.00 JR2 JR3 C24Cl1H28Ir1N4O5S1 non-polymer 0.00 0.00 JR3 JR4 C17F1H18N3O3S1 non-polymer 0.00 0.00 JR4 JR5 C18F1H21N4O3S1 non-polymer 0.00 0.00 JR5 JR6 C16H19N3O2S1 non-polymer 0.00 0.00 JR6 JR7 C12Cl1H11N2O1S1 non-polymer 0.00 0.00 JR7 JR8 C25Cl1H31Ir1N3O4S1 non-polymer 0.00 0.00 JR8 JR9 Br1C21H18N5O2 non-polymer 0.00 0.00 JR9 JRA C33H36N4O6 non-polymer 0.38 0.05 JRA JRB C10H15N3 non-polymer 0.00 0.00 JRB JRD C17H17N3O2S1 non-polymer 0.00 0.00 JRD JRG C19H26I1N3O6S1 non-polymer 0.55 0.53 JRG JRH C25H35N4O9P1 non-polymer 1.00 0.26 JRH JRJ Br4C14H15N7 non-polymer 0.00 0.00 JRJ JRK C26H33N4O11P1 non-polymer 1.00 0.24 JRK JRM C15H16N2O3S1 non-polymer 0.64 0.29 JRM JRN C30F5H34N4O9P1 non-polymer 1.00 0.20 JRN JRO C14H10O5 non-polymer 0.00 0.00 JRO JRQ C16H22N2O3 non-polymer 0.60 0.33 JRQ JRR C21F1H29N4O1 non-polymer 0.00 0.00 JRR JRS C21F1H29N4O1 non-polymer 0.00 0.00 JRS JRT C17H17N3O1 non-polymer 0.00 0.00 JRT JRV C13H24O10S1 non-polymer 1.00 0.92 JRV JRW C19H26N2O2 non-polymer 0.00 0.00 JRW JRY C7H15N1O2 non-polymer 0.00 0.00 JRY JRZ C17H27N1O2 non-polymer 0.67 0.50 JRZ JS1 C20H21N1O4 non-polymer 0.75 0.20 JS1 JS2 C14H23N5O12P2 non-polymer 1.00 0.52 JS2 JS3 C15Cl1H11N2O1S1 non-polymer 0.00 0.00 JS3 JS4 C28H57N7O14 non-polymer 1.00 0.86 JS4 JS5 C31H61N7O14 non-polymer 1.00 0.81 JS5 JS6 C33H58N6O14 non-polymer 1.00 0.79 JS6 JS7 C13H15N5O5S1 non-polymer 1.00 0.38 JS7 JSA C22H38N6O7S1 non-polymer 1.00 0.44 JSA JSB C17H22N2O2 non-polymer 0.00 0.00 JSB JSC C22H17N2O6Ru1S1 non-polymer 0.00 0.00 JSC JSD C21H17N2O4Ru1S1 non-polymer 0.00 0.00 JSD JSE C22H17N2O6Ru1S1 non-polymer 0.00 0.00 JSE JSG C131H240N2O63P4 non-polymer 1.00 0.57 JSG JSH C30H37N4O9P1 non-polymer 1.00 0.23 JSH JSJ C19H30N6O10P2S2 non-polymer 1.00 0.26 JSJ JSK C17H25N7O4 non-polymer 0.67 0.25 JSK JSN C14F2H15N3O2 non-polymer 0.20 0.14 JSN JSP C10H16N3O7P1 DNA linking 1.00 0.52 JSP JSQ C10F1H15N5O13P3 non-polymer 1.00 0.31 JSQ JSR C21F1H29N4O1 non-polymer 0.00 0.00 JSR JSS C21F1H29N4O1 non-polymer 0.00 0.00 JSS JST C13Cl1H14N3S1 non-polymer 0.44 0.22 JST JSV C13H24O10S1 saccharide 1.00 0.92 JSV JSW C18F2H21N5O2 non-polymer 0.00 0.00 JSW JSX C13H10O3 non-polymer 0.00 0.00 JSX JSZ C18H25N1O5 non-polymer 0.75 0.58 JSZ JT1 C28F7H23N6O4S2 non-polymer 0.00 0.00 JT1 JT5 C16H18N2O5S1 non-polymer 0.55 0.33 JT5 JT6 C16H14N2O3 non-polymer 0.57 0.29 JT6 JT7 B1C19Cl1H30N2O5 non-polymer 0.00 0.00 JT7 JTA C10H6N2O5 non-polymer 0.00 0.00 JTA JTD C54H105N1O9 non-polymer 1.00 0.33 JTD JTE C17F1H17O2 non-polymer 0.46 0.40 JTE JTF C14H19N3O1 non-polymer 0.20 0.17 JTF JTG C53H103N1O9 non-polymer 1.00 0.38 JTG JTH C10H12O3 non-polymer 0.00 0.00 JTH JTJ C58H107N1O9 non-polymer 1.00 0.31 JTJ JTK C15Cl2F1H11O2 non-polymer 0.46 0.40 JTK JTM C57Cl1H104N1O9 non-polymer 1.00 0.31 JTM JTN C16Cl2F1H11O2 non-polymer 0.00 0.00 JTN JTP C27H30N2O4 non-polymer 0.93 0.27 JTP JTS C15H12N2O1S1 non-polymer 0.00 0.00 JTS JTT C16H14N2O1S1 non-polymer 0.00 0.00 JTT JTU Br1C21H20N1O2 non-polymer 0.00 0.00 JTU JTV C57H105N1O9 non-polymer 1.00 0.31 JTV JTY C10H8N2O4S2 non-polymer 0.00 0.00 JTY JTZ C15H23N1O2 non-polymer 0.58 0.72 JTZ JU1 C61H113N1O9 non-polymer 1.00 0.35 JU1 JU2 Br1C7H4N5O1 non-polymer 0.00 0.00 JU2 JU4 C57Cl2H103N1O9 non-polymer 1.00 0.30 JU4 JU7 C18H34O6 non-polymer 1.00 0.50 JU7 JUD C58F3H104N1O9 non-polymer 1.00 0.30 JUD JUE C24H25N3O4 non-polymer 0.00 0.00 JUE JUG C10H6O3 non-polymer 0.00 0.00 JUG JUH C27F6H24N2O5S1 non-polymer 0.21 0.17 JUH JUJ C18Cl2H16N4O2 non-polymer 0.00 0.00 JUJ JUK C22H22N5O4 non-polymer 0.00 0.00 JUK JUM C16Cl2H14N4O2 non-polymer 0.00 0.00 JUM JUN C21F6H20N2O5S1 non-polymer 0.21 0.20 JUN JUO C11H12N6S1 non-polymer 0.00 0.00 JUO JUP C28F3H27N4O2S1 non-polymer 0.20 0.08 JUP JUQ C24H23N3O4 non-polymer 1.00 0.35 JUQ JUS C19H21N1O2 non-polymer 0.00 0.00 JUS JUV C18H16O6 non-polymer 0.60 0.38 JUV JV0 C25H30N2S2 non-polymer 0.00 0.00 JV0 JV4 C6F1H12O8P1 D-saccharide 1.00 0.69 JV4 JV5 C15H14N4O2 non-polymer 0.00 0.00 JV5 JV8 C18H16N2O2 non-polymer 0.00 0.00 JV8 JVA C7F1H14O7P1 non-polymer 1.00 0.69 JVA JVB C14H14N2O2 non-polymer 0.00 0.00 JVB JVD C12H16N4O1 non-polymer 0.50 0.47 JVD JVE C15F1H13N4O1 non-polymer 0.00 0.00 JVE JVJ C27H28N4O2 non-polymer 0.00 0.00 JVJ JVM C26H28N6O1 non-polymer 0.00 0.00 JVM JVP C22F2H20N6O2 non-polymer 0.00 0.00 JVP JVS C7F1H14O9P1 non-polymer 1.00 0.72 JVS JVT C19H21N5O1 non-polymer 0.00 0.00 JVT JVY C19H21N3O3S1 non-polymer 0.00 0.00 JVY JW1 B1C11H16N1O4 non-polymer 0.56 0.29 JW1 JW3 B1C12H12N1O4 non-polymer 0.00 0.00 JW3 JW4 C25H22N4O1 non-polymer 0.00 0.00 JW4 JW5 C10H15N2O10P1 RNA linking 1.00 0.83 JW5 JW7 C18H20N6O1 non-polymer 0.00 0.00 JW7 JW8 B1C9H12N1O4S1 non-polymer 0.00 0.00 JW8 JWA C19H25N3O4S1 non-polymer 0.00 0.00 JWA JWD C19H17N3O2 non-polymer 0.00 0.00 JWD JWF C23Cl1H23N8O1 non-polymer 0.00 0.00 JWF JWH C15H21N1O3 non-polymer 0.00 0.00 JWH JWM C19H22N2O6S1 non-polymer 0.58 0.57 JWM JWN C28H30N6O2 non-polymer 0.38 0.06 JWN JWP C22H26N2O7S1 non-polymer 0.58 0.44 JWP JWS C10H11N5O2 non-polymer 0.00 0.00 JWS JWT C18F1H17N4O4S1 non-polymer 1.00 0.36 JWT JWV C19H20N2O7S1 non-polymer 0.58 0.52 JWV JWW C16H21N1O2 non-polymer 0.00 0.00 JWW JWY C24Cl1F1H21N5O2 non-polymer 0.00 0.00 JWY JX1 C28H23N3O5 non-polymer 0.00 0.00 JX1 JX2 C30H33N3O4 non-polymer 0.00 0.05 JX2 JX7 C6H11N3O3 non-polymer 0.69 0.58 JX7 JXA C13Cl2H14N4O2 non-polymer 0.00 0.00 JXA JXD C46H78N2O17P2 non-polymer 1.00 0.90 JXD JXG C8H13N3O6S1 non-polymer 0.00 0.00 JXG JXM C20F3H23N4O3 non-polymer 0.00 0.00 JXM JXP C18Cl1F1H13N5O1 non-polymer 0.00 0.00 JXP JXS C16H15N7O1 non-polymer 0.00 0.00 JXS JXV C20H19N3O3 non-polymer 0.00 0.00 JXV JY C28H38O2 non-polymer 0.25 0.17 JY JY1 C36H78N6O6P4Rh1 non-polymer 0.00 0.00 JY1 JY4 C12H12N4O2 non-polymer 0.00 0.00 JY4 JY7 C17F1H14N5O1 non-polymer 0.00 0.00 JY7 JYD C4H6O4S1 non-polymer 0.96 0.89 JYD JYG C23H25N5O2 non-polymer 0.00 0.00 JYG JYH C24H17N1O3 non-polymer 0.00 0.00 JYH JYI C27Cl1H23O2 non-polymer 0.25 0.07 JYI JYJ C19Cl1H19N2O2S1 non-polymer 0.00 0.00 JYJ JYM C13F3H16N5O1 non-polymer 0.00 0.00 JYM JYP C16H26N5O18P3 non-polymer 1.00 0.50 JYP JYS Br1C21F1H17N3O3 non-polymer 0.23 0.28 JYS JYV C33H39N7O3S1 non-polymer 0.33 0.16 JYV JYY C29H28N6O5S1 non-polymer 0.64 0.15 JYY JZ0 C7H8O1 non-polymer 0.00 0.00 JZ0 JZ1 C8H10O1 non-polymer 0.00 0.00 JZ1 JZ2 C7Cl1H7O1 non-polymer 0.00 0.00 JZ2 JZ3 C7H8O2 non-polymer 0.00 0.00 JZ3 JZ4 C9H12O1 non-polymer 0.00 0.00 JZ4 JZ5 C5H5N1O1S1 non-polymer 0.00 0.00 JZ5 JZ6 C3Cl1H3N2 non-polymer 0.00 0.00 JZ6 JZ7 C7H12O2 non-polymer 0.00 0.00 JZ7 JZ8 C16H15N5 non-polymer 0.00 0.00 JZ8 JZ9 C8H11N1 non-polymer 0.00 0.00 JZ9 JZA C7H12N2O4S1 non-polymer 0.00 0.00 JZA JZB C24Cl1H29N2O6 non-polymer 0.00 0.00 JZB JZC C24H30N2O6 non-polymer 0.00 0.00 JZC JZD C37Cl4H38N2O6 non-polymer 0.00 0.00 JZD JZE C33Cl4H30N2O6 non-polymer 0.00 0.00 JZE JZF C19H29N1O6 non-polymer 0.61 0.27 JZF JZG C33H27N5O4 non-polymer 0.00 0.00 JZG JZH C21H15N3O2 non-polymer 0.00 0.00 JZH JZI C22H19N1O3 non-polymer 0.50 0.35 JZI JZJ Br1C18H16N3 non-polymer 0.00 0.00 JZJ JZK C22Cl1H25N4O1 non-polymer 0.00 0.00 JZK JZL C23Cl1H28N5O2 non-polymer 0.00 0.00 JZL JZM C14Cl1H11N4S1 non-polymer 0.00 0.00 JZM JZN C34F4H37N5O4 non-polymer 0.38 0.04 JZN JZO C21H20N4O2 non-polymer 0.45 0.22 JZO JZP C33Cl2H35N3O6S1 peptide-like 0.47 0.29 JZP JZQ C33F2H35N3O6S1 peptide-like 0.47 0.29 JZQ JZR C12H24O6 non-polymer 1.00 0.67 JZR JZS C22F6H21N5O3 non-polymer 0.40 0.22 JZS JZT C39H64N6O7 non-polymer 0.38 0.15 JZT JZU C10H15N7O5S1 non-polymer 1.00 0.43 JZU JZV C20F3H19N2O4 non-polymer 0.97 0.34 JZV JZW C23H29N5O4S2 non-polymer 0.00 0.00 JZW JZX C21H27N7O3S2 non-polymer 0.00 0.00 JZX JZY C21H28N8O3S2 non-polymer 0.00 0.00 JZY JZZ C20H21N3O2 non-polymer 0.38 0.08 JZZ K K1 non-polymer 0.00 0.00 K K00 C9F1H15O8 non-polymer 1.00 0.94 K00 K01 C18H22N2O2S2 non-polymer 0.50 0.29 K01 K02 C19H24N2O2S2 non-polymer 0.50 0.28 K02 K03 C20H26N2O2S2 non-polymer 0.50 0.27 K03 K04 C8H11N3O2S1 non-polymer 0.00 0.00 K04 K05 C19H16N2O4 non-polymer 0.25 0.20 K05 K07 C10Cl1H14N3O1 non-polymer 0.00 0.00 K07 K08 C23H24N4 non-polymer 0.00 0.00 K08 K09 C23F1H23N4 non-polymer 0.00 0.00 K09 K0A C10H14N2O1S1 non-polymer 0.00 0.00 K0A K0D C9H13N3O2S1 non-polymer 0.00 0.00 K0D K0G C12H11N3O1 non-polymer 0.00 0.00 K0G K0I C22H23N5O2 non-polymer 0.00 0.00 K0I K0J C5H8N4O1 non-polymer 0.50 0.50 K0J K0L C10H13N1O3 peptide-like 0.00 0.00 K0L K0M C9H10N4O2 non-polymer 0.00 0.00 K0M K0P C12H14N4O1 non-polymer 0.00 0.00 K0P K0S C11H12N4O1S1 non-polymer 0.00 0.00 K0S K0V C12H22N2O3 non-polymer 0.60 0.71 K0V K0W C6H20O30P8 non-polymer 1.00 0.27 K0W K0X C24F1H34N7O2 non-polymer 0.00 0.00 K0X K0Y C8H10N2O4 non-polymer 0.80 0.50 K0Y K10 C18H23N5 non-polymer 0.39 0.22 K10 K11 C28F3H20N7O1 non-polymer 0.00 0.00 K11 K12 C12H27O5P1 non-polymer 0.00 0.00 K12 K13 C28H39N3O7S1 non-polymer 0.00 0.00 K13 K14 C29H40N2O8S1 non-polymer 0.00 0.00 K14 K15 C20H33N7O5 non-polymer 1.00 0.31 K15 K17 Br4C7H2N2 non-polymer 0.00 0.00 K17 K19 C29H37N3O7S2 non-polymer 0.00 0.00 K19 K1A C9H11N3O2S1 non-polymer 0.00 0.00 K1A K1D C8H9N5 non-polymer 0.00 0.00 K1D K1G C10H15N5 non-polymer 0.36 0.27 K1G K1J C9H15N3O1S1 non-polymer 0.00 0.00 K1J K1P C8H14N4S1 non-polymer 0.00 0.00 K1P K1Q C29F1H30N3O3 non-polymer 0.36 0.11 K1Q K1R C7H15N3O5S2 L-peptide linking 0.00 0.00 K1R K1S C10H15N5 non-polymer 0.00 0.00 K1S K1T C19H28N2O5 non-polymer 0.00 0.00 K1T K1V C8H14N2O2 non-polymer 0.00 0.00 K1V K1Y C12H12N2O2S1 non-polymer 0.00 0.00 K1Y K20 C29H38N2O9S1 non-polymer 0.00 0.00 K20 K21 C25H32N2O2S1 non-polymer 0.00 0.00 K21 K22 Br4C7H2N2S1 non-polymer 0.00 0.00 K22 K23 C25Cl2H17N3O2 non-polymer 0.00 0.00 K23 K24 C6H8N2O1S1 non-polymer 0.50 0.40 K24 K25 Br4C9H7N3 non-polymer 0.20 0.19 K25 K26 C25H34N3O8P1 non-polymer 0.00 0.00 K26 K27 C15H18N4O2 non-polymer 0.00 0.00 K27 K29 C21H18N2O3S1 non-polymer 0.00 0.00 K29 K2A C29H40N2O8S1 non-polymer 0.00 0.00 K2A K2B C27H44O1 non-polymer 0.00 0.00 K2B K2C C20H13N3O1 non-polymer 0.00 0.00 K2C K2D C30H42N2O8S1 non-polymer 0.00 0.00 K2D K2E C30H40N2O9S1 non-polymer 0.00 0.00 K2E K2G C8Cl1H10N3O1 non-polymer 0.00 0.00 K2G K2J C6H9N3O1 non-polymer 0.00 0.00 K2J K2M C10H13N3O3 non-polymer 0.00 0.00 K2M K2N C17H19N5O2 non-polymer 0.00 0.00 K2N K2P C8F3H5O3 non-polymer 0.00 0.00 K2P K2Q C10H12O5 non-polymer 0.00 0.00 K2Q K2S C7H13N3O2S1 non-polymer 0.00 0.00 K2S K2T C8H8N2S1 non-polymer 0.00 0.00 K2T K2V C12H13N3 non-polymer 0.00 0.00 K2V K2Y C6H10O16P4 non-polymer 0.00 0.00 K2Y K2Z C27H45N5O5 non-polymer 0.50 0.59 K2Z K30 C25F3H28N3O2 non-polymer 0.00 0.00 K30 K31 C11H13N3 non-polymer 0.00 0.00 K31 K32 Br4C7H2N2O1 non-polymer 0.00 0.00 K32 K34 C5H4N4S1 non-polymer 0.00 0.00 K34 K35 C12H23N1O6 non-polymer 1.00 0.68 K35 K36 C21H31N3O8S1 peptide-like 0.39 0.58 K36 K37 Br4C8H4N2S1 non-polymer 0.00 0.00 K37 K3A C6H9N3O1 non-polymer 0.00 0.00 K3A K3D C9H17N3O2 non-polymer 0.00 0.00 K3D K3G H12O40P1 non-polymer 0.00 0.00 K3G K3J C7H11N3 non-polymer 0.00 0.00 K3J K3M C8F1H8N1O1 non-polymer 0.00 0.00 K3M K3N C29H39N3O3 non-polymer 0.00 0.06 K3N K3P C8Cl1H7N4O1 non-polymer 0.00 0.00 K3P K3S C6H12N4 non-polymer 0.00 0.00 K3S K3T C12Cl1F1H8N2O1S2 non-polymer 0.00 0.00 K3T K3V C10H10N2O3 non-polymer 0.00 0.00 K3V K3W C28H29N3O4 non-polymer 0.36 0.11 K3W K3Y C10H16N4O1 non-polymer 0.00 0.00 K3Y K3Z C10H10O3 non-polymer 0.44 0.46 K3Z K41 C6H11N5O1 non-polymer 0.00 0.00 K41 K44 Br4C10H7N3 non-polymer 0.00 0.00 K44 K47 C22H29N7O3 non-polymer 0.00 0.00 K47 K4A C23H26N10O1 non-polymer 0.00 0.00 K4A K4D C17F6H20N2O3 non-polymer 0.00 0.00 K4D K4E C22Cl1H25N4O3 non-polymer 0.00 0.00 K4E K4F C27H23N3O3 non-polymer 0.00 0.00 K4F K4G C18H31N1O4 non-polymer 0.00 0.00 K4G K4J B1C28F2H23N2O6 non-polymer 0.50 0.10 K4J K4K C17H18N2O3S1 non-polymer 0.00 0.00 K4K K4M B1C27F2H21N4O4 non-polymer 0.50 0.11 K4M K4P B1C27Cl1F1H23N2O6S1 non-polymer 0.50 0.10 K4P K4S B1C26F1H24N2O6S1 non-polymer 0.50 0.11 K4S K4T C14H15N3O1 non-polymer 0.00 0.00 K4T K4V C8H7N1O4 non-polymer 0.00 0.00 K4V K4Z C58H74N22O10 non-polymer 0.20 0.03 K4Z K51 C18H19N5O1 non-polymer 0.50 0.29 K51 K52 C21H22N4O4S1 non-polymer 0.31 0.27 K52 K53 C31H35N3O9S1 non-polymer 0.00 0.00 K53 K54 C32F3H33N4O6S2 non-polymer 0.00 0.00 K54 K55 C24F4H27N1O4 non-polymer 0.00 0.00 K55 K56 C24H27N5O3 non-polymer 0.00 0.00 K56 K57 C28H37N3O5S1 peptide-like 0.39 0.43 K57 K58 C20H19N3O3 non-polymer 0.31 0.31 K58 K5A C27H28N6O3S2 non-polymer 0.00 0.00 K5A K5B C8H12O7 non-polymer 1.00 1.00 K5B K5C C29H30N6O3S2 non-polymer 0.17 0.07 K5C K5D Br1C14H16N1O3 non-polymer 0.00 0.00 K5D K5E C14H16N2O2S1 non-polymer 0.00 0.00 K5E K5G Br1C14H16N1O3S1 non-polymer 0.00 0.00 K5G K5H C6F3H10N1O4S1 L-peptide linking 0.00 0.00 K5H K5J C17H21N1O5S1 non-polymer 0.00 0.00 K5J K5K C21Cl2H20N2O6S1 non-polymer 0.38 0.28 K5K K5L C6H9N1O6 L-peptide linking 0.88 1.00 K5L K5M C17H21N1O5S1 non-polymer 0.00 0.00 K5M K5N C21H22N4O4S1 non-polymer 0.50 0.43 K5N K5P C27H27N1O4 non-polymer 0.38 0.06 K5P K5Q C22H19N1O7 non-polymer 0.00 0.00 K5Q K5S C29Cl1F1H27N1O5 non-polymer 0.38 0.05 K5S K5V C6H7N1O1 non-polymer 0.00 0.00 K5V K5Y C25H37N1O4 non-polymer 0.58 0.23 K5Y K60 C32F3H34N3O8S1 non-polymer 0.00 0.00 K60 K62 C33H37N3O9S1 non-polymer 0.62 0.07 K62 K64 C32H37N3O5S1 non-polymer 0.45 0.20 K64 K66 Br4C11H9N3O2 non-polymer 0.20 0.15 K66 K67 C29H30N2O7S2 non-polymer 0.00 0.00 K67 K68 Br4C9H4N2O2 non-polymer 0.00 0.00 K68 K6H C6Cl1H5O4 non-polymer 0.00 0.00 K6H K6K C26H30N10O3 non-polymer 0.50 0.13 K6K K6V C7H15N1O2 non-polymer 0.50 0.50 K6V K6X Br5C7H1N2 non-polymer 0.00 0.00 K6X K6Y C24F1H22N5O4 non-polymer 0.50 0.32 K6Y K70 C19H16N3O2S1 non-polymer 0.00 0.00 K70 K74 Br4C11H9N3O1S1 non-polymer 0.00 0.00 K74 K76 C16F8H10N4O1 non-polymer 0.25 0.21 K76 K78 Br1C20H26N1O1 non-polymer 0.38 0.09 K78 K7I C16H25N3O3 non-polymer 0.44 0.55 K7I K7J C25Cl1H35N4O7 non-polymer 0.00 0.00 K7J K7V C6H17O21P5 non-polymer 1.00 0.38 K7V K80 C12H17N1O2 non-polymer 0.00 0.00 K80 K81 C25F3H25N4O4 non-polymer 0.00 0.00 K81 K82 C10Cl1H14N1O1 non-polymer 0.58 0.31 K82 K83 C28H34N2O6S1 non-polymer 0.00 0.00 K83 K84 C25H37N3O2 non-polymer 0.42 0.20 K84 K85 C16F3H18N3O3 non-polymer 0.62 0.32 K85 K86 C27H29N5O6S1 non-polymer 1.00 0.41 K86 K87 C36H38N6O6S1 non-polymer 1.00 0.33 K87 K88 C19H21N3O3S1 non-polymer 0.00 0.00 K88 K89 C18F4H16N2O4S1 non-polymer 0.00 0.00 K89 K8A Br1C6H4N5 non-polymer 0.00 0.00 K8A K8K C20F2H17N5O2 non-polymer 0.00 0.00 K8K K8M C24Cl1F3H19N3O2 non-polymer 0.00 0.00 K8M K8P C8H16N1O7P1 non-polymer 1.00 0.76 K8P K8S C23Cl1F2H19N2O3 non-polymer 0.00 0.00 K8S K8V C13H13N1O7 non-polymer 0.00 0.00 K8V K8X C7H2I4N2 non-polymer 0.00 0.00 K8X K8Y C12H11N1O7 non-polymer 0.00 0.00 K8Y K91 C15Cl2H9N1O2 non-polymer 0.00 0.00 K91 K94 C7F2H13N1O2 non-polymer 0.44 0.58 K94 K95 C37H44N4O6S2 peptide-like 0.00 0.00 K95 K97 C14H16N2O3 non-polymer 0.00 0.00 K97 K99 C9F2H14O8 non-polymer 1.00 0.89 K99 K9A C19H22N8 non-polymer 1.00 0.33 K9A K9B B1C19H29N3O6 non-polymer 0.00 0.00 K9B K9H C17H31N1O7P2 non-polymer 0.00 0.00 K9H K9J C29H38N6O3 non-polymer 0.50 0.16 K9J K9K B1C19H27N3O5 non-polymer 0.00 0.00 K9K K9L C19F1H20N5 non-polymer 0.00 0.00 K9L K9M C24H27N5O1 non-polymer 0.00 0.00 K9M K9P C19H23N1O2 non-polymer 0.00 0.00 K9P K9Q C20H25N3O2 non-polymer 0.00 0.00 K9Q K9S C9H9N1S1 non-polymer 0.00 0.00 K9S K9T C21H23N4O7P1S2 non-polymer 0.38 0.06 K9T K9W C21H24N4O1 non-polymer 0.00 0.00 K9W K9Y C26H27N9O1 non-polymer 0.38 0.06 K9Y K9Z C21H24N4O2 non-polymer 0.00 0.00 K9Z KA2 C21H22N4O4S2 non-polymer 0.38 0.06 KA2 KA5 C17Cl1H18N5O2 non-polymer 0.00 0.00 KA5 KA8 C21F1H23N4O1 non-polymer 0.00 0.00 KA8 KAA C16H26N8O7S1 non-polymer 1.00 0.31 KAA KAB C48H75N5O14 non-polymer 0.40 0.10 KAB KAC C11H13N1O3 peptide-like 0.00 0.00 KAC KAF C28H30N2O6 non-polymer 0.00 0.00 KAF KAG C14H20N5O8P1 RNA linking 1.00 0.54 KAG KAH C6H13N1O3 non-polymer 0.00 0.00 KAH KAI C10H15N1O4 non-polymer 0.38 0.20 KAI KAK C10H14N5O7P1 RNA OH 3 prime terminus 1.00 0.39 KAK KAM C17H27N2O8P1 non-polymer 0.00 0.00 KAM KAN C18H36N4O11 non-polymer 1.00 1.00 KAN KAO C26H27N5O1 non-polymer 0.38 0.06 KAO KAP C9H17N1O3 non-polymer 0.00 0.00 KAP KAQ C22H26N4O1S1 non-polymer 0.00 0.00 KAQ KAR C46Cl1H56N5O7 non-polymer 0.38 0.14 KAR KAT C13H15N5O1 non-polymer 0.00 0.00 KAT KAW C30H31N3O6 non-polymer 0.00 0.00 KAW KAZ C27H29N3O3 non-polymer 0.00 0.00 KAZ KB0 C22H18O2 non-polymer 0.00 0.00 KB0 KB1 C21F1H26N7O5 non-polymer 1.00 0.29 KB1 KB2 C24H33N5O1 non-polymer 0.44 0.13 KB2 KB7 C13H18N6O6 non-polymer 1.00 0.40 KB7 KB8 C15F3H16N3 non-polymer 0.00 0.00 KB8 KBA C10H17N3O5 non-polymer 1.00 0.61 KBA KBD C18H20N6O6 non-polymer 1.00 0.33 KBD KBE C6H14N2O2 L-peptide linking 0.00 0.00 KBE KBF C16H17N1O3 non-polymer 0.00 0.00 KBF KBG C6H10O6 D-saccharide 1.00 1.00 KBG KBI C21F3H23N6O2 non-polymer 0.00 0.00 KBI KBJ C19H22N6O6 non-polymer 1.00 0.32 KBJ KBK C11H16N1O7P1 non-polymer 0.64 0.30 KBK KBM C16Cl1H11O3 non-polymer 0.00 0.00 KBM KBP C14H27N1O3S1 non-polymer 0.00 0.00 KBP KBR C12H23N1O3 non-polymer 0.00 0.00 KBR KBS C18H21N1O5S2 peptide linking 0.36 0.15 KBS KBT C20H23N3O3 non-polymer 1.00 0.54 KBT KBV C14H21N1O2 peptide linking 0.38 0.12 KBV KBW C12O16Re4 non-polymer 0.00 0.00 KBW KBY C34H43N3O7S2 non-polymer 0.44 0.50 KBY KC1 C35H30Mg1N4O5 non-polymer 0.58 0.31 KC1 KC2 C35H28Mg1N4O5 non-polymer 0.58 0.36 KC2 KC5 C20Cl2H15N1O4 non-polymer 0.00 0.00 KC5 KC6 C14H14N4O3 non-polymer 0.00 0.00 KC6 KC7 C21H23N3O4 non-polymer 1.00 0.36 KC7 KC8 C18H16N4O2 non-polymer 0.00 0.00 KC8 KCA C22F1H24N3O3 non-polymer 0.56 0.41 KCA KCD C20F2H24N2O3 non-polymer 0.58 0.26 KCD KCH C12H10N2O3 non-polymer 0.00 0.00 KCH KCO Co1O38Si1W11 non-polymer 0.00 0.00 KCO KCP C14H16N2O5S2 non-polymer 0.00 0.00 KCP KCQ C8H14N2O2 non-polymer 0.00 0.00 KCQ KCR C10H18N2O3 L-peptide linking 0.50 0.13 KCR KCS C1H2S3 non-polymer 0.00 0.00 KCS KCT C21H13N3O3 non-polymer 0.00 0.00 KCT KCX C7H14N2O4 L-peptide linking 0.00 0.00 KCX KCY C4H9N1O2S1 D-peptide linking 0.00 0.00 KCY KD0 C8H15O11P1 non-polymer 1.00 0.80 KD0 KD1 C30H50N1O29P1 non-polymer 1.00 0.93 KD1 KD2 C16H30N2O17P2 saccharide 1.00 0.78 KD2 KD5 C8H12O7 non-polymer 1.00 1.00 KD5 KDA C11H18O8 D-saccharide 1.00 1.00 KDA KDB C8H12O6 non-polymer 0.97 0.29 KDB KDD C8H12O6 non-polymer 1.00 1.00 KDD KDE C11H18O8 non-polymer 1.00 1.00 KDE KDF C6H10O6 non-polymer 1.00 1.00 KDF KDG C6H10O6 non-polymer 0.98 1.00 KDG KDH C22H18O11 non-polymer 0.00 0.00 KDH KDI C20H28N6O4S1 non-polymer 0.59 0.26 KDI KDJ C8F2H19N1O24P6 non-polymer 1.00 0.29 KDJ KDM C9H16O9 D-saccharide 1.00 1.00 KDM KDN C9H16O9 D-saccharide 1.00 1.00 KDN KDO C8H14O8 D-saccharide 1.00 1.00 KDO KDP C6H11O9P1 non-polymer 1.00 0.75 KDP KDR C11H18O7 non-polymer 1.00 1.00 KDR KDT Br1C18H17N4O4S1 non-polymer 1.00 0.36 KDT KDV C10H6N2 non-polymer 0.00 0.00 KDV KDW C54H58N8O6 non-polymer 0.00 0.00 KDW KE1 C17H27N3O5S1 non-polymer 0.50 0.35 KE1 KE4 C13H22N3O7P1 non-polymer 0.00 0.00 KE4 KE7 C25Cl1F3H29N5O4 non-polymer 0.50 0.21 KE7 KE9 C25F3H25N2O2 non-polymer 0.58 0.25 KE9 KED C10H10N1O4P1 non-polymer 0.00 0.00 KED KEE C19H16N2O3 non-polymer 0.00 0.00 KEE KEF C16H16N4O8S1 non-polymer 0.50 0.38 KEF KEG O40P1W12 non-polymer 0.00 0.00 KEG KEJ C18Cl1H15N6O2 non-polymer 0.00 0.00 KEJ KEK C15Cl1H14O4 non-polymer 0.50 0.50 KEK KEL C14H18N2O5 non-polymer 0.64 0.71 KEL KEM C19H25O6 non-polymer 0.50 0.40 KEM KEN C3H9N1 non-polymer 0.20 0.75 KEN KEO C12H26N4O4 L-peptide linking 0.00 0.00 KEO KEP C18Cl1F2H13N6O2 non-polymer 0.00 0.00 KEP KES C17Cl1F2H11N6O2 non-polymer 0.00 0.00 KES KET C12H16N2O9P1 non-polymer 0.86 0.38 KET KEU C22F3H30N5O8 non-polymer 1.00 0.61 KEU KEV C19Cl1H17N6O2 non-polymer 0.00 0.00 KEV KEY C18Cl1H15N6O2 non-polymer 0.00 0.00 KEY KF1 C21H16N6O2 non-polymer 0.00 0.00 KF1 KF4 C18H14N8O2 non-polymer 0.00 0.00 KF4 KFD C29H29N7O3 non-polymer 0.00 0.00 KFD KFG C2H7O4P1 non-polymer 0.00 0.00 KFG KFJ C10H12N2O5 non-polymer 0.00 0.00 KFJ KFN C9H14O8 D-saccharide 1.00 1.00 KFN KFP C13H19N7O3 D-peptide linking 0.00 0.00 KFP KFQ C9H6N4O1S1 non-polymer 0.00 0.00 KFQ KFV C24H38N8O19P3S1 non-polymer 1.00 0.51 KFV KFY C19H23N5O3 non-polymer 0.50 0.07 KFY KFZ C14Cl2H12N4O1S1 non-polymer 0.00 0.00 KFZ KG1 C9H14O5 non-polymer 1.00 0.79 KG1 KG4 C11H14N5O9P1 non-polymer 1.00 0.38 KG4 KG7 C3H5N1O3 non-polymer 0.93 0.57 KG7 KGA C24H38N8O20P3 non-polymer 1.00 0.65 KGA KGC C11H18N2O6 L-peptide linking 0.00 0.00 KGC KGD C40H54O1 non-polymer 0.38 0.39 KGD KGG C23H23N3O2 non-polymer 0.00 0.00 KGG KGJ C24H39N9O19P3 non-polymer 1.00 0.53 KGJ KGM C13H26O6 non-polymer 1.00 0.63 KGM KGN C6H18O24P6 non-polymer 1.00 0.33 KGN KGP C24H41N8O20P3S1 non-polymer 1.00 0.41 KGP KGQ C33H49N2O12P1S1 non-polymer 0.62 0.14 KGQ KGR C6H6O7 non-polymer 0.96 1.00 KGR KGT C10H14N2O7S1 non-polymer 0.69 0.35 KGT KGU C24H36N6O3 non-polymer 0.00 0.00 KGU KGV C19H24N7O7P1 RNA linking 1.00 0.29 KGV KGW C22H25N7O3 non-polymer 0.50 0.12 KGW KGY C22H27N3O8S2 non-polymer 0.50 0.14 KGY KH1 C29H48O4 non-polymer 0.47 0.27 KH1 KH2 C9H19N1O3S1 non-polymer 0.00 0.00 KH2 KH3 C22H38N8O5 non-polymer 1.00 0.29 KH3 KH4 C15H25N4O8P1S1 non-polymer 0.62 0.34 KH4 KHA C16H25N2O2 non-polymer 0.64 0.30 KHA KHB C10H20N2O4 L-peptide linking 0.00 0.00 KHB KHD C26H23N3O3 non-polymer 0.00 0.00 KHD KHJ C12H14N2 non-polymer 0.00 0.00 KHJ KHM C20H20N4O4 non-polymer 0.00 0.00 KHM KHO C10H18O9 non-polymer 1.00 1.00 KHO KHP C11H13N1O7 non-polymer 1.00 0.53 KHP KHY C29Cl1F6H28N5O2 non-polymer 0.00 0.00 KHY KI1 C15Cl1F3H17N1O2S1 non-polymer 0.00 0.00 KI1 KI2 C18H19N1O5 non-polymer 0.48 0.67 KI2 KI3 C15H12N2O2S1 non-polymer 0.00 0.00 KI3 KI5 C8H12N2O1S1 non-polymer 0.00 0.00 KI5 KI9 C12Cl5H4N1O1 non-polymer 0.00 0.00 KI9 KIA C8H8O4 non-polymer 0.00 0.00 KIA KIB C8H10O4 non-polymer 0.00 0.00 KIB KIF C8H12N2O6 non-polymer 1.00 1.00 KIF KIJ C13H9N1O7 non-polymer 0.00 0.00 KIJ KIK C5H9N1O2 non-polymer 0.57 1.00 KIK KIM C22H24N6O3 non-polymer 0.00 0.00 KIM KIN C19F3H14N3O2 non-polymer 0.00 0.00 KIN KIQ C19F6H17N5O1 non-polymer 0.00 0.00 KIQ KIR C43H60N2O12 non-polymer 1.00 0.93 KIR KIU C15H11N1O7 non-polymer 0.00 0.00 KIU KIV C5H8O3 non-polymer 0.70 1.00 KIV KIW C15H12N2O6 non-polymer 0.00 0.00 KIW KJ2 C18Cl1H18N3O3 non-polymer 0.00 0.00 KJ2 KJ4 C24H46N10 non-polymer 0.00 0.00 KJ4 KJ7 C10H13N3 non-polymer 0.00 0.00 KJ7 KJ8 C31H31N5O3 non-polymer 0.20 0.08 KJ8 KJD C17F2H13N3O3S1 non-polymer 0.00 0.00 KJD KJJ C35F1H41N2O4 non-polymer 0.56 0.12 KJJ KJK B1C19H28N3O5 non-polymer 0.00 0.00 KJK KJM C11Cl1H13N2 non-polymer 0.00 0.00 KJM KJP C39Cl2H39N5O4 non-polymer 0.00 0.00 KJP KJQ C26H21N3O2 non-polymer 0.00 0.00 KJQ KJR C28H24N4O3 non-polymer 0.00 0.00 KJR KJS C29H36N4O3 non-polymer 0.58 0.11 KJS KJU C8Cl1H6N1O2 non-polymer 0.00 0.00 KJU KJV C32H33N5O3 non-polymer 0.20 0.07 KJV KJY C9H10O3 non-polymer 0.00 0.00 KJY KJZ C23Cl1H20N3O4 non-polymer 0.50 0.23 KJZ KK1 C19H28N4O1 non-polymer 0.00 0.00 KK1 KK2 C15F3H15N4O1 non-polymer 0.00 0.00 KK2 KK3 C17F3H19N4 non-polymer 0.00 0.00 KK3 KK4 C30H28N4O3 non-polymer 0.38 0.05 KK4 KK5 O39P1W11Zn1 non-polymer 0.00 0.00 KK5 KK7 C15H13N5O1 non-polymer 0.00 0.00 KK7 KK8 C22H18N6O1 non-polymer 0.00 0.00 KK8 KKA C10H18N2O5S1 non-polymer 0.00 0.00 KKA KKE B1C14H14N2O3S1 non-polymer 0.00 0.00 KKE KKG C10H8N2O3 non-polymer 0.00 0.00 KKG KKH B1C14H14N2O4 non-polymer 0.00 0.00 KKH KKJ C15H30O3 non-polymer 0.00 0.00 KKJ KKK C26Cl2H28N4O4 non-polymer 0.00 0.00 KKK KKM C16H16N4O3 non-polymer 0.61 0.30 KKM KKN C8H6O3 non-polymer 0.00 0.00 KKN KKP C14H12N4O2 non-polymer 0.50 0.20 KKP KKQ Br1C25F1H22N4O1 non-polymer 0.00 0.00 KKQ KKR C30H35N7O3S1 non-polymer 0.44 0.20 KKR KKS C23H17N5O2 non-polymer 0.00 0.00 KKS KKT C16H22N4O4S1 non-polymer 1.00 0.40 KKT KKV C18F1H12N1O4 non-polymer 0.00 0.00 KKV KKY C21F1H28N3 non-polymer 0.00 0.00 KKY KKZ C25Cl1F3H21N5O2 non-polymer 0.00 0.00 KKZ KL1 C19F2H25N3 non-polymer 0.20 0.12 KL1 KL4 C20F1H26N3 non-polymer 0.00 0.00 KL4 KL5 B1C15H16N2O3S1 non-polymer 0.00 0.00 KL5 KL7 C19F2H25N3 non-polymer 0.20 0.12 KL7 KLA C20F2H25N3 non-polymer 0.00 0.00 KLA KLD C21F2H27N3 non-polymer 0.00 0.00 KLD KLG C10H14N2O4S1 non-polymer 0.00 0.00 KLG KLH C13H18N2O4S1 non-polymer 0.00 0.00 KLH KLI C31F5H26N5O2 non-polymer 0.00 0.00 KLI KLJ C11H16N2O5S1 non-polymer 0.00 0.00 KLJ KLM C26H28N6O4 non-polymer 0.61 0.19 KLM KLN C26Cl2H28N4O4 non-polymer 0.00 0.00 KLN KLP C21H22N4O3S1 non-polymer 0.00 0.00 KLP KLS C9H12N4O1 non-polymer 0.31 0.43 KLS KLT C14Cl1H11N2O4S1 non-polymer 0.00 0.00 KLT KLV C10H9O6P1 non-polymer 0.00 0.00 KLV KLW C8H7N1O3 non-polymer 0.00 0.00 KLW KLY C18F1H20N3 non-polymer 0.36 0.18 KLY KM0 C16Cl1H12N1O1 non-polymer 0.00 0.00 KM0 KM1 C16Cl2H11N1O1 non-polymer 0.00 0.00 KM1 KM7 C19F1H22N3 non-polymer 0.36 0.17 KM7 KMA C20F1H26N3 non-polymer 0.00 0.00 KMA KMB C16H16N4O1S1 non-polymer 0.00 0.00 KMB KMD C21F1H28N3 non-polymer 0.00 0.00 KMD KME C12H20O8 non-polymer 1.00 0.95 KME KMG C12H17N3O2S1 non-polymer 0.00 0.00 KMG KMH C6H11N1O3 non-polymer 0.00 0.00 KMH KMJ C19F2H25N3 non-polymer 0.20 0.12 KMJ KMM C19F3H24N3 non-polymer 0.20 0.12 KMM KMN C27H32N2O2 non-polymer 0.50 0.10 KMN KMP C15H10O6 non-polymer 0.00 0.00 KMP KMS C19F3H24N3 non-polymer 0.20 0.12 KMS KMT C5H8O3S1 non-polymer 0.69 0.78 KMT KMV C18F2H19N3 non-polymer 0.36 0.17 KMV KMY C9Cl1H6N1O2S1 non-polymer 0.00 0.00 KMY KN0 C21F3H15N2O2 non-polymer 0.00 0.00 KN0 KN1 C17F3H13N2O2 non-polymer 0.36 0.17 KN1 KN2 C13H10N2O3 non-polymer 0.00 0.00 KN2 KN3 C19F3H17N2O2 non-polymer 0.38 0.08 KN3 KN4 C21F2H27N3 non-polymer 0.00 0.00 KN4 KN9 C26Cl1H29N2O4S1 non-polymer 0.43 0.12 KN9 KNA C9H18O2 non-polymer 0.00 0.00 KNA KNB C4H9N1O4S1 L-peptide linking 0.61 0.80 KNB KNC C18H36N4O11 non-polymer 1.00 1.00 KNC KND C21F2H27N3O1 non-polymer 0.00 0.00 KND KNI C33H41N5O6S2 peptide-like 0.43 0.50 KNI KNJ C30H40N4O5S1 peptide-like 0.47 0.38 KNJ KNL C8Cl2H6O3 non-polymer 0.00 0.00 KNL KNM C51H92N6O8S1 non-polymer 0.00 0.00 KNM KNN C8H11N1 non-polymer 0.00 0.00 KNN KNP C8F2H6O3 non-polymer 0.00 0.00 KNP KNS C23F2H31N3O1 non-polymer 0.00 0.00 KNS KNV C20F2H25N3 non-polymer 0.00 0.00 KNV KO1 C8H14O9 D-saccharide 1.00 1.00 KO1 KO2 C11H18O9 D-saccharide 1.00 1.00 KO2 KO4 H8K1O4 non-polymer 0.00 0.00 KO4 KOB C13F1H10N5O4S1 non-polymer 0.00 0.00 KOB KOH C12Cl1H11N2O3 non-polymer 0.98 0.33 KOH KOJ C6H6O4 non-polymer 1.00 1.00 KOJ KOK C11H10N4O1 non-polymer 0.00 0.00 KOK KOL C17H27N3O5S1 non-polymer 0.50 0.35 KOL KOM C15H10O4 non-polymer 0.00 0.00 KOM KOP C1H5O4P1 non-polymer 0.00 0.00 KOP KOR C7H15N3O5S2 L-peptide linking 0.00 0.00 KOR KOS C32H48N4O8 non-polymer 0.20 0.07 KOS KOT C14H17N3O5 non-polymer 1.00 0.55 KOT KOU C11H15N2O8P1 non-polymer 0.84 0.32 KOU KOV C16H16N4O8S1 non-polymer 0.50 0.38 KOV KOY C26H25N5O7 non-polymer 1.00 0.26 KOY KP1 C7H16O2 non-polymer 0.55 1.00 KP1 KP2 C12H11N5 non-polymer 0.00 0.00 KP2 KP3 C28H32N8O8 non-polymer 1.00 0.27 KP3 KP6 C8H14N2O1 non-polymer 0.00 0.00 KP6 KPA C5H9O6P1 non-polymer 0.69 0.58 KPA KPC C5H10O4S2 non-polymer 0.00 0.00 KPC KPF C9F1H15N2O4 L-peptide linking 0.93 0.25 KPF KPG C6H13O10P1 non-polymer 0.99 0.76 KPG KPH C5H15N2O3P1 non-polymer 0.00 0.00 KPH KPI C9H16N2O4 L-peptide linking 0.93 0.27 KPI KPJ C21F2H27N3 non-polymer 0.00 0.00 KPJ KPK C21H20N2O2S2 non-polymer 0.00 0.00 KPK KPL C6H10O4 non-polymer 0.92 1.00 KPL KPM C19H30N2O13 non-polymer 1.00 1.00 KPM KPN C16H18N4O3 peptide-like 0.00 0.00 KPN KPR C5H10N1O5P1 non-polymer 0.50 0.67 KPR KPS C9H15N2O9P1 non-polymer 1.00 0.48 KPS KPT C19H14N1O4 non-polymer 0.00 0.00 KPT KPV C11H12O3 non-polymer 0.69 0.50 KPV KPY C8H14N2O4S1 L-peptide linking 0.93 0.27 KPY KQ7 C30H37N7O3 non-polymer 0.00 0.00 KQ7 KQD C56H56N6O6 non-polymer 0.00 0.00 KQD KQE C18F3H11N4O1 non-polymer 0.00 0.00 KQE KQK C12H12N6 non-polymer 0.20 0.17 KQK KQP C20Cl1H23N2O1 non-polymer 0.46 0.29 KQP KQQ C27H32N8O3S1 non-polymer 0.20 0.08 KQQ KQS C18F1H18N3O2 non-polymer 0.00 0.00 KQS KQW C14H14N6 non-polymer 0.00 0.00 KQW KQY C6H14N2O1 non-polymer 0.00 0.00 KQY KQZ C13H13N5 non-polymer 0.20 0.17 KQZ KR KR1 non-polymer 0.00 0.00 KR KR0 C23H44O4 non-polymer 0.83 0.48 KR0 KR1 C22F1H20N5O3 non-polymer 1.00 0.45 KR1 KR2 C22F3H24N3O2 non-polymer 0.00 0.00 KR2 KR4 C19Cl1H19N4O1 non-polymer 0.00 0.00 KR4 KR5 C14H18N4O3S1 non-polymer 0.00 0.00 KR5 KR7 C21Cl1F3H15N1O2 non-polymer 0.00 0.00 KR7 KR8 C17H14N6 non-polymer 0.00 0.00 KR8 KRA C16H14O3 non-polymer 0.33 0.42 KRA KRB C18H15N1O2 non-polymer 0.33 0.38 KRB KRC C30H27N1O7 non-polymer 0.62 0.08 KRC KRD C19Cl1H18N5O1 non-polymer 0.00 0.00 KRD KRG C14H15N1O4 non-polymer 0.00 0.00 KRG KRH C25H26N6O2 non-polymer 0.00 0.00 KRH KRI C9H17N1O6S1 non-polymer 0.98 0.53 KRI KRJ C22H25N5O1 non-polymer 0.00 0.00 KRJ KRK C14F1H13N6 non-polymer 0.00 0.00 KRK KRL C22H27N5O2 non-polymer 0.22 0.21 KRL KRM C19H19N3O2 non-polymer 0.00 0.00 KRM KRO C14F1H13N2O4 non-polymer 1.00 0.62 KRO KRP C19H21N3O3 non-polymer 1.00 0.56 KRP KRQ C11H10N6 non-polymer 0.00 0.00 KRQ KRS C16H20O5 non-polymer 0.00 0.00 KRS KRV C18H19N3O3 non-polymer 1.00 0.58 KRV KRW C19H16N8O1 non-polymer 0.00 0.00 KRW KRX C20F3H22N3O2 non-polymer 0.00 0.00 KRX KS1 C17H17N7 non-polymer 0.00 0.00 KS1 KS2 C15H19N3O5 non-polymer 1.00 0.61 KS2 KS3 C18H19N3O5 non-polymer 1.00 0.54 KS3 KS4 C17H19N5O2 non-polymer 0.00 0.00 KS4 KS5 C17H16N6 non-polymer 0.36 0.17 KS5 KS7 C25H32N6O3 non-polymer 0.00 0.00 KS7 KSA C27H21N3O5 non-polymer 0.60 0.23 KSA KSB C39H21N13Ru1 non-polymer 0.00 0.00 KSB KSC C19H22N6O2 non-polymer 0.00 0.00 KSC KSD C26H29N1O5 non-polymer 0.64 0.19 KSD KSE C20H27N7O3 non-polymer 0.40 0.20 KSE KSF C18Cl1H13N4 non-polymer 0.00 0.00 KSF KSG C14H25N3O9 non-polymer 1.00 0.81 KSG KSH C22H28N6O4 non-polymer 0.00 0.00 KSH KSK C22H29N7O3 non-polymer 0.40 0.19 KSK KSL C20H18N4 non-polymer 0.00 0.00 KSL KSM C22Cl1H23N6 non-polymer 0.00 0.00 KSM KSR C16H14N4O1 non-polymer 0.00 0.00 KSR KSS C16H17N3O2S1 non-polymer 0.00 0.00 KSS KST C11H16N2O4S1 L-peptide linking 0.00 0.00 KST KSV C5H13O6P1 non-polymer 0.98 0.83 KSV KSY C17H16N2O3 non-polymer 0.00 0.00 KSY KSZ C28Cl1H33N6O4 non-polymer 0.56 0.13 KSZ KT1 C18H18N2O4 non-polymer 0.00 0.00 KT1 KT3 C32F3H40N7O14 non-polymer 1.00 0.73 KT3 KT4 C17H16N2O4 non-polymer 0.00 0.00 KT4 KT5 C42F3H54N9O20 non-polymer 1.00 0.80 KT5 KT7 C8H5N1O3 non-polymer 0.00 0.00 KT7 KTA C8H12O3 non-polymer 0.00 0.00 KTA KTC C18H34O3 non-polymer 0.00 0.00 KTC KTD C15H12N4O2S1 non-polymer 0.00 0.00 KTD KTG C17H16N2O3 non-polymer 0.00 0.00 KTG KTH C4H3N1O1S1 non-polymer 0.00 0.00 KTH KTJ C9H9N3O1 non-polymer 0.00 0.00 KTJ KTK C15H13N3O3 non-polymer 0.00 0.00 KTK KTL C12H24O12S2 non-polymer 1.00 0.85 KTL KTM C15H12N2O3 non-polymer 0.00 0.00 KTM KTN C26Cl2H28N4O4 non-polymer 0.00 0.00 KTN KTO C19H25N3O4 non-polymer 0.00 0.00 KTO KTP C22H17O4P1 non-polymer 0.00 0.00 KTP KTR C15H13N1O3 non-polymer 0.00 0.00 KTR KTS C27H48O21 non-polymer 1.00 1.00 KTS KTU C11H16O7 D-saccharide 1.00 0.94 KTU KTV C15H12N2O3 non-polymer 0.00 0.00 KTV KTZ C20H19N5 non-polymer 0.20 0.12 KTZ KU0 C23Cl2H21N5O6S1 non-polymer 1.00 0.38 KU0 KU1 C11H9N3O4 non-polymer 0.81 0.39 KU1 KU2 C25Cl1H25N4O5S1 non-polymer 1.00 0.47 KU2 KU3 C19F1H17N2O3 non-polymer 0.00 0.00 KU3 KU4 C26Cl1H27N4O5 non-polymer 1.00 0.47 KU4 KU5 C25Cl1H25N4O6S2 non-polymer 1.00 0.37 KU5 KU7 C25F1H25N4O6 non-polymer 1.00 0.47 KU7 KU8 C21F1H21N4O2 non-polymer 0.00 0.00 KU8 KU9 C26Cl1H25N4O4S1 non-polymer 1.00 0.39 KU9 KUA C22H21N3O4 non-polymer 0.00 0.00 KUA KUF C10H9N1O1 non-polymer 0.00 0.00 KUF KUM C21H19N3O4 non-polymer 0.00 0.00 KUM KUP C13H16N4O2 non-polymer 0.00 0.00 KUP KUV C20F3H22N7O1S1 non-polymer 0.00 0.00 KUV KV1 C23H27N5O4 non-polymer 0.00 0.00 KV1 KV4 C27Cl1H31N6O3S1 non-polymer 1.00 0.24 KV4 KVC C23F1H18N7O2 non-polymer 0.00 0.00 KVC KVD C14H9N1O2 non-polymer 0.00 0.12 KVD KVI C36H66N10O9 peptide-like 0.00 0.00 KVI KVP C5H15N1O4P1 non-polymer 0.50 0.45 KVP KVS C36H68N10O10 non-polymer 0.00 0.00 KVS KVT C20H28N4O5S1 non-polymer 1.00 0.30 KVT KVV C5H15N1O3P1 non-polymer 0.20 0.30 KVV KVY C22H28N8O4 non-polymer 0.46 0.26 KVY KVZ C22Cl1H23N4O5S1 non-polymer 0.00 0.00 KVZ KW1 Br1C8H9N2O4S1 non-polymer 0.00 0.00 KW1 KW5 Br1C17H21N4O5S1 non-polymer 0.00 0.00 KW5 KW7 C12F1H11N2O2 non-polymer 0.97 0.24 KW7 KWA C12Cl2H11N1O1 non-polymer 0.00 0.00 KWA KWB C13H15O3 non-polymer 0.00 0.00 KWB KWD C12Cl2H7N3O1S1 non-polymer 0.00 0.00 KWD KWG C19H13N1O2 non-polymer 0.00 0.09 KWG KWJ C20H17N7O2 non-polymer 0.00 0.00 KWJ KWM C36H49N9O16P2 non-polymer 1.00 0.35 KWM KWP C17Cl2H16N4O2 non-polymer 0.00 0.00 KWP KWS C9H13N3O4 L-peptide linking 0.00 0.00 KWS KWT C23H24O8 non-polymer 1.00 0.55 KWT KWV C11Cl2H11N3O1 non-polymer 0.00 0.00 KWV KWY C26H25N3O1 non-polymer 0.38 0.07 KWY KWZ C20F3H21N4 non-polymer 0.00 0.00 KWZ KX1 C20H30N4 non-polymer 0.00 0.00 KX1 KX2 C34H50N4O8 non-polymer 0.00 0.00 KX2 KX7 C16H13N3O4 non-polymer 0.00 0.00 KX7 KXA C22Cl2H19N3O2 non-polymer 0.00 0.00 KXA KXB C18Cl2H19N3O2 non-polymer 0.50 0.20 KXB KXM C35H43N9O15P2 non-polymer 1.00 0.36 KXM KXN C15H14O6 non-polymer 0.00 0.00 KXN KXO C19F4H19N3O1 non-polymer 0.00 0.00 KXO KXP C47H85O19P3 non-polymer 1.00 0.58 KXP KXS C18H27N1O2 non-polymer 0.00 0.00 KXS KXU C18H19N5O2S1 non-polymer 0.00 0.00 KXU KXV C15H17N3O5S1 L-peptide linking 0.00 0.00 KXV KXZ C19Cl1H21N2O3 non-polymer 0.00 0.00 KXZ KY1 C10H11N1O3 non-polymer 0.69 0.50 KY1 KY4 C14F2H13N3O4S1 L-peptide linking 0.00 0.00 KY4 KY7 C14H14N4O6S1 L-peptide linking 0.00 0.00 KY7 KYA C10H7N1O3 non-polymer 0.00 0.00 KYA KYD C6H8N2O2 non-polymer 0.00 0.00 KYD KYJ C26H20N4O4 non-polymer 0.25 0.26 KYJ KYM C25H21N5O4 non-polymer 0.25 0.26 KYM KYN C10H12N2O3 L-peptide linking 0.56 0.53 KYN KYP C25H23N5O4 non-polymer 0.00 0.00 KYP KYQ C9H16N2O5 L-peptide linking 0.93 0.44 KYQ KYS C24Cl1H31N5O4Ru1S2 non-polymer 0.00 0.00 KYS KYT C24Cl1H39N5O2Ru1S1 non-polymer 0.00 0.00 KYT KYV C28H25N5O4 non-polymer 0.00 0.00 KYV KYY C17F1H12N5O3 non-polymer 0.00 0.00 KYY KZ1 C14F3H12N3O4S1 L-peptide linking 0.00 0.00 KZ1 KZ4 Br1C14H14N3O4S1 L-peptide linking 0.00 0.00 KZ4 KZ5 C8H13N3O5S1 non-polymer 0.50 0.47 KZ5 KZ7 C14Cl1H14N3O4S1 L-peptide linking 0.00 0.00 KZ7 KZ9 C14H14N2O2S1 non-polymer 0.00 0.00 KZ9 KZG C14H14I1N3O4S1 L-peptide linking 0.00 0.00 KZG KZH C18H28O3 non-polymer 0.42 0.57 KZH KZI C19H26N6O3 non-polymer 1.00 0.39 KZI KZL C18H24N8O3 non-polymer 1.00 0.59 KZL KZM C26H30N8O4 non-polymer 1.00 0.32 KZM KZP C25Cl1H20N7 non-polymer 0.00 0.06 KZP KZQ C19F1H16N5O2 non-polymer 0.00 0.00 KZQ KZS C20H38N4O2 non-polymer 0.54 0.42 KZS KZV C14F1H14N3O4S1 L-peptide linking 0.00 0.00 KZV KZY C15H17N3O4S1 L-peptide linking 0.00 0.00 KZY KZZ C32H33N5O2 non-polymer 0.00 0.00 KZZ L00 C26Cl1H35N6O4S1 non-polymer 0.50 0.18 L00 L01 C32H41N3O4 non-polymer 0.00 0.00 L01 L02 C14Cl1H16N3 non-polymer 0.00 0.00 L02 L03 C9Cl1H8N3S1 non-polymer 0.00 0.00 L03 L04 C43F1H48N3O5 non-polymer 0.00 0.00 L04 L05 C24H20N2O3 non-polymer 1.00 0.38 L05 L06 C7H15N3O2S1 non-polymer 0.00 0.00 L06 L07 C13H13N3S1 non-polymer 0.00 0.00 L07 L08 C25H26N4O4S1 non-polymer 0.00 0.00 L08 L09 C20Cl1H22N5O2 non-polymer 0.38 0.07 L09 L0A C56H92O29 non-polymer 1.00 0.64 L0A L0B C22H27N1O2 non-polymer 0.00 0.00 L0B L0C C22F1H22N6O2 non-polymer 0.00 0.00 L0C L0D C10H8N4 non-polymer 0.00 0.00 L0D L0E C22H24N7O2 non-polymer 0.00 0.00 L0E L0F C17H13N5O1 non-polymer 0.00 0.00 L0F L0G C19H25N7O2 non-polymer 0.00 0.00 L0G L0H C17H13N5O1 non-polymer 0.00 0.00 L0H L0I C19H24N7O2 non-polymer 0.00 0.00 L0I L0M C27H21N5O2 non-polymer 0.00 0.00 L0M L0P C24H20N4O2S1 non-polymer 0.00 0.00 L0P L0R C23H26N2O3 non-polymer 0.00 0.00 L0R L0Y C26H32N2O5 non-polymer 0.00 0.00 L0Y L0Z C36H38N6O2 non-polymer 0.38 0.05 L0Z L10 C20Cl1H21N4O1 non-polymer 0.38 0.08 L10 L11 C23Cl1F1H25N3O3 non-polymer 0.00 0.00 L11 L12 C15H14N2 non-polymer 0.00 0.00 L12 L13 C9H10N4S1 non-polymer 0.00 0.00 L13 L14 C8H12O4 non-polymer 0.00 0.00 L14 L15 C12H15N3 non-polymer 0.00 0.00 L15 L17 C22Cl2F2H20N4O3 non-polymer 0.00 0.00 L17 L18 C18H29N1 non-polymer 0.00 0.00 L18 L19 C26H24N2O3 non-polymer 0.00 0.00 L19 L1A C33H50N6O7S2 non-polymer 0.54 0.19 L1A L1B C19H24N5O1 non-polymer 0.56 0.20 L1B L1C C28Cl1F2H22N5O4 non-polymer 0.00 0.00 L1C L1D C29Cl1F1H24N4O4 non-polymer 0.00 0.00 L1D L1E C26Cl1H19N8 non-polymer 0.00 0.00 L1E L1G C33H39N9O2 non-polymer 0.00 0.00 L1G L1L C6H14N1O8P1 non-polymer 1.00 0.75 L1L L1O C9Cl2H9N1O3 non-polymer 0.00 0.00 L1O L1P C43H89O6P1 non-polymer 0.98 0.24 L1P L1R C18Cl2H20N2O3 non-polymer 0.58 0.16 L1R L1X C30F2H22N6O3 non-polymer 0.00 0.00 L1X L20 C24H23N5O1 non-polymer 0.00 0.00 L20 L21 C10H13N5 non-polymer 0.38 0.13 L21 L22 C7H7N5S1 non-polymer 0.00 0.00 L22 L23 C15Cl2H13N5 non-polymer 0.00 0.00 L23 L24 C21H25N5O6 non-polymer 0.68 0.38 L24 L26 C18H21N3O4 non-polymer 0.62 0.12 L26 L27 C35H37N3O6 non-polymer 0.00 0.00 L27 L28 C19H26N4O5S1 non-polymer 0.00 0.00 L28 L29 C46H52N6O10S2 non-polymer 0.42 0.41 L29 L2A C30H51N5O8 L-peptide linking 0.00 0.00 L2A L2C C24H46O5 non-polymer 1.00 0.48 L2C L2D C22Fe1H26N4O4 non-polymer 0.00 0.00 L2D L2E C25H28O6 non-polymer 0.38 0.26 L2E L2G C34H39N9O3 non-polymer 0.00 0.00 L2G L2H C32H34N10O8 non-polymer 0.00 0.00 L2H L2M C21Fe1H27N4O2 non-polymer 0.00 0.00 L2M L2O C7H15N1O3 peptide-like 0.00 0.00 L2O L2P C43H88O3 non-polymer 1.00 0.26 L2P L2S C14H19N1O1S1 non-polymer 0.00 0.00 L2S L2T C36H39N3O5 non-polymer 0.50 0.23 L2T L31 C20H20N2O2 non-polymer 0.00 0.00 L31 L32 Br2C15H9N1O3 non-polymer 0.00 0.00 L32 L33 C20H27N3O4S1 non-polymer 0.62 0.11 L33 L34 C20H21N7O7 non-polymer 0.68 0.35 L34 L35 C17Cl2H16N2O4 non-polymer 0.81 0.28 L35 L36 C15H23N3O3 non-polymer 0.61 0.33 L36 L37 C17H19N7O7 non-polymer 1.00 0.71 L37 L39 C27H41I1O3 non-polymer 0.00 0.00 L39 L3A C9H20N1O4P1 peptide-like 0.69 0.40 L3A L3B C9H7N3S1 non-polymer 0.00 0.00 L3B L3G C32H36N8O3 non-polymer 0.00 0.00 L3G L3L C14H17N3O2 non-polymer 0.00 0.00 L3L L3O C7H15N1O3 L-peptide linking 0.00 0.00 L3O L3P C46H94O11P2 non-polymer 1.00 0.32 L3P L3T C35H40N6O5 non-polymer 0.38 0.04 L3T L3U C16H26N4O9S1 non-polymer 1.00 0.33 L3U L40 C18H23N3O4S1 non-polymer 0.62 0.12 L40 L41 C22H26O7 non-polymer 0.83 0.28 L41 L42 C14H21N1O14S1 non-polymer 1.00 0.87 L42 L43 C14H10N4O2 non-polymer 0.00 0.00 L43 L44 C39H76O5 non-polymer 1.00 0.32 L44 L46 C11H16N2O2 non-polymer 0.62 0.47 L46 L47 C17Cl1H15N2O2 non-polymer 0.00 0.00 L47 L4C C10H14N2O8 non-polymer 0.93 1.00 L4C L4D C17Fe1H21N4O2 non-polymer 0.00 0.00 L4D L4G C30H31N1O5S1 non-polymer 0.00 0.00 L4G L4P C46H95O8P1 non-polymer 1.00 0.35 L4P L4T Br1C40H49N6O9S1 non-polymer 0.38 0.04 L4T L4V C18Cl1H22N1O4 non-polymer 0.00 0.00 L4V L4Y C19H22N4O3 non-polymer 0.00 0.00 L4Y L50 C15H24N1O5P1 non-polymer 0.44 0.27 L50 L51 C30H31N7O1 non-polymer 0.38 0.05 L51 L52 C20H17N3O3 non-polymer 0.32 0.35 L52 L53 C21H17N3O4 non-polymer 0.50 0.36 L53 L54 C15F3H21N1O5P1 non-polymer 0.44 0.24 L54 L55 C26H26N6O3S1 non-polymer 0.00 0.00 L55 L56 C15H24N1O5P1 non-polymer 0.44 0.27 L56 L57 C15Cl2H11N1O3 non-polymer 0.81 0.33 L57 L58 Br1C17H17N2O4 non-polymer 0.50 0.42 L58 L59 C19H18N2O4 non-polymer 0.50 0.40 L59 L5C C26H26N6O3S1 non-polymer 0.00 0.00 L5C L5D C14H12O2 non-polymer 0.00 0.00 L5D L5G C22H17N5O2 non-polymer 0.00 0.00 L5G L5P C11H23N2O9P1 L-peptide linking 1.00 0.83 L5P L5S C15H12N4S1 non-polymer 0.00 0.00 L5S L5T C40H50N6O9S1 non-polymer 0.38 0.04 L5T L5V C6Cl1H4N5 non-polymer 0.00 0.00 L5V L5Y C14F3H12N5O1 non-polymer 0.00 0.00 L5Y L5Z C19F1H20N5 non-polymer 0.00 0.00 L5Z L60 C4H8N2O1 non-polymer 0.00 0.00 L60 L61 C14H19N1O3 non-polymer 0.56 0.83 L61 L62 C15H19N1O3 non-polymer 0.00 0.00 L62 L63 C17H18N2O4 non-polymer 0.50 0.43 L63 L64 C32H32N10O3 non-polymer 0.00 0.00 L64 L66 C22H19N5O4 non-polymer 0.00 0.00 L66 L69 C8H12O8P2 non-polymer 0.00 0.00 L69 L6C C16H15N1O3 non-polymer 0.00 0.00 L6C L6G C21H29N5O3S3 non-polymer 0.35 0.22 L6G L6I C28H30N4O6S1 non-polymer 0.00 0.00 L6I L6S C6H12O9S1 L-saccharide 1.00 0.75 L6S L6Y C19H11N1O4 non-polymer 0.00 0.00 L6Y L71 C13H16N2O2 non-polymer 0.00 0.00 L71 L75 C39H48N4O5 non-polymer 0.39 0.10 L75 L76 C26F7H28N5O2 non-polymer 0.20 0.07 L76 L77 C22Cl1F4H15N2O3S1 non-polymer 0.00 0.00 L77 L79 C25H30O3 non-polymer 0.60 0.29 L79 L7A C17H13N3O2 non-polymer 0.00 0.00 L7A L7G C23H31N5O3S2 non-polymer 0.35 0.21 L7G L7J C21Cl2F3H15N2O3S1 non-polymer 0.00 0.00 L7J L7M C35Cl1H37N4O5S1 non-polymer 0.20 0.07 L7M L7O C22H24N6O2 non-polymer 0.00 0.00 L7O L7P C26F7H24N3O1 non-polymer 0.21 0.19 L7P L7S C13H14N2O3 non-polymer 0.00 0.00 L7S L81 C19H20N2O2 non-polymer 0.00 0.00 L81 L85 C12H10N2O4S1 non-polymer 0.00 0.00 L85 L86 C27Cl1H33N6O2 non-polymer 0.00 0.00 L86 L87 C19H21N5O2 non-polymer 0.00 0.00 L87 L88 C58H66N4O11S2 non-polymer 0.88 0.17 L88 L89 C5H7N3 non-polymer 0.00 0.00 L89 L8A C26F7H26N3O5S1 non-polymer 0.21 0.17 L8A L8B C21H22N4O5 non-polymer 0.00 0.00 L8B L8D C23H24N6O3 non-polymer 0.00 0.00 L8D L8G C23H31N5O3S2 non-polymer 0.35 0.21 L8G L8H C11H11N1O1 non-polymer 0.00 0.00 L8H L8I C23F1H21N4O1 non-polymer 0.00 0.00 L8I L8M C20F1H26N7 non-polymer 0.38 0.07 L8M L8P C8H14N3O6P1 non-polymer 0.00 0.00 L8P L8V C23F3H16N5O2 non-polymer 0.00 0.00 L8V L8W C29Cl1Fe1H17N5O1S1 non-polymer 0.00 0.00 L8W L8Y C19F1H17N6O2 non-polymer 1.00 0.39 L8Y L90 C20H21N7O2 non-polymer 0.00 0.00 L90 L91 C19F1H18N5O3S1 non-polymer 1.00 0.38 L91 L92 C26H26N2O3 non-polymer 0.00 0.00 L92 L94 C18H36N6 non-polymer 0.38 0.62 L94 L96 C28H31N3O3 non-polymer 0.58 0.12 L96 L97 C5Cl1H5N2 non-polymer 0.00 0.00 L97 L98 C10H13N3O2S1 non-polymer 0.00 0.00 L98 L99 C7H10N4O1 non-polymer 0.00 0.00 L99 L9A C18H20N4O4S1 non-polymer 1.00 0.41 L9A L9G C22F2H18N4O1 non-polymer 0.00 0.00 L9G L9J C40F2H54N6O9S1 non-polymer 0.38 0.03 L9J L9L C21F3H19N4O1S1 non-polymer 0.00 0.00 L9L L9M C20H22N6S1 non-polymer 0.00 0.00 L9M L9N C19H20N6S1 non-polymer 0.00 0.00 L9N L9P C40F4H52N6O9S1 non-polymer 0.38 0.03 L9P L9Q C41H80N1O8P1 non-polymer 0.98 0.49 L9Q L9R C44H86N1O8P1 non-polymer 0.98 0.52 L9R L9S C29F1H33N8O2 non-polymer 0.00 0.00 L9S L9X C16H24N4O8S1 non-polymer 1.00 0.24 L9X L9Y C22Cl2H28O4 non-polymer 0.81 0.25 L9Y LA La1 non-polymer 0.00 0.00 LA LA1 C33H36N4O3 non-polymer 0.00 0.00 LA1 LA2 C14H28N2O3S2 L-peptide linking 0.00 0.00 LA2 LA3 C27H26N2O6 non-polymer 0.00 0.00 LA3 LA4 C24H42O21 non-polymer 1.00 1.00 LA4 LA5 C30H52O26 non-polymer 1.00 1.00 LA5 LA6 C10F1H19O7P2 non-polymer 0.50 0.55 LA6 LA7 C7H9N1O2 non-polymer 0.00 0.00 LA7 LA8 C10H15N5O10P2 non-polymer 1.00 0.37 LA8 LA9 C21H33N2O6P1 non-polymer 0.00 0.00 LA9 LAA C4H8N2O4 L-peptide linking 0.00 0.00 LAA LAB C20H29N1O5S1 non-polymer 0.00 0.00 LAB LAC C3H6O3 non-polymer 1.00 1.00 LAC LAD C16H26N7O8P1 non-polymer 1.00 0.53 LAD LAE C12H19N1O4 non-polymer 0.00 0.00 LAE LAF C5F1H7O3 non-polymer 0.00 0.00 LAF LAG C18H32N2O15 D-saccharide 1,4 and 1,4 linking 1.00 0.97 LAG LAH C8H17O8P1 non-polymer 1.00 0.82 LAH LAI C5H10O5 L-saccharide 1.00 1.00 LAI LAJ C18H18N6O3S1 non-polymer 1.00 0.39 LAJ LAK C12H22O11 saccharide 1.00 1.00 LAK LAL C5H11N1O2 L-peptide linking 0.67 0.88 LAL LAM C24H35N1O17S1 non-polymer 1.00 0.77 LAM LAN C30H50O1 non-polymer 0.38 0.16 LAN LAO C5H11O8P1 saccharide 1.00 0.71 LAO LAP C20H43N1O7P1 non-polymer 1.00 0.62 LAP LAQ C18H26N5O8P1S2 non-polymer 1.00 0.47 LAQ LAR C22H31N1O5S1 non-polymer 0.00 0.00 LAR LAS C15H24N2O7S1 non-polymer 1.00 0.88 LAS LAT C12H22O11 saccharide 1.00 1.00 LAT LAU C12H24O2 non-polymer 0.00 0.00 LAU LAV C11H24N2O2 peptide-like 0.59 0.53 LAV LAX C20H34O2 non-polymer 0.38 0.55 LAX LAY C8H15N1O3 L-peptide linking 0.54 0.83 LAY LAZ C9Cl1H10N1O2 non-polymer 0.64 0.46 LAZ LB1 C13H20N2O4 non-polymer 1.00 0.68 LB1 LB2 C12H22O11 D-saccharide 1.00 1.00 LB2 LB4 C27F1H26N7O3 non-polymer 1.00 0.29 LB4 LB5 C26H32N6O3S1 non-polymer 0.00 0.00 LB5 LB7 C20H22N8O3 non-polymer 1.00 0.35 LB7 LB8 C29F3H32N5O3 non-polymer 0.00 0.00 LB8 LBA C31H24N4O7 non-polymer 1.00 0.14 LBA LBB C29H35N5O3 non-polymer 0.00 0.00 LBB LBD C20H27N7 non-polymer 0.38 0.07 LBD LBE C27H33N5O2 non-polymer 0.00 0.00 LBE LBF C33H48O6 non-polymer 0.55 0.59 LBF LBG C20Cl1F2H14N1O5S1 non-polymer 0.97 0.13 LBG LBH C21H23N3O2 non-polymer 0.23 0.31 LBH LBM C45Cl1H51N7O7S1 non-polymer 0.00 0.00 LBM LBP C8H19N2O6P1S1 non-polymer 0.00 0.00 LBP LBR Br1C30H57O5 non-polymer 1.00 0.39 LBR LBS C12H22O11 non-polymer 1.00 1.00 LBS LBT C12H22O11 saccharide 1.00 1.00 LBT LBU C19H16O7 non-polymer 1.00 0.58 LBU LBV C33H37N4O6 non-polymer 0.50 0.09 LBV LBW C33H37N4O6 non-polymer 0.50 0.09 LBW LBY C11H22N2O4 L-peptide linking 0.56 0.29 LBY LC C9H14N3O8P1 RNA linking 1.00 0.48 LC LC0 C23H24N6O4 non-polymer 1.00 0.30 LC0 LC1 C10H8N4O2S2 non-polymer 0.00 0.00 LC1 LC2 C25H33N1O7 non-polymer 0.62 0.18 LC2 LC3 C28H22N2O5 non-polymer 0.00 0.00 LC3 LC4 C15H26N2O2 non-polymer 0.00 0.00 LC4 LC5 C18H24N1O5P1 non-polymer 0.44 0.24 LC5 LC6 C47H46N6O8S2 non-polymer 0.20 0.05 LC6 LC7 C14F1H21N1O5P1 non-polymer 0.44 0.27 LC7 LCA C11H14N5O7P1 RNA linking 1.00 0.46 LCA LCC C11H16N3O8P1 RNA linking 1.00 0.48 LCC LCD C19H16O7 non-polymer 0.25 0.35 LCD LCE C8Cl2H8O4S1 non-polymer 0.00 0.00 LCE LCF C23Cl1H22N1O2 non-polymer 0.00 0.00 LCF LCG C11H14N5O8P1 RNA linking 1.00 0.44 LCG LCH C11H16N3O8P1 DNA linking 1.00 0.48 LCH LCI C18F1H26N6 non-polymer 0.00 0.00 LCI LCK C10H18N2O4 L-peptide linking 0.58 0.31 LCK LCL C11Cl2H12N2O5 non-polymer 0.00 0.00 LCL LCM C18H20N2O6 non-polymer 0.00 0.00 LCM LCN C6H10O5 D-saccharide 1.00 1.00 LCN LCO Cl1O3 non-polymer 0.00 0.00 LCO LCP Cl1O4 non-polymer 0.00 0.00 LCP LCR C21Cl1H25N2O3 non-polymer 0.72 0.30 LCR LCS C11H14N3O7P1 non-polymer 0.00 0.00 LCS LCT C10H8N4O3S1 non-polymer 0.00 0.00 LCT LCV C24H40N7O21P3S1 non-polymer 1.00 0.62 LCV LCX C7H16N2O3 L-peptide linking 0.00 0.00 LCX LCY C5H7N1O2 non-polymer 0.00 0.00 LCY LCZ C6H13N1O1 peptide-like 0.00 0.00 LCZ LD1 C18H13N5O2S1 non-polymer 0.00 0.00 LD1 LD2 C18H15N5O2S1 non-polymer 0.00 0.00 LD2 LD4 C11H17N3 non-polymer 0.00 0.00 LD4 LD6 C18F1H17N4O4S1 non-polymer 1.00 0.36 LD6 LD7 C12F1H12N3O2 non-polymer 0.00 0.00 LD7 LDA C14H31N1O1 non-polymer 0.20 0.19 LDA LDC C9H13N3O4 non-polymer 1.00 0.56 LDC LDD C14H19N1O2 non-polymer 0.00 0.00 LDD LDE C11H22N1O6P1 peptide-like 0.00 0.00 LDE LDG C27H26N5O11P1 non-polymer 1.00 0.20 LDG LDH C8H18N2O2 L-peptide linking 0.00 0.00 LDH LDJ C10H15N3O2S1 non-polymer 0.00 0.00 LDJ LDM C17H36N2O2 non-polymer 0.20 0.14 LDM LDN C25H22N6 non-polymer 0.00 0.00 LDN LDO C6H13N1O3 non-polymer 0.00 0.00 LDO LDP C8H11N1O2 non-polymer 0.00 0.00 LDP LDR C13H9N1O1 non-polymer 0.00 0.00 LDR LDS C13H13N3O2 non-polymer 0.00 0.00 LDS LDT Br1C16F2H12N1O3S1 non-polymer 0.00 0.00 LDT LDU C5H11N1O3 non-polymer 1.00 1.00 LDU LDV C15H20N2 non-polymer 0.00 0.00 LDV LDY C5H10O5 D-saccharide 1.00 1.00 LDY LDZ C26H41N3O5 non-polymer 0.36 0.74 LDZ LE1 C5H11N1O2S1 L-peptide linking 0.55 0.89 LE1 LE2 C9H11N1S1 non-polymer 0.00 0.00 LE2 LE3 C6H13N1O1S2 non-polymer 0.00 0.00 LE3 LE4 C12H19N3O1 non-polymer 0.00 0.00 LE4 LE7 C14F1H16N3O1 non-polymer 0.00 0.00 LE7 LEA C5H10O2 non-polymer 0.00 0.00 LEA LEC C14H18N2O8 non-polymer 1.00 0.62 LEC LED C6H11N1O3 L-peptide linking 0.58 1.00 LED LEE C16H29N3O6S1 peptide-like 0.00 0.00 LEE LEF C6F1H12N1O2 L-peptide linking 0.00 0.00 LEF LEG C15H20O1 non-polymer 0.38 0.12 LEG LEH C21H37N3O3 L-peptide linking 0.00 0.00 LEH LEI C5H11N1O2S1 D-peptide linking 0.55 0.89 LEI LEJ C12F3H10N3O1 non-polymer 0.00 0.00 LEJ LEL C8H6N4O2 non-polymer 0.00 0.00 LEL LEM C7H15N1O1 L-peptide linking 0.00 0.00 LEM LEN C5H13N1 L-peptide COOH carboxy terminus 0.00 0.00 LEN LEO C10H16O1 non-polymer 0.38 0.27 LEO LEP C6H15N2O4P1 peptide-like 0.00 0.00 LEP LER C4H8O4 non-polymer 1.00 1.00 LER LES C10H16N4 non-polymer 0.00 0.00 LES LET C16H26N2O8 L-peptide linking 0.75 0.65 LET LEU C6H13N1O2 L-peptide linking 0.00 0.00 LEU LEU_LEO2 C6H11N1O2 NA 0.00 0.00 LEU_LEO2 LEU_LEO2H C6H12N1O2 NA 0.00 0.00 LEU_LEO2H LEU_LFOH C6H13N1O2 NA 0.00 0.00 LEU_LFOH LEU_LFZW C6H13N1O2 NA 0.00 0.00 LEU_LFZW LEU_LL C6H11N1O1 NA 0.00 0.00 LEU_LL LEU_LSN3 C6H13N1O1 NA 0.00 0.00 LEU_LSN3 LEV C21Cl1H19N4O4 non-polymer 0.00 0.00 LEV LEW C18H19N3O5 non-polymer 1.00 0.46 LEW LEX C7H15N1O2 peptide-like 0.56 0.70 LEX LEY C14F1H16N3O1 non-polymer 0.00 0.00 LEY LF0 C25H27N1O4 non-polymer 0.56 0.17 LF0 LF1 C22H27N5O3 non-polymer 0.00 0.00 LF1 LF2 Br1C22Cl1H21N1O3 non-polymer 0.56 0.18 LF2 LF4 C14F1H16N3O1 non-polymer 0.00 0.00 LF4 LF7 C17H27N3O2 non-polymer 0.00 0.00 LF7 LF8 C27Cl1H30N1O3 non-polymer 0.56 0.16 LF8 LF9 C26Cl1H26N3O3 non-polymer 0.56 0.15 LF9 LFA C20H42 non-polymer 0.00 0.00 LFA LFC C6H12O6 non-polymer 1.00 1.00 LFC LFD C28Cl4H25N5O2 non-polymer 0.00 0.00 LFD LFF C26H34N2O6P1 non-polymer 0.00 0.00 LFF LFG C12H19N3O1 non-polymer 0.00 0.00 LFG LFJ C15H16N2O4 non-polymer 0.00 0.00 LFJ LFM C14F1H14N3O2 non-polymer 0.00 0.00 LFM LFN C13H12N4O2 non-polymer 0.00 0.00 LFN LFP C12Cl1F1H11N3O1 non-polymer 0.00 0.00 LFP LFR C6H12O6 L-saccharide 1.00 1.00 LFR LFS C21F1H22N3O2 non-polymer 0.00 0.00 LFS LFT C21Cl1H22N3O2 non-polymer 0.00 0.00 LFT LFV C28Cl2F4H19N5O3 non-polymer 0.00 0.00 LFV LFX C18F1H20N3O4 non-polymer 0.00 0.00 LFX LFY C13F1H14N3O1 non-polymer 0.00 0.00 LFY LFZ C16F6H10O2 non-polymer 0.00 0.00 LFZ LG C10H14N5O8P1 RNA linking 1.00 0.42 LG LG0 C28F3H29N4O2 non-polymer 0.00 0.00 LG0 LG1 C22F2H17N2 non-polymer 0.00 0.00 LG1 LG2 C24H29N1O2 non-polymer 0.00 0.00 LG2 LG3 C4H6N4 non-polymer 0.00 0.00 LG3 LG4 C6H8N2 non-polymer 0.00 0.00 LG4 LG5 C6H10N2 non-polymer 0.00 0.00 LG5 LG6 C6H13O10P1 non-polymer 1.00 0.76 LG6 LG7 C17H13N3O3 non-polymer 1.00 0.43 LG7 LG8 C28H28N4O2 non-polymer 0.20 0.09 LG8 LG9 C9H17N1O5 non-polymer 1.00 1.00 LG9 LGA C4H5N3 non-polymer 0.00 0.00 LGA LGB C15Cl1F3H13N3O2 non-polymer 0.00 0.00 LGB LGC C6H10O6 saccharide 1.00 1.00 LGC LGD C14F9H9N2O1 non-polymer 0.00 0.00 LGD LGE C18Cl2H17N3O3 non-polymer 0.64 0.23 LGE LGF C27F2H24N6O5 non-polymer 0.23 0.20 LGF LGG C34H51N7O11 non-polymer 0.00 0.00 LGG LGH C22Cl1H21N4O5 non-polymer 0.00 0.00 LGH LGJ C26F4H18N6O4S1 non-polymer 0.00 0.00 LGJ LGK C28F3H21N6O4S1 non-polymer 0.00 0.00 LGK LGL C32F3H28N7O2 non-polymer 0.00 0.00 LGL LGM C32H31N7O2 non-polymer 0.00 0.00 LGM LGN C62H117N1O18 non-polymer 1.00 0.53 LGN LGP C9H14N5O7P1 DNA linking 1.00 0.27 LGP LGQ C18F3H13N6 non-polymer 0.00 0.00 LGQ LGS C15H28N2O5 non-polymer 1.00 0.55 LGS LGT C6H10O8 non-polymer 0.98 1.00 LGT LGU C6H10O7 L-saccharide 1.00 1.00 LGU LGV C19F1H17N8O1 non-polymer 0.00 0.00 LGV LGW C22F1H21N8O1 non-polymer 0.00 0.00 LGW LGX C22F1H21N8O1 non-polymer 0.00 0.00 LGX LGY C10H18N2O3 L-peptide linking 0.00 0.00 LGY LGZ C36H39N3O7 non-polymer 0.00 0.00 LGZ LH3 C32H34N4O6S1 non-polymer 0.97 0.19 LH3 LH4 C36H44N6O8S3 non-polymer 0.00 0.00 LH4 LH7 C16F1H18N3O3S1 non-polymer 0.00 0.00 LH7 LHA C37H65N7O16 non-polymer 1.00 0.70 LHA LHB C17H23N9O5 non-polymer 1.00 0.32 LHB LHC C8H12N4O3 L-peptide linking 0.00 0.00 LHC LHD C18H26N9O5 non-polymer 1.00 0.31 LHD LHE C12H26N2O3 peptide-like 0.00 0.00 LHE LHF Br1C24H28N9O5 non-polymer 1.00 0.26 LHF LHG C38H75O10P1 non-polymer 1.00 0.43 LHG LHI C93H155N7O23P2S1 non-polymer 1.00 0.83 LHI LHJ C24F2H20N4O2 non-polymer 0.00 0.00 LHJ LHL C25Cl2H28N6O2 non-polymer 0.50 0.23 LHL LHM C15F1H16N3O1 non-polymer 0.00 0.00 LHM LHO C15H18N1O6P1S1 DNA linking 1.00 0.38 LHO LHP C27H44O4 non-polymer 0.75 0.16 LHP LHS C12F1H12N3O3 non-polymer 0.64 0.32 LHS LHU C9H13N2O9P1 RNA linking 1.00 0.48 LHU LHV C5H10O3 peptide-like 0.80 1.00 LHV LHY C10H12N2O4 non-polymer 0.00 0.00 LHY LI Li1 non-polymer 0.00 0.00 LI LI0 C36H40N4O6S2 non-polymer 0.44 0.10 LI0 LI1 C42H86O3 non-polymer 1.00 0.27 LI1 LI2 C26F1H25N4O2 non-polymer 0.00 0.00 LI2 LI3 C19F1H18N3O2 non-polymer 0.00 0.00 LI3 LI4 C16H14N2O1 non-polymer 0.00 0.00 LI4 LI5 C7H13O6P1 non-polymer 0.75 0.79 LI5 LI6 C10H9N1O3 non-polymer 1.00 0.93 LI6 LI7 C14H10N2O2 non-polymer 0.00 0.00 LI7 LI8 Br1C23H31N8O3 non-polymer 0.38 0.06 LI8 LI9 C27F1H29N6O1 non-polymer 0.00 0.00 LI9 LIA C18F2H21N5O4S1 non-polymer 1.00 0.37 LIA LIB C23Cl1H26N5O3 non-polymer 0.50 0.22 LIB LIC C24Cl1H28N5O3 non-polymer 0.50 0.21 LIC LID C19Cl1F2H15N6 non-polymer 0.00 0.00 LID LIE C20F3H16N5O1 non-polymer 0.36 0.14 LIE LIF C27F4H19N5O3 non-polymer 0.00 0.00 LIF LIG C15H11N3 non-polymer 0.00 0.00 LIG LIH C18H17N7 non-polymer 0.00 0.00 LIH LII C18H19N5O2 non-polymer 0.25 0.08 LII LIJ C36H49N3O7S1 non-polymer 0.00 0.00 LIJ LIK C12H20O2 non-polymer 0.58 0.43 LIK LIL C28H54O4 non-polymer 0.62 0.38 LIL LIM C15H28O3 non-polymer 0.00 0.00 LIM LIN C4H6O3 non-polymer 0.75 1.00 LIN LIO C33H67N1O8P1 non-polymer 0.98 0.51 LIO LIP C6H11O9P1 non-polymer 1.00 0.75 LIP LIQ C33F2H42N4O5S1 non-polymer 0.00 0.00 LIQ LIR C19H21N6O2 non-polymer 0.00 0.00 LIR LIS C5H9N1O3 non-polymer 0.00 0.00 LIS LIT C8H5N3O6S1 non-polymer 0.00 0.00 LIT LIU C30H36N4O5S2 non-polymer 0.44 0.12 LIU LIV C29H55N5O18 non-polymer 1.00 1.00 LIV LIW C40H41N5O5S2 non-polymer 0.44 0.10 LIW LIX C32H38N6O5S1 non-polymer 0.56 0.11 LIX LIY C25H31N5O1 non-polymer 0.56 0.16 LIY LIZ C30H45N5O13S1 non-polymer 0.87 0.73 LIZ LJ1 C16H16O1 non-polymer 0.20 0.29 LJ1 LJ2 Br2C14H10O1 non-polymer 0.20 0.29 LJ2 LJ3 Br2C12H8O1 non-polymer 0.00 0.00 LJ3 LJ4 Br2C12H8O2 non-polymer 0.00 0.00 LJ4 LJ5 Br2C13H9N1O2 non-polymer 0.00 0.00 LJ5 LJ7 C14F1H16N3O1 non-polymer 0.36 0.21 LJ7 LJ9 C21H24N4 non-polymer 0.00 0.00 LJ9 LJA C9H11N3O2 non-polymer 0.00 0.00 LJA LJD C12Cl1H12N3O1 non-polymer 0.00 0.00 LJD LJE C24F3H17N4O2 non-polymer 0.00 0.00 LJE LJF C29F1H21N6O2 non-polymer 0.00 0.00 LJF LJG C24H39N5O4S2 non-polymer 0.00 0.00 LJG LJH C30H35N5O4S2 non-polymer 0.00 0.00 LJH LJJ C10H17N3O1 non-polymer 0.00 0.00 LJJ LJM C13F1H13N2O1S1 non-polymer 0.00 0.00 LJM LJP C16H20N4O3S1 non-polymer 0.00 0.00 LJP LJS C13H18N2O10P2 non-polymer 0.93 0.26 LJS LJV C17Cl1H13N4O1 non-polymer 0.00 0.00 LJV LJY C18Cl1H14N3O2 non-polymer 0.00 0.00 LJY LJZ C28Cl2H24N6O4 non-polymer 0.00 0.00 LJZ LK0 C39H53N5O7 peptide-like 0.38 0.12 LK0 LK1 C19H23N1O7S1 non-polymer 0.68 0.36 LK1 LK2 C19H23N1O7S1 non-polymer 0.68 0.36 LK2 LK3 C20H25N1O7S1 non-polymer 0.68 0.34 LK3 LK4 C23H20N2O7S1 non-polymer 0.68 0.30 LK4 LK5 C17H27N1O4 non-polymer 0.00 0.00 LK5 LK7 C14H19N1O4 non-polymer 0.50 0.26 LK7 LKA C6H13N1O4S1 non-polymer 1.00 1.00 LKA LKB C20H13N5O1 non-polymer 0.00 0.00 LKB LKC C11H15N3O5 RNA linking 1.00 0.58 LKC LKD C29Cl1F2H28N3O2S1 non-polymer 0.00 0.00 LKD LKF C18H24N6O2 non-polymer 0.50 0.23 LKF LKG C18H14N4O1 non-polymer 0.00 0.00 LKG LKJ C53H60N8O6 non-polymer 0.50 0.15 LKJ LKM C23F1H19N2O7S1 non-polymer 0.68 0.29 LKM LKP C18F1H21N2O2 non-polymer 0.00 0.00 LKP LKS C14H20N2O4S1 non-polymer 1.00 0.57 LKS LL1 C12H9N3 non-polymer 0.00 0.00 LL1 LL2 C10H10N2S1 non-polymer 0.00 0.00 LL2 LL3 C19H19N3O2S1 non-polymer 0.00 0.00 LL3 LL4 C17H23N3O2S1 non-polymer 0.00 0.00 LL4 LL5 C16H22N4O2S1 non-polymer 0.00 0.00 LL5 LL8 C15H14O3 non-polymer 0.56 0.33 LL8 LL9 C10Cl1H14N1O4S1 non-polymer 0.00 0.00 LL9 LLA C9H10O3 non-polymer 0.00 0.00 LLA LLB C29H29N1O4S1 non-polymer 0.00 0.00 LLB LLC C27H25N1O4S1 non-polymer 0.00 0.00 LLC LLF C10F2H13N2O5P1 non-polymer 0.00 0.00 LLF LLG C14H15N1O2 non-polymer 0.45 0.47 LLG LLH C5H9N1O7 non-polymer 0.97 0.92 LLH LLI C27H36N4O4 non-polymer 0.00 0.00 LLI LLJ C32H44N4O2 non-polymer 0.00 0.00 LLJ LLK C15H14O2 non-polymer 0.50 0.29 LLK LLL C19H39N5O7 non-polymer 1.00 0.68 LLL LLM C30H42O7 non-polymer 0.62 0.30 LLM LLN C28H38N4O5 non-polymer 0.00 0.00 LLN LLO C12H26N2O3 L-peptide linking 0.60 0.35 LLO LLP C14H22N3O7P1 L-peptide linking 0.00 0.00 LLP LLS C19Cl2H12N4O3 non-polymer 0.00 0.00 LLS LLT C10H14N2O5 non-polymer 1.00 1.00 LLT LLX C19H16N2O1 non-polymer 0.00 0.00 LLX LLY C9H16N2O6 L-peptide linking 0.70 0.47 LLY LLZ C21H28N2O4 L-peptide linking 0.44 0.22 LLZ LM2 C19H34N2O15 D-saccharide 1,4 and 1,4 linking 1.00 0.94 LM2 LM3 C21H18N4 non-polymer 0.20 0.12 LM3 LM4 C21H18N4 non-polymer 0.20 0.12 LM4 LM5 C13H18N2O3 non-polymer 1.00 0.61 LM5 LM7 C14H9N3O5 non-polymer 0.00 0.00 LM7 LM8 C21H34O2 non-polymer 0.39 0.70 LM8 LMA C43H74O15 non-polymer 1.00 0.19 LMA LMB C33H52O7 non-polymer 0.55 0.57 LMB LMC C18H21N1O1 non-polymer 0.50 0.25 LMC LMD C26H50O11 non-polymer 1.00 0.62 LMD LME C6H11N1O4 L-peptide linking 0.65 1.00 LME LMG C45H86O10 non-polymer 1.00 0.45 LMG LMJ Br1C21Cl1H23N3O1 non-polymer 0.00 0.00 LMJ LML C7H12O4 non-polymer 0.70 0.82 LML LMM C17F1H17N8S1 non-polymer 0.00 0.00 LMM LMN C47H88O22 non-polymer 1.00 0.77 LMN LMP C17H27N3O6S1 non-polymer 0.58 0.37 LMP LMQ C6H12N2O3 L-peptide linking 0.46 0.82 LMQ LMR C4H6O5 non-polymer 0.88 1.00 LMR LMS C10H14N6O6S1 RNA linking 1.00 0.43 LMS LMT C24H46O11 D-saccharide 1.00 0.66 LMT LMU C24H46O11 D-saccharide 1.00 0.66 LMU LMZ C9H14N4O7 non-polymer 1.00 0.95 LMZ LN0 C18H32N2O6S1 non-polymer 1.00 0.44 LN0 LN1 C22H22N2O9S1 non-polymer 0.59 0.38 LN1 LN5 C8H17N3O2 non-polymer 0.43 0.92 LN5 LN6 C10H21N3O2 non-polymer 0.43 0.67 LN6 LN7 C10H23N3O2 non-polymer 0.00 0.00 LN7 LNA C18H31N1O4 non-polymer 0.33 0.39 LNA LNB C18H31N1O4 non-polymer 0.33 0.39 LNB LNC C25H33N7O17P2 non-polymer 1.00 0.45 LNC LND C13H16N5O2 non-polymer 0.00 0.00 LND LNE C8H18N2O1 L-peptide linking 0.00 0.00 LNE LNG C14H26O2 non-polymer 0.67 0.50 LNG LNH C23H21N7O3 non-polymer 0.00 0.00 LNH LNK C5H12 non-polymer 0.00 0.00 LNK LNL C18H30O2 non-polymer 0.42 0.60 LNL LNM C7H16N2O1 L-peptide linking 0.00 0.00 LNM LNN C14H12O3 non-polymer 0.00 0.00 LNN LNO C6H14N2O2 non-polymer 0.00 0.00 LNO LNP C33H54O1 non-polymer 0.00 0.00 LNP LNQ C14H24N2O5 non-polymer 0.88 0.62 LNQ LNR C8H11N1O3 non-polymer 0.00 0.00 LNR LNT C10H22N2O5 peptide-like 0.72 0.82 LNT LNV C13H22N4O7 non-polymer 1.00 0.83 LNV LNW C16H14O4 non-polymer 0.00 0.00 LNW LNX C14H12O4S1 non-polymer 0.00 0.00 LNX LNY C17H14O5S1 non-polymer 0.62 0.09 LNY LNZ C17H17N1O5S2 non-polymer 0.62 0.32 LNZ LO1 C9H10N2O3 non-polymer 0.00 0.00 LO1 LO2 C22Cl1F6H24N1O3 non-polymer 0.21 0.21 LO2 LO3 C42H70O12 non-polymer 0.00 0.00 LO3 LO8 C16H23N3O2 non-polymer 0.00 0.00 LO8 LOA C26H42O4 non-polymer 0.00 0.00 LOA LOB C22H27N1O2 non-polymer 0.00 0.00 LOB LOC C22H25N1O6 non-polymer 0.00 0.00 LOC LOD C23Cl1H24N1O3 non-polymer 0.00 0.00 LOD LOF C9H10O3 non-polymer 0.00 0.00 LOF LOG C8H14N2O6 saccharide 1.00 0.94 LOG LOH C6H14N2O4 non-polymer 0.83 0.92 LOH LOI C15H16N6O1S2 non-polymer 0.00 0.00 LOI LOJ C21Cl2H21N1O3 non-polymer 0.00 0.00 LOJ LOL C6H15N1O2 peptide-like 0.00 0.00 LOL LOM C3H3N1S1 non-polymer 0.00 0.00 LOM LON C21H25N1O5 non-polymer 0.00 0.00 LON LOP C35H68N1O8P1 non-polymer 0.98 0.56 LOP LOR C16Cl1H18N3O4 non-polymer 0.00 0.00 LOR LOS C23H19N6Os1 non-polymer 0.00 0.00 LOS LOV C12H25N1O3 peptide-like 0.00 0.00 LOV LOX C5H10N2O4 D-saccharide 1.00 0.91 LOX LOZ C22H24N2O5 non-polymer 0.00 0.00 LOZ LP1 C45H58N6O7 non-polymer 0.00 0.00 LP1 LP2 C45H58N6O7 non-polymer 0.00 0.00 LP2 LP3 C26H55N1O7P1 non-polymer 1.00 0.51 LP3 LP4 C34H66N1O12P1 non-polymer 1.00 0.38 LP4 LP5 C34H66N1O12P1 non-polymer 1.00 0.38 LP5 LP6 C11H22N2O2 L-peptide linking 0.00 0.00 LP6 LP7 C11H12N2O5 non-polymer 1.00 0.89 LP7 LP8 C13H14N2O3 non-polymer 0.00 0.00 LP8 LP9 C21H23N3O6 non-polymer 1.00 0.53 LP9 LPA C8H14O2S2 non-polymer 0.00 0.00 LPA LPB C8H14O2S2 non-polymer 0.00 0.00 LPB LPC C22H47N1O7P1 non-polymer 1.00 0.58 LPC LPD C5H10N2O1 L-peptide linking 0.00 0.00 LPD LPE C26H57N1O6P1 non-polymer 1.00 0.50 LPE LPF C18F3H23N2O3 non-polymer 0.00 0.00 LPF LPG C4H5N1O2 L-peptide linking 0.43 0.86 LPG LPH C5H7N1O2 L-peptide linking 0.44 0.88 LPH LPI C13H21N2O7P1S1 non-polymer 0.00 0.00 LPI LPJ FE6S7 non-polymer 0.00 0.00 LPJ LPK C6H12O6 L-saccharide 1.00 1.00 LPK LPL C13H27N1O3 L-peptide linking 0.00 0.00 LPL LPM C8H17N1O1S2 non-polymer 0.00 0.00 LPM LPN C35Cl3H41N2O4 non-polymer 0.56 0.11 LPN LPO C33Cl3H38N3O5 non-polymer 0.56 0.11 LPO LPP C35H69O8P1 non-polymer 0.98 0.32 LPP LPQ C34Cl3H39N4O3 non-polymer 0.00 0.00 LPQ LPR C21H31N3O5 non-polymer 0.00 0.00 LPR LPS C21H44N1O9P1 L-peptide linking 1.00 0.56 LPS LPT C6H16N2Pt1 non-polymer 0.00 0.00 LPT LPW C21H19N1O5S1 non-polymer 0.00 0.00 LPW LPX C21H44N1O7P1 non-polymer 1.00 0.50 LPX LPY C22H43O12P1 non-polymer 1.00 0.63 LPY LQ5 C24F3H26N7O2 non-polymer 0.00 0.00 LQ5 LQ7 C23H26N2O2S1 non-polymer 0.00 0.00 LQ7 LQA C25H23N3O4 non-polymer 0.58 0.12 LQA LQB C20H20N4O2 non-polymer 0.00 0.00 LQB LQD C23H29N3O1 non-polymer 0.20 0.11 LQD LQE C23H29N1O2 non-polymer 0.00 0.00 LQE LQF C22H20N6O1 non-polymer 0.00 0.00 LQF LQG C12H9N5O1 non-polymer 0.00 0.00 LQG LQH C17F1H13N2 non-polymer 0.00 0.00 LQH LQJ C20H24N10O12P2 non-polymer 1.00 0.45 LQJ LQQ C24H29N7O2 non-polymer 0.62 0.09 LQQ LQT C15H25N5O2 non-polymer 0.33 0.32 LQT LQY C31H36N4O4 non-polymer 0.00 0.00 LQY LQZ C14H22N2O1 non-polymer 0.00 0.00 LQZ LR1 Br1C13H18N1O4 non-polymer 1.00 0.58 LR1 LRB C50H57N7O1Ru1 non-polymer 0.00 0.00 LRB LRD C19Cl2H12O5S1 non-polymer 0.00 0.00 LRD LRG C21H18O3 non-polymer 0.00 0.00 LRG LRH C6H12O5 non-polymer 1.00 1.00 LRH LRI C12Cl1H13N4S1 non-polymer 0.00 0.00 LRI LRK C11H23N2O9P1 L-peptide linking 0.73 0.43 LRK LRM C56H79N20O38P6 non-polymer 1.00 0.42 LRM LRO C14H14N2O4 non-polymer 1.00 0.65 LRO LRP C24H36N10O17P3 non-polymer 1.00 0.37 LRP LRS C25H30N8O3 non-polymer 0.00 0.00 LRS LRU C23H19N6Ru1 non-polymer 0.00 0.00 LRU LRV C38H62O18 non-polymer 1.00 0.61 LRV LRY C8H16N1O9P1 non-polymer 1.00 0.79 LRY LS1 C16H15N3O3S1 non-polymer 0.00 0.00 LS1 LS2 C17H15N5O3S2 non-polymer 0.00 0.00 LS2 LS3 C20H15N3O4S1 non-polymer 0.00 0.00 LS3 LS4 C18H14N4O3S2 non-polymer 0.00 0.00 LS4 LS5 C16H15N5O3S1 non-polymer 0.00 0.00 LS5 LS7 C21H23N5O3 non-polymer 0.00 0.00 LS7 LS8 C19H17N3O4S1 non-polymer 0.00 0.00 LS8 LSA C7H5N1O3S1 non-polymer 0.00 0.00 LSA LSB C29H43N1O6 non-polymer 0.00 0.00 LSB LSC C26H53N1O7P1 non-polymer 1.00 0.69 LSC LSD C34H54O8 non-polymer 0.00 0.00 LSD LSE C18H36O10Se1Si1 non-polymer 1.00 0.73 LSE LSG C16F1H17I1N3O4 non-polymer 1.00 0.64 LSG LSH C11H16N3O10P1S1 DNA linking 1.00 0.73 LSH LSI C22H22N2O5Ru1S1 non-polymer 0.00 0.00 LSI LSJ C25H25N1O4S1 non-polymer 0.00 0.00 LSJ LSM C24H46O10Se1 D-saccharide 1.00 0.63 LSM LSN C22Cl1H23N6O1 non-polymer 0.00 0.00 LSN LSO C16H26N2O9S1 L-peptide linking 0.56 0.21 LSO LSP C7H17N1O7P1 non-polymer 1.00 0.88 LSP LSR C15H24 non-polymer 0.50 0.27 LSR LSS C16H25N7O7S1 non-polymer 1.00 0.32 LSS LST C12H18N3O10P1S1 DNA linking 1.00 0.70 LST LSU C15H24N4O9S1 non-polymer 1.00 0.34 LSU LSV C21H23N5O4 non-polymer 0.00 0.00 LSV LSW C27H34N4O5 non-polymer 0.48 0.53 LSW LSX C12H18N1O6P1 non-polymer 0.50 0.30 LSX LT1 C9Cl1H11 non-polymer 0.00 0.00 LT1 LT2 C8H7N1O3 non-polymer 0.00 0.00 LT2 LT3 C12F3H12N1 non-polymer 0.00 0.00 LT3 LT4 C8H11N1O3 non-polymer 0.00 0.00 LT4 LT5 C9F3H10N1O1 non-polymer 0.00 0.00 LT5 LT6 C23F1H29N2O4 non-polymer 0.54 0.47 LT6 LTA C10H22N2O3 L-peptide linking 0.60 0.47 LTA LTB C20H32O4 non-polymer 0.46 0.71 LTB LTC C39H70N2O13 non-polymer 1.00 0.81 LTC LTD C25H40N2O6S1 non-polymer 0.38 0.18 LTD LTF C15H20N2O5 non-polymer 0.00 0.00 LTF LTG C6H12O6 non-polymer 1.00 1.00 LTG LTH C4H8O5 non-polymer 0.98 1.00 LTH LTI C16H18N4O2S2 non-polymer 1.00 0.38 LTI LTJ C20F1H25N4O2 non-polymer 0.50 0.07 LTJ LTL C8H16O2 non-polymer 0.55 0.60 LTL LTM C8H14N2O5 saccharide 1.00 0.80 LTM LTN C11H13N3O1 non-polymer 0.00 0.00 LTN LTP C9H15N3O10P2 DNA linking 1.00 0.38 LTP LTQ C16H21N5O4S2 non-polymer 0.00 0.00 LTQ LTR C11H12N2O2 L-peptide linking 0.00 0.00 LTR LTS C21F3H16N5O3S1 non-polymer 0.00 0.00 LTS LTT C8H11N3O4 non-polymer 0.00 0.00 LTT LTX C30H47N3O9S1 non-polymer 0.38 0.14 LTX LTY C22H23N7O1 non-polymer 0.00 0.00 LTY LTZ C36Cl2H43N5O3S1 non-polymer 0.00 0.00 LTZ LU Lu1 non-polymer 0.00 0.00 LU LU0 C6H14N2O4S1 non-polymer 0.00 0.00 LU0 LU1 C26F1H24N5O5 non-polymer 0.42 0.27 LU1 LU2 C15H10O6 non-polymer 0.00 0.00 LU2 LU7 C29H52N10O6 non-polymer 0.00 0.00 LU7 LU8 C27H32N2O3 non-polymer 0.00 0.00 LU8 LUD C20H21N7O7 non-polymer 0.68 0.35 LUD LUF C25H38O3 non-polymer 0.38 0.36 LUF LUG C16F3H13I1N5O1 non-polymer 0.00 0.00 LUG LUI C22H25N3O3 non-polymer 0.00 0.00 LUI LUJ C26H51N5O13 non-polymer 1.00 0.98 LUJ LUM C12H10N4O2 non-polymer 0.00 0.00 LUM LUN C25F1H27N4O1 non-polymer 0.00 0.00 LUN LUO C22H22N6O3 non-polymer 0.00 0.00 LUO LUR C15Cl1F1H13N1O2 non-polymer 0.00 0.00 LUR LUT C40H56O2 non-polymer 0.38 0.19 LUT LUV C31H34N4O3S1 non-polymer 0.00 0.00 LUV LUX C40H72O2 non-polymer 0.40 0.12 LUX LUY C15H15N3 non-polymer 0.00 0.00 LUY LUZ C6H4N4O2 non-polymer 0.00 0.00 LUZ LV4 C8F3H7N2O1S1 non-polymer 0.00 0.00 LV4 LVA C24H38O6 non-polymer 0.65 0.23 LVA LVG C4H7N1O2 L-peptide linking 0.50 1.00 LVG LVJ C27Cl2F3H32N5O4 non-polymer 0.69 0.24 LVJ LVN C5H9N1O3 L-peptide linking 0.59 1.00 LVN LVO C21H36N4O8 non-polymer 1.00 0.76 LVO LVS C28H43I1N4O8S1 non-polymer 0.50 0.07 LVS LVV C12H17N1O2S1 non-polymer 0.00 0.00 LVV LVY C13H13N3O3 non-polymer 1.00 0.47 LVY LVZ C9H19N1O11S2 D-saccharide 1.00 0.65 LVZ LW1 C5H4O1S1 non-polymer 0.00 0.00 LW1 LW2 C8H10O3S1 non-polymer 0.75 0.75 LW2 LW4 C25H22N6O2 non-polymer 0.00 0.00 LW4 LWG C10Cl2H4N2O1S1 non-polymer 0.00 0.00 LWG LWH C21H20N6O1 non-polymer 0.00 0.00 LWH LWJ C20H16N6O1 non-polymer 0.00 0.00 LWJ LWM C11H18N5O7P1 DNA linking 1.00 0.75 LWM LWS C15F1H15N2O1 non-polymer 0.00 0.00 LWS LWW C21H17N3O3S1 non-polymer 0.00 0.00 LWW LWY C6H12N1O4P1 L-peptide NH3 amino terminus 0.00 0.00 LWY LX0 C24H24N6O2 non-polymer 0.00 0.00 LX0 LX1 C5H13O7P1 non-polymer 1.00 0.69 LX1 LX2 C35Cl1F3H32N2O3 non-polymer 0.00 0.00 LX2 LX3 C28H42O3 non-polymer 0.55 0.19 LX3 LX8 C21H24O5 non-polymer 0.67 0.62 LX8 LX9 C26H21N5O1 non-polymer 0.00 0.00 LX9 LXB C8H15N1O6 D-saccharide 1.00 1.00 LXB LXC C5H10O5 L-saccharide 1.00 1.00 LXC LXG C18H19N3O1S1 non-polymer 0.35 0.22 LXG LXL C24H30N6O2 non-polymer 0.00 0.00 LXL LXN C4H2N2O4 non-polymer 1.00 0.90 LXN LXP C5H13O8P1 non-polymer 1.00 0.71 LXP LXT C38H44N4O3 non-polymer 0.00 0.00 LXT LXV Br2C12H15N3O2S1 non-polymer 0.00 0.00 LXV LXX C20H13N5 non-polymer 0.00 0.00 LXX LXZ C8H15N1O6 D-saccharide 1.00 1.00 LXZ LY0 C6H14N1O4P1 non-polymer 0.69 0.50 LY0 LY1 C10Cl2H11N1 non-polymer 0.00 0.00 LY1 LY2 C19H17N1O3 non-polymer 0.00 0.00 LY2 LY3 C20H21N9O4 non-polymer 0.55 0.27 LY3 LY4 C28H28N4O3 non-polymer 0.20 0.09 LY4 LY5 C16F2H24N2O4 non-polymer 0.00 0.00 LY5 LY7 C19H22N2O2S1 non-polymer 0.00 0.00 LY7 LY9 C5H8O7 non-polymer 0.97 1.00 LY9 LYA C20H21N5O6 non-polymer 0.68 0.39 LYA LYB C35H42N8O15 non-polymer 0.68 0.67 LYB LYC C40H56 non-polymer 0.38 0.60 LYC LYD C20H23N5O4 non-polymer 0.59 0.34 LYD LYF C13H22N2O7 L-peptide linking 0.93 0.59 LYF LYG C15Cl1H14N3O2S1 non-polymer 0.00 0.00 LYG LYH C6H12N2O2 L-peptide linking 0.50 0.90 LYH LYJ C6H16N2O1 non-polymer 0.00 0.00 LYJ LYK C6H16N2O2 peptide-like 0.00 0.00 LYK LYL C10H12O1 non-polymer 0.31 0.36 LYL LYM C7H16N2O1 L-peptide linking 0.00 0.00 LYM LYN C6H16N3O1 L-peptide linking 0.00 0.00 LYN LYO C6H14N2O3 L-peptide linking 0.00 0.00 LYO LYP C10H22N2O2 non-polymer 0.00 0.00 LYP LYR C26H42N2O2 L-peptide linking 0.38 0.13 LYR LYS C6H15N2O2 L-peptide linking 0.00 0.00 LYS LYS_LEO2 C6H13N2O2 NA 0.00 0.00 LYS_LEO2 LYS_LEO2H C6H14N2O2 NA 0.00 0.00 LYS_LEO2H LYS_LEO2H_DHZ3 C6H13N2O2 NA 0.00 0.00 LYS_LEO2H_DHZ3 LYS_LEO2_DHZ3 C6H12N2O2 NA 0.00 0.00 LYS_LEO2_DHZ3 LYS_LFOH C6H15N2O2 NA 0.00 0.00 LYS_LFOH LYS_LFOH_DHZ3 C6H14N2O2 NA 0.00 0.00 LYS_LFOH_DHZ3 LYS_LFZW C6H15N2O2 NA 0.00 0.00 LYS_LFZW LYS_LFZW_DHZ3 C6H14N2O2 NA 0.00 0.00 LYS_LFZW_DHZ3 LYS_LL C6H13N2O1 NA 0.00 0.00 LYS_LL LYS_LL_DHZ3 C6H12N2O1 NA 0.00 0.00 LYS_LL_DHZ3 LYS_LSN3 C6H15N2O1 NA 0.00 0.00 LYS_LSN3 LYS_LSN3_DHZ3 C6H14N2O1 NA 0.00 0.00 LYS_LSN3_DHZ3 LYT C4H11N1 non-polymer 0.00 0.00 LYT LYU C12H26N2O2 L-peptide linking 0.00 0.00 LYU LYV C9H19N4O8P1 L-peptide linking 0.48 0.82 LYV LYW C6H13N1O1 non-polymer 0.00 0.00 LYW LYX C30H52N9O19P3S1 L-peptide linking 1.00 0.37 LYX LYZ C6H14N2O3 L-peptide linking 0.00 0.00 LYZ LZ0 C11H17N3O6 non-polymer 1.00 0.55 LZ0 LZ1 C7H6N2 non-polymer 0.00 0.00 LZ1 LZ2 C10H9N1O3S1 non-polymer 0.00 0.00 LZ2 LZ3 C14H12N4O3S1 non-polymer 0.00 0.00 LZ3 LZ4 C10Cl1H9N4O2S1 non-polymer 0.00 0.00 LZ4 LZ5 C10H9N3O1 non-polymer 0.00 0.00 LZ5 LZ6 C24Cl1H35N4O8S1 non-polymer 0.00 0.00 LZ6 LZ7 C12F1H11N4O2 non-polymer 0.00 0.00 LZ7 LZ8 C17F1H13N4O2 non-polymer 0.00 0.00 LZ8 LZ9 C17F3H11N4O2 non-polymer 0.00 0.00 LZ9 LZA C16F2H17N5O2 non-polymer 0.00 0.00 LZA LZB C10Cl1H10N5 non-polymer 0.36 0.25 LZB LZC C16H23N7 non-polymer 0.36 0.17 LZC LZD C16F2H17N5O2 non-polymer 0.00 0.00 LZD LZE C16Cl2H17N5O2 non-polymer 0.00 0.00 LZE LZF C23Cl1F1H22N4O4S1 non-polymer 0.00 0.00 LZF LZG C22Cl1F2H19N4O3S1 non-polymer 0.00 0.00 LZG LZH C23Cl1F1H22N4O4S1 non-polymer 0.00 0.00 LZH LZI C27Cl1F1H27N5O4S1 non-polymer 0.00 0.00 LZI LZJ Br2C13H9N5 non-polymer 0.00 0.00 LZJ LZK C15H15N5O2 non-polymer 0.00 0.00 LZK LZL C17H15N5 non-polymer 0.00 0.00 LZL LZM C7H4N4 non-polymer 0.00 0.00 LZM LZP C38H34N2O8 non-polymer 0.50 0.33 LZP LZQ C24H21N1O4 non-polymer 0.94 0.28 LZQ LZR C25H26N4O4 non-polymer 0.00 0.00 LZR LZS C27F3H32N5O5S1 non-polymer 0.00 0.00 LZS LZT C34H39N3O6 non-polymer 0.00 0.00 LZT LZU C21H26N2S2 non-polymer 0.00 0.00 LZU LZZ C21H32O3 non-polymer 0.00 0.00 LZZ M00 C15H19N3O3 non-polymer 0.50 0.29 M00 M01 C11H16N6 non-polymer 0.00 0.00 M01 M02 C10H14N6 non-polymer 0.00 0.00 M02 M03 C18Cl1H20N5 non-polymer 0.00 0.00 M03 M04 C19Cl1H22N5 non-polymer 0.00 0.00 M04 M05 C18Cl1H21N5 non-polymer 0.00 0.00 M05 M06 C20Cl1H14N5O2 non-polymer 0.00 0.00 M06 M07 C15H19N1O7 non-polymer 1.00 0.61 M07 M08 C14H17N1O6 non-polymer 1.00 0.67 M08 M09 C14H18N2O8 non-polymer 1.00 0.58 M09 M0A C22H25N5 non-polymer 0.00 0.00 M0A M0E C69H106N5O34P1 non-polymer 1.00 0.83 M0E M0H C4H9N1O3S1 L-peptide linking 0.00 0.00 M0H M0N C9H12N2O7P2 non-polymer 0.00 0.00 M0N M0T C25Cl2H23N3O1 non-polymer 0.00 0.00 M0T M0Y C15H13N5O2 non-polymer 0.00 0.00 M0Y M0Z C16H15N5O3 non-polymer 0.00 0.00 M0Z M10 H3O13 non-polymer 0.00 0.00 M10 M11 C15H26N2O7S1 non-polymer 0.75 0.56 M11 M12 C12H24O2 non-polymer 0.00 0.00 M12 M13 C13H24O11 non-polymer 1.00 0.96 M13 M14 C21Cl3H14N3O5S1 non-polymer 0.00 0.00 M14 M15 C16Cl1F1H12I1N1O4 non-polymer 0.00 0.00 M15 M17 C44H59N5O6 non-polymer 0.38 0.18 M17 M18 C20Cl1H27N2O5 non-polymer 0.56 0.50 M18 M1A C6H8N5 non-polymer 0.00 0.00 M1A M1B C21H18N6 non-polymer 0.00 0.00 M1B M1C C10H22N2O2 non-polymer 0.00 0.00 M1C M1F C12H23O14P1 D-saccharide 1.00 0.85 M1F M1G C13H14N5O7P1 DNA linking 1.00 0.35 M1G M1J C18F2H23N7O2 non-polymer 0.00 0.00 M1J M1L C24H30N4O7S1 non-polymer 0.99 0.22 M1L M1N B1C23H32N3O5 non-polymer 0.00 0.00 M1N M1P C6H13O9P1 non-polymer 1.00 0.75 M1P M1S C18Cl1H21O5 non-polymer 0.00 0.00 M1S M1T C7H14O4 non-polymer 0.69 0.55 M1T M1V C33H38N4O6 non-polymer 0.00 0.00 M1V M1W C15H16N4O3 non-polymer 0.59 0.36 M1W M1Y C10H15N2O9P1 RNA linking 1.00 0.77 M1Y M21 C14H26O1 non-polymer 0.50 0.47 M21 M22 C21Cl2H13N3O2 non-polymer 0.00 0.00 M22 M23 Br1C17H17N4O1 non-polymer 0.00 0.00 M23 M24 C25F1H21N7O9P1 non-polymer 1.00 0.33 M24 M25 C10H14N2O3S1 non-polymer 0.00 0.00 M25 M27 H2O10 non-polymer 0.00 0.00 M27 M28 C9H11N1O4S1 non-polymer 0.00 0.00 M28 M29 C11H15N1O4S1 non-polymer 0.65 0.41 M29 M2A C18H22N6O11P2 non-polymer 1.00 0.27 M2A M2C C10H16N2O2S1 non-polymer 0.00 0.00 M2C M2D C26H37N3O7 non-polymer 0.00 0.00 M2D M2F C12F1H13N2O9 non-polymer 1.00 0.46 M2F M2G C12H18N5O8P1 RNA linking 1.00 0.38 M2G M2L C7H16N2O2S1 L-peptide linking 0.20 0.25 M2L M2M C6H14O3 non-polymer 0.88 0.78 M2M M2N C18H15N5 non-polymer 0.00 0.00 M2N M2P C6H16O12P2 non-polymer 1.00 0.60 M2P M2S C7H15N1O3S1 L-peptide linking 0.54 0.75 M2S M2T C12H19N5O3S1 non-polymer 1.00 0.43 M2T M2W C14H25N3O7S1 non-polymer 0.68 0.36 M2W M30 C8H15N1O2 peptide linking 0.00 0.00 M30 M31 C22Cl1H27N4O4S1 peptide-like 0.00 0.00 M31 M32 C23Cl1H29N4O4S1 peptide-like 0.00 0.00 M32 M33 C11H17N5O9P2 non-polymer 1.00 0.37 M33 M34 C26Cl1H35N4O4S1 non-polymer 0.00 0.00 M34 M35 C25F4H20N4O3S1 non-polymer 0.00 0.00 M35 M37 C24F4H19N5O3S1 non-polymer 0.00 0.00 M37 M38 C20H15N1O4 non-polymer 0.00 0.00 M38 M39 C19F1H15N4O1S1 non-polymer 0.00 0.00 M39 M3C C8H14N2O2S2 non-polymer 0.00 0.00 M3C M3D C28H25N3O4 non-polymer 0.00 0.00 M3D M3F C14F3H9N2O1 non-polymer 0.00 0.00 M3F M3I C4H6N2O1 non-polymer 0.00 0.00 M3I M3K C17F2H17I1N2O4 non-polymer 0.81 0.27 M3K M3L C9H21N2O2 L-peptide linking 0.20 0.23 M3L M3M C12H22O11 D-saccharide 1.00 1.00 M3M M3N C9H15N3O6 non-polymer 1.00 0.67 M3N M3O C16H23N6O9P1S1 RNA linking 1.00 0.55 M3O M3P C7H8O4 non-polymer 0.62 1.00 M3P M3Q C10H10N1O3P1 non-polymer 0.00 0.00 M3Q M3R C7H17N4O4P1 L-peptide NH3 amino terminus 0.59 0.56 M3R M3S C10H10O4 non-polymer 0.00 0.00 M3S M3T C7H8S1 non-polymer 0.00 0.00 M3T M3W C16H14N2O1 non-polymer 0.00 0.00 M3W M40 C24H35N3O8S1 non-polymer 0.39 0.53 M40 M41 C25Cl1H33N4O4S1 peptide-like 0.00 0.00 M41 M42 C11H9N1O3 non-polymer 0.00 0.00 M42 M43 C43H53N6Ni1O13S1 non-polymer 0.00 0.00 M43 M44 C6H17N2O2P1 non-polymer 0.36 0.73 M44 M46 C20F1H22N3 non-polymer 0.00 0.00 M46 M48 C19F1H20N3 non-polymer 0.00 0.00 M48 M49 C14H17N3O3 non-polymer 0.00 0.00 M49 M4A C10H10N2 non-polymer 0.00 0.00 M4A M4C C11H18N3O8P1 RNA linking 1.00 0.43 M4C M4D C18H27N3 non-polymer 0.00 0.00 M4D M4M C20H15N3O7S2 non-polymer 0.00 0.00 M4M M4O C49H80N5O32P1 non-polymer 1.00 0.93 M4O M4R C22H24N4O1 non-polymer 0.41 0.22 M4R M4S C7H9N1O3S1 non-polymer 0.00 0.00 M4S M4V Br1C18H13N4O1 non-polymer 0.00 0.00 M4V M4Y C15H20O3 non-polymer 0.00 0.00 M4Y M4Z C24H36N6O3 non-polymer 0.00 0.00 M4Z M51 C22H30N6O1S1 non-polymer 0.00 0.00 M51 M52 Br1C15H17N4O4S1 non-polymer 0.00 0.00 M52 M54 C25H22N4O2 non-polymer 0.00 0.00 M54 M59 C13H17N5O1 non-polymer 0.00 0.00 M59 M5C C12H21N1O6 non-polymer 1.00 0.74 M5C M5F C7F1H11N4O2 non-polymer 1.00 0.57 M5F M5G C46H78N2O36 non-polymer 1.00 1.00 M5G M5J C15F1H20N1O1 non-polymer 0.38 0.11 M5J M5K C10H10N2 non-polymer 0.00 0.00 M5K M5M C11H17N4O8P1 RNA linking 1.00 0.42 M5M M5P C12H16O2S1 non-polymer 0.00 0.00 M5P M5S C30H52O26 non-polymer 1.00 1.00 M5S M5T C10H17N2O15P3 non-polymer 1.00 0.60 M5T M5Z C32H53N5O14 non-polymer 1.00 0.82 M5Z M60 C32H41N5O11 peptide-like 0.61 0.77 M60 M61 C28H32N6O5S1 non-polymer 0.00 0.00 M61 M62 C16F1H14N3 non-polymer 0.00 0.00 M62 M66 C40H58N6O6 non-polymer 0.38 0.25 M66 M67 C25H38N6O3 non-polymer 0.00 0.00 M67 M68 C19Cl1H20N3 non-polymer 0.00 0.00 M68 M6A C33H57N5O10 non-polymer 0.50 0.19 M6A M6B C34H59N5O10 non-polymer 0.50 0.18 M6B M6D C6H13O9P1 non-polymer 1.00 0.75 M6D M6E C38H67N5O10 non-polymer 0.50 0.17 M6E M6F C31H55N5O10 non-polymer 0.50 0.20 M6F M6G C36H63N5O10 non-polymer 0.50 0.18 M6G M6P C6H13O9P1 D-saccharide 1.00 0.75 M6P M6R C6H16N1O8P1 non-polymer 1.00 0.75 M6R M6S C23H34N6O3 non-polymer 0.00 0.00 M6S M6T C13H20N4O7P2S1 non-polymer 0.00 0.00 M6T M6V C35H61N5O10 non-polymer 0.50 0.18 M6V M72 C10H12O4 non-polymer 0.88 0.79 M72 M73 C28H40N2O8S1 non-polymer 0.75 0.21 M73 M74 C9H10O4 non-polymer 0.88 0.77 M74 M76 C17F1H13N2O4 non-polymer 1.00 0.62 M76 M77 C14H17N3O2S1 non-polymer 0.00 0.00 M77 M7A C11H18N5O7P1 RNA linking 1.00 0.42 M7A M7B C7H15O10P1 non-polymer 1.00 0.78 M7B M7C C15H16N2O7S1 non-polymer 1.00 0.68 M7C M7E B10C26H37O2 non-polymer 0.25 0.05 M7E M7G C11H19N5O11P2 non-polymer 1.00 0.34 M7G M7K C18F1H18N3 non-polymer 0.00 0.00 M7K M7M C13H23N5O11P2 non-polymer 1.00 0.32 M7M M7O C15H14N2O3 non-polymer 0.00 0.00 M7O M7P C7H15O10P1 non-polymer 1.00 0.78 M7P M7R C37H43N1O4 non-polymer 0.58 0.10 M7R M7S C37H43N1O4 non-polymer 0.58 0.10 M7S M7U C38H75O8P1 non-polymer 0.98 0.30 M7U M80 C26H26N2O5 non-polymer 0.00 0.00 M80 M81 C12Cl1H9N2O4 non-polymer 0.00 0.00 M81 M84 C16H15N1O3 non-polymer 0.00 0.00 M84 M85 C18H19N3O1 non-polymer 0.00 0.00 M85 M86 C28H40N4O7S1 non-polymer 0.00 0.00 M86 M87 C18F1H18N3 non-polymer 0.00 0.00 M87 M8A C22H24N2O4 non-polymer 0.00 0.00 M8A M8B Br1C37H52N5O6 non-polymer 0.38 0.12 M8B M8C C7H12O7 D-saccharide 1.00 0.93 M8C M8D C22H27N3 non-polymer 0.00 0.00 M8D M8E C17H27N7O4 non-polymer 1.00 0.43 M8E M8F C14H25N3O6S2 non-polymer 0.00 0.00 M8F M8J C15H18N4O5S1 non-polymer 0.00 0.00 M8J M8M C14H23N7O4 non-polymer 1.00 0.56 M8M M8O C8H8O6 non-polymer 0.65 1.00 M8O M8P C19H18N2O7S1 non-polymer 1.00 0.59 M8P M8Q C15H15N1O4S1 non-polymer 0.00 0.00 M8Q M8S C17H22N4O5S1 non-polymer 0.00 0.00 M8S M8V C16H20N4O5S1 non-polymer 0.00 0.00 M8V M8Y Br1C36H50N5O6 non-polymer 0.38 0.04 M8Y M90 C34H49N5O6S1 peptide-like 0.47 0.33 M90 M91 C34H49N5O6S1 peptide-like 0.00 0.00 M91 M94 C19H21N3O1 non-polymer 0.00 0.00 M94 M95 C20H19N3O3 non-polymer 0.45 0.31 M95 M96 C7H14O5 non-polymer 1.00 1.00 M96 M97 C23H16N3O2 non-polymer 0.00 0.00 M97 M98 C23F8H18N2O4S1 non-polymer 0.20 0.16 M98 M99 C23F8H18N2O4S1 non-polymer 0.20 0.16 M99 M9A C23F1H16N3O4 non-polymer 0.00 0.00 M9A M9F C14H25N3O6S2 non-polymer 0.56 0.28 M9F M9J C34H45N5S1 non-polymer 0.00 0.05 M9J M9M C23H31N3O3 non-polymer 0.00 0.00 M9M M9P C7F3H16N4O1 non-polymer 0.00 0.00 M9P M9S C26H34N4S1 non-polymer 0.00 0.00 M9S M9Y C33F3H42N5S1 non-polymer 0.00 0.05 M9Y MA C4H9N1O2 L-peptide COOH carboxy terminus 0.61 1.00 MA MA0 C13H16N1O1 non-polymer 0.40 0.33 MA0 MA1 C6H12O4S2 D-saccharide 1.00 0.83 MA1 MA2 C7H14O5S1 D-saccharide 1.00 0.85 MA2 MA3 C7H14O5S1 D-saccharide 1.00 0.85 MA3 MA4 C24H44O11 non-polymer 1.00 0.66 MA4 MA5 C20H36O11 non-polymer 1.00 0.74 MA5 MA6 C12H18N5O7P1 RNA linking 1.00 0.40 MA6 MA7 C11H17N5O6P1 DNA linking 1.00 0.39 MA7 MA8 C15H28N2O11S1 non-polymer 1.00 0.97 MA8 MA9 C22F3H21N4O2S1 non-polymer 0.00 0.00 MA9 MAA C4H9N1O2 L-peptide linking 0.67 1.00 MAA MAB C12H22O11 saccharide 1.00 1.00 MAB MAC C2H3Hg1O2 non-polymer 0.00 0.00 MAC MAD C11H16N5O7P1 RNA linking 1.00 0.42 MAD MAE C4H4O4 non-polymer 0.95 1.00 MAE MAF C6F1H11O5 non-polymer 1.00 0.92 MAF MAG C9H17N1O6 D-saccharide 1.00 0.94 MAG MAH C6H10O5 non-polymer 0.83 1.00 MAH MAI C7H18N4O1 L-peptide linking 0.00 0.00 MAI MAJ C9H11N1O2S1 non-polymer 0.00 0.00 MAJ MAK C3H2O5 non-polymer 0.76 1.00 MAK MAL C12H22O11 D-saccharide 1.00 1.00 MAL MAM C7H14O6 non-polymer 1.00 0.92 MAM MAN C6H12O6 D-saccharide 1.00 1.00 MAN MAO C13H21N7O4 non-polymer 1.00 0.58 MAO MAP C10H16Mg1N6O12P3 non-polymer 1.00 0.31 MAP MAQ C9H9N3O1 non-polymer 0.00 0.00 MAQ MAR C33H39N1O13 non-polymer 1.00 0.40 MAR MAS C2H7N1O3S1 non-polymer 0.00 0.00 MAS MAT C9H19N1O3 L-saccharide 1.00 0.92 MAT MAU C44H62N2O12 non-polymer 1.00 0.91 MAU MAV C6H10O7 D-saccharide 1.00 1.00 MAV MAW C6H8O6 L-saccharide 1.00 1.00 MAW MAX C20H22O6 non-polymer 0.00 0.00 MAX MAY C21F1H36O2P1 non-polymer 0.38 0.60 MAY MAZ C8H9N1O2 non-polymer 0.00 0.00 MAZ MB0 C18Cl2H18N4O1 non-polymer 0.00 0.00 MB0 MB1 C6Cl1H5N2O4S1 non-polymer 0.00 0.00 MB1 MB2 C12F1H11N4O5S2 non-polymer 0.00 0.00 MB2 MB3 C5H9N1O1 non-polymer 0.00 0.00 MB3 MB4 C13H14N4O5S2 non-polymer 0.00 0.00 MB4 MB5 C21Cl1H24N3O1 non-polymer 0.00 0.00 MB5 MB6 C12Cl1H11N4O5S2 non-polymer 0.00 0.00 MB6 MB7 C13H14N4O5S2 non-polymer 0.00 0.00 MB7 MB8 C5H8O2 non-polymer 0.93 1.00 MB8 MB9 C17Cl1H17N4O1 non-polymer 0.00 0.00 MB9 MBA C5H13N1 non-polymer 0.00 0.00 MBA MBB C28H31N7 non-polymer 0.20 0.09 MBB MBC C19H16N6O1 non-polymer 0.00 0.00 MBC MBD C7H8O2 non-polymer 0.00 0.00 MBD MBE C12H15N1O8 D-saccharide 1.00 0.57 MBE MBF C6F1H11O5 non-polymer 1.00 0.92 MBF MBG C7H14O6 saccharide 1.00 0.92 MBG MBH C10H15N2O2 non-polymer 0.71 0.43 MBH MBL C14H19N3 non-polymer 0.00 0.00 MBL MBM C28H32N6O4 non-polymer 0.20 0.11 MBM MBN C7H8 non-polymer 0.00 0.00 MBN MBO C7H5Hg1O2 non-polymer 0.00 0.00 MBO MBP C10H13N5O2 non-polymer 0.65 0.41 MBP MBQ C20H22N2O6 L-peptide linking 0.50 0.25 MBQ MBR Br3C1H1 non-polymer 0.00 0.00 MBR MBS C20H21N1O6S1 non-polymer 0.58 0.39 MBS MBT C16H18N3S1 non-polymer 0.20 0.15 MBT MBV C33H38N4O6 non-polymer 0.00 0.00 MBV MBX C28H34N4O3S1 non-polymer 0.38 0.14 MBX MBY C12H15N3O4S1 non-polymer 1.00 0.45 MBY MBZ C13H17N2O6P1 DNA linking 1.00 0.41 MBZ MC C14H16N4O5 non-polymer 0.00 0.00 MC MC1 C20H25N3O9S1 L-peptide linking 0.81 0.21 MC1 MC2 C25H30N6O2 non-polymer 0.00 0.00 MC2 MC3 C36H72N1O8P1 non-polymer 0.98 0.48 MC3 MC4 C26H41N7O18P3S1 non-polymer 1.00 0.55 MC4 MC5 C21F1H16N1O3S1 non-polymer 0.00 0.00 MC5 MC8 C23H28N10O13S2 non-polymer 0.81 0.33 MC8 MC9 C27H40O3 non-polymer 0.43 0.33 MC9 MCA C25H40N7O19P3S1 non-polymer 1.00 0.55 MCA MCB C2H4O1 non-polymer 0.00 0.00 MCB MCD C26H42N7O19P3 non-polymer 1.00 0.56 MCD MCE C2Cl1H5 non-polymer 0.00 0.00 MCE MCF C12H18N4O4S1 non-polymer 1.00 0.43 MCF MCG C10H11N1O4 L-peptide linking 0.93 0.27 MCG MCH C1Cl3H1 non-polymer 0.00 0.00 MCH MCI C19H19N5O3S2 non-polymer 0.93 0.14 MCI MCJ C30H29N3O16 non-polymer 0.84 0.51 MCJ MCK C23H25N3O13 non-polymer 0.84 0.59 MCK MCL C9H16N2O4 L-peptide linking 0.93 0.27 MCL MCM C10H9N1O2 non-polymer 0.00 0.00 MCM MCN C19H22N8O13P2S2 non-polymer 1.00 0.52 MCN MCO C9H15N1O3S1 non-polymer 0.00 0.00 MCO MCP C7H13N1O2 non-polymer 0.00 0.00 MCP MCQ C18H25N3O5S2 non-polymer 0.00 0.00 MCQ MCR C2H4O2S1 non-polymer 0.00 0.00 MCR MCS C6H9N1O5S1 L-peptide linking 0.65 1.00 MCS MCT C7H8O2 non-polymer 0.00 0.00 MCT MCU C8H14O7 saccharide 1.00 0.87 MCU MCV C16H18N4O2S1 non-polymer 0.00 0.00 MCV MCW C7H6O3 non-polymer 0.00 0.00 MCW MCX C30H51N5O5 non-polymer 0.38 0.05 MCX MCY C10H15N3O4 DNA linking 1.00 0.53 MCY MCZ C26H42O4 non-polymer 0.65 0.40 MCZ MD0 C6H14N2O2 D-peptide linking 0.54 0.90 MD0 MD1 C20H26N10O13P2S2 non-polymer 1.00 0.43 MD1 MD2 C12H20N2 non-polymer 0.25 0.14 MD2 MD3 C16H15N1O5S1 L-peptide linking 0.86 0.48 MD3 MD4 C16H22N5 non-polymer 0.00 0.00 MD4 MD5 C12H12N2O7S1 L-peptide linking 0.86 0.50 MD5 MD6 C8H8N2O4 peptide linking 0.81 0.50 MD6 MD7 C19H16N2O2 non-polymer 0.40 0.39 MD7 MD9 C30H28Mg1N4O4 non-polymer 0.00 0.00 MD9 MDA C7H14O4 D-saccharide 1.00 1.00 MDA MDB C22H34N4O5 non-polymer 0.42 0.42 MDB MDC C20H21N3O5 non-polymer 0.30 0.14 MDC MDD C3H4O2 non-polymer 0.67 1.00 MDD MDE C33H55N7O18P3S2 non-polymer 1.00 0.46 MDE MDF C9H11N1O4 L-peptide linking 0.44 0.50 MDF MDG C11H19N5O11P2 non-polymer 1.00 0.34 MDG MDH C5H9N1O2 peptide linking 0.93 1.00 MDH MDJ C11H17N2O8P1 DNA linking 1.00 0.82 MDJ MDK C11H17N2O7P1 DNA linking 1.00 0.43 MDK MDL C28F5H29N4O3 peptide-like 0.00 0.05 MDL MDM C13H24O11 D-saccharide 1.00 0.96 MDM MDN C1H6O6P2 non-polymer 0.00 0.00 MDN MDO C8H11N3O3 L-peptide linking 0.00 0.00 MDO MDP C11H19N1O9 D-saccharide 1.00 0.81 MDP MDQ C10H16N3O8P1 DNA linking 1.00 0.41 MDQ MDR C11H14N4O3 DNA linking 1.00 0.50 MDR MDS C15H24N8O6S2 non-polymer 1.00 0.32 MDS MDU C11H17N2O9P1 DNA linking 1.00 0.74 MDU MDV C12H16N5O8P1 DNA linking 1.00 0.35 MDV MDW C18H20N2O7S1 non-polymer 0.00 0.00 MDW MDX C11H22O2S1 non-polymer 0.00 0.00 MDX MDY C18Cl1H15N2O3 non-polymer 0.75 0.12 MDY MDZ C15H26N2O7S1 non-polymer 0.75 0.56 MDZ ME0 C5H11N1O3S1 L-peptide linking 0.00 0.00 ME0 ME1 C19Cl1H16N3O3S1 non-polymer 0.40 0.30 ME1 ME2 C7H16O3 non-polymer 0.88 1.00 ME2 ME3 C26H18N3O6Ru1 non-polymer 0.46 0.22 ME3 ME4 C27Cl1H25N4O3 non-polymer 0.00 0.00 ME4 ME5 C22Cl1H20N3O3S1 non-polymer 0.00 0.00 ME5 ME6 C10H17N3O7P1 DNA linking 1.00 0.43 ME6 ME7 C10H8N2O4 non-polymer 0.00 0.00 ME7 ME8 C15H23N6O8P1S1 non-polymer 1.00 0.55 ME8 ME9 C12H12N2O4 non-polymer 0.00 0.00 ME9 MEA C10H13N1O2 L-peptide linking 0.50 0.62 MEA MEB C4H8 non-polymer 0.38 0.75 MEB MEC C4H9N1O2 non-polymer 0.00 0.00 MEC MED C5H11N1O2S1 D-peptide linking 0.00 0.00 MED MEE C1H4S1 non-polymer 0.00 0.00 MEE MEF C20H23N7O6 non-polymer 0.68 0.36 MEF MEG C6H11N1O4 L-peptide linking 0.65 1.00 MEG MEI C16H28O3 non-polymer 0.95 0.89 MEI MEJ C19H19N3O2 non-polymer 0.00 0.00 MEJ MEK C18F3H18I1N2O5 non-polymer 0.84 0.52 MEK MEL C22H31N5O4 non-polymer 0.00 0.00 MEL MEM C17H25N3O5S1 non-polymer 0.20 0.12 MEM MEN C5H10N2O3 L-peptide linking 0.54 1.00 MEN MEP C12H19N2O8P1 RNA linking 1.00 0.78 MEP MEQ C6H12N2O3 L-peptide linking 0.54 1.00 MEQ MER C17H27N3O5S1 non-polymer 0.50 0.35 MER MES C6H13N1O4S1 non-polymer 0.00 0.00 MES MET C5H11N1O2S1 L-peptide linking 0.00 0.00 MET MET_LEO2 C5H9N1O2S1 NA 0.00 0.00 MET_LEO2 MET_LEO2H C5H10N1O2S1 NA 0.00 0.00 MET_LEO2H MET_LFOH C5H11N1O2S1 NA 0.00 0.00 MET_LFOH MET_LFZW C5H11N1O2S1 NA 0.00 0.00 MET_LFZW MET_LL C5H9N1O1S1 NA 0.00 0.00 MET_LL MET_LSN3 C5H11N1O1S1 NA 0.00 0.00 MET_LSN3 MEU C3H7N1O2 peptide linking 0.64 1.00 MEU MEV C6H11O4 non-polymer 0.79 1.00 MEV MEW C9H8N2O1 non-polymer 0.00 0.00 MEW MEX C13H10N2O3 non-polymer 0.00 0.00 MEX MEY C24Cl1H18N3O5S1 non-polymer 0.00 0.00 MEY MEZ C5H6O4 non-polymer 0.95 1.00 MEZ MF1 C29H47O4P1 non-polymer 0.36 0.24 MF1 MF2 C15H30N2O2 non-polymer 0.00 0.00 MF2 MF3 C5F3H8N1O2S1 L-peptide linking 0.00 0.00 MF3 MF4 F4Mg1 non-polymer 0.00 0.00 MF4 MF5 C14F5H10N2O1 non-polymer 0.23 0.32 MF5 MF7 C11H18N5O8P1 DNA linking 1.00 0.84 MF7 MF8 C4H11N5 non-polymer 0.30 0.33 MF8 MFA C7H14O5 L-saccharide 1.00 0.92 MFA MFB C7H14O5 L-saccharide 1.00 0.92 MFB MFC C15F1H16N3O5 L-peptide linking 0.00 0.00 MFC MFD C20H29N1O3 non-polymer 0.50 0.42 MFD MFG C11F1H12N1 non-polymer 0.32 0.46 MFG MFJ C23H29O4P1 non-polymer 0.62 0.43 MFJ MFK C31H54N7O17P3S1 non-polymer 1.00 0.39 MFK MFM C17Cl1H12N1O4S2 non-polymer 0.21 0.28 MFM MFN C35H44N4O16 non-polymer 0.62 0.51 MFN MFO C22H23N6O8P1 DNA linking 1.00 0.24 MFO MFP Br1C24H27N6O2 non-polymer 0.61 0.21 MFP MFQ Br1C24H27N6O2 non-polymer 0.61 0.21 MFQ MFR C12H11N5O1 non-polymer 0.00 0.00 MFR MFS C26H37N1O19S1 non-polymer 1.00 0.60 MFS MFT C11H17N2O8P1 DNA linking 1.00 0.77 MFT MFU C7H14O5 L-saccharide 1.00 0.92 MFU MFV C16H19N3O5 L-peptide linking 0.00 0.00 MFV MFW C5H8O1 non-polymer 0.00 0.00 MFW MFX C21F1H24N3O4 non-polymer 0.00 0.00 MFX MFY C9Cl1H12N1O3S1 non-polymer 0.00 0.00 MFY MFZ C11Cl2H7N1O1 non-polymer 0.62 0.13 MFZ MG Mg1 non-polymer 0.00 0.00 MG MG0 C18F6H18N4O3S1 non-polymer 0.21 0.22 MG0 MG1 C11H16N5O7P1 DNA linking 1.00 0.38 MG1 MG2 C16F3H18N3O3S1 non-polymer 0.00 0.00 MG2 MG5 C15H25N1O11S1 saccharide 1.00 0.86 MG5 MG7 C11H16N5O5 non-polymer 1.00 0.48 MG7 MG8 C15H31N1O6 non-polymer 0.97 0.59 MG8 MG9 C21F6H20N4O3S1 non-polymer 0.38 0.06 MG9 MGA C7H14O6 D-saccharide 1.00 0.92 MGA MGB C5H12N8 non-polymer 0.38 0.15 MGB MGC C9H17N1O6 non-polymer 1.00 0.94 MGC MGD C20H26N10O13P2S2 non-polymer 1.00 0.49 MGD MGE C38H72O10 non-polymer 1.00 0.52 MGE MGF F3Mg1 non-polymer 0.00 0.00 MGF MGG C9H17N4O5 L-peptide linking 0.63 0.72 MGG MGH C20H24N4O6 non-polymer 0.56 0.53 MGH MGI C16H16O6 non-polymer 0.97 0.18 MGI MGJ C20H27N5O4 non-polymer 0.45 0.55 MGJ MGK C20H26N4O5 non-polymer 0.56 0.55 MGK MGL C7H14O6 saccharide 1.00 0.92 MGL MGM C19H37N1O7P2 non-polymer 0.50 0.72 MGM MGN C6H12N2O3 L-peptide linking 0.93 0.73 MGN MGO C12H20N4O14P3 non-polymer 1.00 0.30 MGO MGP C11H19N5O14P3 non-polymer 1.00 0.30 MGP MGQ C17H21N5O8P1 RNA linking 1.00 0.32 MGQ MGR C23H25N2 non-polymer 0.20 0.12 MGR MGS C12H23N1O7 non-polymer 1.00 0.85 MGS MGT C11H20N5O14P3 non-polymer 1.00 0.30 MGT MGU C22H40N2O13 non-polymer 1.00 0.89 MGU MGV C17F1H20N5O8P1 RNA linking 1.00 0.31 MGV MGW C19H24N4O5 non-polymer 0.56 0.57 MGW MGX C2H7N3 non-polymer 0.00 0.00 MGX MGY C3H7N1O2 L-peptide linking 0.71 1.00 MGY MGZ C15Cl1F3H10O3 non-polymer 0.00 0.00 MGZ MH0 C34Fe1H36N4O4 non-polymer 0.00 0.00 MH0 MH1 C7H11N3O2 L-peptide linking 0.00 0.00 MH1 MH2 H1Mn1O1 non-polymer 0.00 0.00 MH2 MH3 H1Mn1O1 non-polymer 0.00 0.00 MH3 MH4 C29H33N9O1 non-polymer 0.00 0.00 MH4 MH6 C3H5N1O3 peptide linking 0.93 1.00 MH6 MH7 C20H35N5O2 non-polymer 1.00 0.41 MH7 MH8 C8H15N1O2 L-peptide linking 0.93 1.00 MH8 MH9 C12H20O2 non-polymer 0.50 0.64 MH9 MHA C6H10N2O5 non-polymer 0.87 0.69 MHA MHB C14H12N2O3 non-polymer 0.00 0.00 MHB MHC C14H16N2O1S1 non-polymer 0.00 0.00 MHC MHD C9H9N1O1 non-polymer 0.00 0.00 MHD MHE C8H14O3 L-peptide NH3 amino terminus 0.69 1.00 MHE MHF C20H23N7O6 non-polymer 0.68 0.36 MHF MHG C17H30N5O8P1 RNA linking 1.00 0.32 MHG MHH C7H17O3P1 non-polymer 0.00 0.00 MHH MHI C15H26N4O8 non-polymer 0.56 1.00 MHI MHL C7H15N1O3 L-peptide linking 0.65 0.91 MHL MHM C34Fe1H32N4O4 non-polymer 0.38 0.09 MHM MHN C8H18O1 non-polymer 0.00 0.00 MHN MHO C5H11N1O3S1 L-peptide linking 0.00 0.00 MHO MHR C14H15N5O1 non-polymer 0.58 0.20 MHR MHS C7H11N3O2 L-peptide linking 0.00 0.00 MHS MHT C8H15N1S1 non-polymer 0.00 0.00 MHT MHU C12H18N2O2 L-peptide linking 0.50 0.50 MHU MHV C6H9N1O3 L-peptide linking 0.00 0.00 MHV MHW C6H5N1O3 peptide linking 0.00 0.00 MHW MHZ C14H24N8O3 non-polymer 1.00 0.40 MHZ MI0 C12F2H22N2O2 peptide-like 0.36 0.28 MI0 MI1 C16H20N6O1 non-polymer 0.00 0.00 MI1 MI2 C16H15N3 non-polymer 0.00 0.00 MI2 MI3 C18H22N5O15P3 non-polymer 1.00 0.24 MI3 MI4 C36H54O3 non-polymer 0.36 0.18 MI4 MI5 C19H22N8S1 non-polymer 0.00 0.00 MI5 MI6 C29Cl2F1H35N4O3 non-polymer 0.38 0.05 MI6 MIA C16H24N5O7P1S1 RNA linking 1.00 0.43 MIA MIB C13H13N1O1 non-polymer 0.62 0.20 MIB MIC C7H10O7 non-polymer 0.97 1.00 MIC MID C27H31N5O4S1 peptide-like 0.00 0.00 MID MIF C8H12N2O6S1 non-polymer 1.00 1.00 MIF MIG C8H17N1O5 non-polymer 1.00 0.79 MIG MIH C25Cl2F2H19N3O1 non-polymer 0.00 0.00 MIH MII C17H20N2O6S1 non-polymer 0.00 0.00 MII MIK C12H18N4O2 non-polymer 0.00 0.00 MIK MIL C12H9N3O1 non-polymer 0.00 0.00 MIL MIM C33H52N6O4 non-polymer 0.00 0.00 MIM MIN C22H34N4O2 peptide-like 0.00 0.00 MIN MIO C4H6N2O1 non-polymer 0.00 0.00 MIO MIP C3H9O4P1 non-polymer 0.58 0.50 MIP MIR C5H12N1O6P1 L-peptide linking 0.83 0.85 MIR MIS C6H14N1O6P1 L-peptide linking 0.83 0.86 MIS MIT C23H37N6O5S1 peptide-like 0.00 0.00 MIT MIU C20F3H32N7O3S1 peptide-like 0.00 0.00 MIU MIV C37H61N1O11 non-polymer 1.00 0.43 MIV MIX C22H28N4O6 non-polymer 0.00 0.00 MIX MIY C23H27N3O7 non-polymer 0.20 0.09 MIY MIZ C13H18N3 non-polymer 0.00 0.00 MIZ MJ5 C13H12O2 non-polymer 0.00 0.00 MJ5 MJ7 C27Cl1H31N6O3S1 non-polymer 1.00 0.24 MJ7 MJ8 C24H42N9O12P1S2 non-polymer 1.00 0.42 MJ8 MJA C19H30O5 non-polymer 0.00 0.00 MJA MJC C61H103O9P1 non-polymer 1.00 0.89 MJC MJF C18Cl1H15O5 non-polymer 0.58 0.42 MJF MJG C32H41N5O4S2 non-polymer 0.38 0.12 MJG MJI C22F3H44O6P1 non-polymer 1.00 0.44 MJI MJJ C14H23N1O10 non-polymer 1.00 0.96 MJJ MJM C22H21N1O2 non-polymer 0.00 0.00 MJM MJP C17H14N4O2 non-polymer 0.00 0.00 MJP MJQ C31Cl1H33N2O3 non-polymer 0.00 0.00 MJQ MJS B1C6H18N2O2 peptide-like 0.00 0.00 MJS MJU C21H18N8S1 non-polymer 0.00 0.00 MJU MJZ C17H26N4O17P2 non-polymer 1.00 0.65 MJZ MK0 C38H77O9P1 non-polymer 1.00 0.25 MK0 MK1 C36H47N5O4 non-polymer 0.39 0.11 MK1 MK2 C19H14N6O1 non-polymer 0.00 0.00 MK2 MK3 C20H15N5O2S1 non-polymer 0.40 0.14 MK3 MK4 Br3C16Cl1H11N1O4 non-polymer 0.00 0.00 MK4 MK5 C27Cl2H37N3O7S1 non-polymer 0.00 0.00 MK5 MK6 C29H31N1O6S1 non-polymer 0.00 0.00 MK6 MK7 C12H22N4O6S1 non-polymer 0.00 0.00 MK7 MK8 C7H15N1O2 L-peptide linking 0.93 0.80 MK8 MK9 C32Cl2H39N7O4 non-polymer 0.38 0.11 MK9 MKC C17H22N2O3 non-polymer 0.00 0.00 MKC MKD C9H19N1O2 L-peptide linking 0.93 0.67 MKD MKE C6H11N1O3 non-polymer 0.00 0.00 MKE MKH C24H27N3O5S1 non-polymer 0.00 0.00 MKH MKK C27F1H33N4O2 non-polymer 0.62 0.09 MKK MKM C25H41N1O2 non-polymer 0.50 0.29 MKM MKR C27F1H31N4O3 non-polymer 0.62 0.09 MKR MKS C24H26O6 non-polymer 0.38 0.17 MKS MKT C23H24O6 non-polymer 0.38 0.17 MKT MKU C24H26O6 non-polymer 0.38 0.07 MKU MKV Br3C4H2N1 non-polymer 0.00 0.00 MKV MKY C12H14N4O3S1 non-polymer 0.61 0.35 MKY ML0 C27F4H22N4O3 non-polymer 0.00 0.00 ML0 ML1 C13H16N2O2 non-polymer 0.00 0.00 ML1 ML2 C13H15I1N2O2 non-polymer 0.00 0.00 ML2 ML3 C8H19N2O2S1 L-peptide linking 0.20 0.23 ML3 ML4 C27H26N4O2 non-polymer 0.00 0.00 ML4 ML5 C16H27N2O4P1 non-polymer 0.00 0.00 ML5 ML6 C19F1H20N3 non-polymer 0.00 0.00 ML6 ML7 C19H16N2O3S1 non-polymer 0.00 0.00 ML7 ML8 C21H24N4O2 non-polymer 0.00 0.00 ML8 ML9 C22H27N5O4 non-polymer 0.00 0.00 ML9 MLA C3H4O4 non-polymer 0.85 1.00 MLA MLB C12H22O11 saccharide 1.00 1.00 MLB MLC C24H38N7O19P3S1 non-polymer 1.00 0.43 MLC MLD C37H59N7O20 non-polymer 1.00 0.78 MLD MLE C7H15N1O2 L-peptide linking 0.55 0.80 MLE MLG C13Cl2H15N1O1 non-polymer 0.50 0.35 MLG MLI C3H2O4 non-polymer 0.73 1.00 MLI MLJ C21F3H21N2O3 non-polymer 0.00 0.00 MLJ MLK C37H50N2O10 non-polymer 1.00 0.59 MLK MLL C7H15N1O2 L-peptide linking 0.56 0.70 MLL MLM C3H5N1O3 non-polymer 0.00 0.00 MLM MLN C18H28N3O8P1 non-polymer 0.00 0.00 MLN MLO C18H18O2 non-polymer 0.31 0.40 MLO MLP C3H7N1O3P1 non-polymer 0.00 0.00 MLP MLR C18H32O16 non-polymer 1.00 1.00 MLR MLS C18F1H15N2O3S1 non-polymer 0.00 0.00 MLS MLT C4H6O5 non-polymer 0.88 1.00 MLT MLU C7H15N1O2 D-peptide linking 0.55 0.80 MLU MLV C19F1H15N2O3S1 non-polymer 0.00 0.00 MLV MLX C13Cl1F3H14N3O4 non-polymer 0.00 0.00 MLX MLY C8H18N2O2 L-peptide linking 0.20 0.25 MLY MLZ C7H16N2O2 L-peptide linking 0.00 0.00 MLZ MM0 C28H30N4 non-polymer 0.00 0.00 MM0 MM1 C10Cu1H24N4 non-polymer 0.00 0.00 MM1 MM2 C28Cu2H54N8 non-polymer 0.00 0.00 MM2 MM3 C15H22N2O5S2 non-polymer 0.00 0.00 MM3 MM4 H1O2 non-polymer 0.00 0.00 MM4 MM5 C28H48N8Ni2 non-polymer 0.00 0.00 MM5 MM6 C10H20N4Ni1 non-polymer 0.00 0.00 MM6 MM7 C13H19O7P1 DNA linking 0.00 0.00 MM7 MM9 C24H36N6O3 non-polymer 0.20 0.09 MM9 MMA C7H14O6 saccharide 1.00 0.92 MMA MMB C25H28N2O5 non-polymer 0.58 0.41 MMB MMC C1H3Hg1 non-polymer 0.00 0.00 MMC MMD C15H19N7O3S1 non-polymer 0.00 0.00 MMD MME C6H13N1O2S1 L-peptide linking 0.59 0.80 MME MMF C17H29N3O14P2 non-polymer 1.00 0.78 MMF MMG C20H14N2O2 non-polymer 0.00 0.00 MMG MMH C21H22N6O3 non-polymer 0.00 0.00 MMH MMI C38H62N6O8 non-polymer 0.00 0.00 MMI MMJ C12H14N2S1 non-polymer 0.00 0.00 MMJ MMK C15H22N4O3 non-polymer 0.43 0.36 MMK MML C10H14 non-polymer 0.00 0.00 MML MMM C12H17N2O8P1 non-polymer 0.93 0.39 MMM MMN C8H19N1O6 saccharide 0.97 1.00 MMN MMO C7H16N4O2 L-peptide linking 0.59 0.62 MMO MMP C35H40N4O4 non-polymer 0.00 0.00 MMP MMQ C1H3O3P1S1 non-polymer 0.00 0.00 MMQ MMR C12H21N1O8 non-polymer 1.00 0.95 MMR MMS C8H10N2O4 non-polymer 0.00 0.00 MMS MMT C12H19N3O5 DNA linking 1.00 0.85 MMT MMU C3H8N2O1 non-polymer 0.50 1.00 MMU MMV C18H24N4O4 non-polymer 1.00 0.58 MMV MMY C19H20N8O1 non-polymer 0.00 0.00 MMY MMZ C4H6N2S1 non-polymer 0.00 0.00 MMZ MN Mn1 non-polymer 0.00 0.00 MN MN0 C12H21N1O10 D-saccharide 1.00 0.96 MN0 MN1 C6H11N1O2 non-polymer 0.00 0.00 MN1 MN2 C11H17N2O2 non-polymer 0.00 0.00 MN2 MN3 Mn1 non-polymer 0.00 0.00 MN3 MN5 H10Mn1O5 non-polymer 0.00 0.00 MN5 MN6 H12Mn1O6 non-polymer 0.00 0.00 MN6 MN7 C12H17N1O2 non-polymer 0.00 0.00 MN7 MN8 C16H18N2O2S1 non-polymer 0.00 0.00 MN8 MN9 C8H15N1O6 non-polymer 0.97 1.00 MN9 MNA C12H21N1O9 non-polymer 1.00 0.95 MNA MNB C7H5N1O4S1 non-polymer 0.00 0.00 MNB MNC C2H3N1 non-polymer 0.00 0.00 MNC MND C5H10N2O3 D-peptide linking 0.54 1.00 MND MNG C28H31N1O10 non-polymer 1.00 0.36 MNG MNH C34H32Mn1N4O4 non-polymer 0.38 0.09 MNH MNI C15H23N3O4 non-polymer 1.00 0.50 MNI MNJ C19F1H15N2O3S1 non-polymer 0.00 0.00 MNJ MNK C15H18O3 non-polymer 0.38 0.17 MNK MNL C8H17N1O2 L-peptide linking 0.55 0.73 MNL MNM C6H13N1O4 non-polymer 1.00 1.00 MNM MNN C8H7N1O1 non-polymer 0.27 0.70 MNN MNO C26H32N4O7S1 non-polymer 0.46 0.26 MNO MNP C8H7N1O4 non-polymer 0.00 0.00 MNP MNQ Be1C8F3H11N2O9P2 non-polymer 0.00 0.00 MNQ MNR C34H32Mn1N4O4 non-polymer 0.38 0.09 MNR MNS C12H14N2O2S1 non-polymer 0.20 0.18 MNS MNT C18H22N6O10P2 non-polymer 1.00 0.25 MNT MNU C11H18N3O9P1 RNA linking 1.00 0.42 MNU MNV C6H14N2O1 L-peptide linking 0.00 0.00 MNV MNX C13H7N1O6 non-polymer 0.00 0.00 MNX MNY C14H10N2O4 non-polymer 0.00 0.00 MNY MO H1 non-polymer 0.00 0.00 MO MO0 C11H22N2O8 non-polymer 0.97 0.86 MO0 MO1 H2Mg1O1 non-polymer 0.00 0.00 MO1 MO2 H4Mg1O2 non-polymer 0.00 0.00 MO2 MO3 H6Mg1O3 non-polymer 0.00 0.00 MO3 MO4 H8Mg1O4 non-polymer 0.00 0.00 MO4 MO5 H10Mg1O5 non-polymer 0.00 0.00 MO5 MO6 H12Mg1O6 non-polymer 0.00 0.00 MO6 MO7 H7O24 non-polymer 0.00 0.00 MO7 MO8 C8H11N3S1 non-polymer 0.00 0.00 MO8 MO9 C18F2H21N3O7S1 non-polymer 0.29 0.16 MO9 MOA C17H20O6 non-polymer 0.38 0.09 MOA MOB C15H14N2O5 non-polymer 0.00 0.00 MOB MOC C14H16N4O4 non-polymer 0.00 0.00 MOC MOD C15H27N6O7P1S1 L-peptide linking 1.00 0.53 MOD MOE C3H7O2 non-polymer 0.75 1.00 MOE MOF C27Cl2H30O6 non-polymer 0.00 0.00 MOF MOG C6H6N4O2 non-polymer 1.00 0.83 MOG MOH C1H4O1 non-polymer 0.00 0.00 MOH MOI C17H19N1O3 non-polymer 0.00 0.00 MOI MOJ C20F1H18N5O1 non-polymer 0.00 0.00 MOJ MOK C11H9N1O3 non-polymer 0.00 0.00 MOK MOL C15H19N3O2 non-polymer 0.00 0.00 MOL MOM H2O3 non-polymer 0.00 0.00 MOM MON C24Cl1H29N6O1S1 non-polymer 1.00 0.24 MON MOO H1O4 non-polymer 0.00 0.00 MOO MOP C6H12O1 non-polymer 0.00 0.00 MOP MOR C5H9N1O3 non-polymer 0.00 0.00 MOR MOS H2O2S1 non-polymer 0.00 0.00 MOS MOT C20H22N6O6 non-polymer 1.00 0.75 MOT MOU C37H54O12 non-polymer 1.00 0.67 MOU MOW H2O1S1 non-polymer 0.00 0.00 MOW MOX C18H18N2O9 non-polymer 0.74 0.62 MOX MOY C19H18N2O2S1 non-polymer 0.00 0.00 MOY MOZ C4H7N1O3 peptide linking 0.93 1.00 MOZ MP0 C17H34N2O2 peptide-like 0.00 0.00 MP0 MP1 C35Cu1H39N4O4 non-polymer 0.00 0.00 MP1 MP2 C13H16N2O5S1 non-polymer 0.45 0.81 MP2 MP3 C3H7O7P1 non-polymer 0.91 0.64 MP3 MP4 C9H11N1O4 L-peptide linking 0.00 0.00 MP4 MP5 C6H10N3O4P1 non-polymer 0.00 0.00 MP5 MP6 C26H29N5O1 non-polymer 0.38 0.16 MP6 MP7 C28F2H22N4O4 non-polymer 0.35 0.24 MP7 MP8 C6H11N1O2 L-peptide linking 0.00 0.00 MP8 MP9 C14H14N6O4 non-polymer 0.00 0.00 MP9 MPA C16H33O3P1 non-polymer 0.00 0.00 MPA MPB C8H8O3 non-polymer 0.97 0.36 MPB MPC C16H33O3P1 non-polymer 0.00 0.00 MPC MPD C6H14O2 non-polymer 0.60 0.75 MPD MPE C12H14N2O3S1 non-polymer 0.43 0.61 MPE MPG C21H40O4 non-polymer 0.91 0.64 MPG MPH C4H12N1O3P1S1 L-peptide linking 0.00 0.00 MPH MPI C7H7N2 non-polymer 0.00 0.00 MPI MPJ C4H12N1O2P1S1 L-peptide linking 0.00 0.00 MPJ MPK C11H11N1O2 non-polymer 0.00 0.00 MPK MPL C9H13N1O6P1 non-polymer 1.00 0.71 MPL MPM C12H20N2O8P2 non-polymer 0.42 0.25 MPM MPN C10H12N5O6P1S2 non-polymer 1.00 0.42 MPN MPO C7H15N1O4S1 non-polymer 0.00 0.00 MPO MPP C11H14O4 non-polymer 0.00 0.00 MPP MPQ C9H11N1O2 L-peptide linking 0.42 0.75 MPQ MPR C3H6O1S1 non-polymer 0.00 0.00 MPR MPS C1H5O2P1 non-polymer 0.00 0.00 MPS MPT C3H6O2S1 non-polymer 0.00 0.00 MPT MPU C9H11N5O4 non-polymer 0.97 0.50 MPU MPV C8H9N3S1 non-polymer 0.00 0.00 MPV MPW C14H14N4O1 non-polymer 0.00 0.00 MPW MPX C12H19N5O2S2 non-polymer 0.00 0.00 MPX MPY C28H31N7O2 non-polymer 0.00 0.00 MPY MPZ C28H29N7O1 non-polymer 0.00 0.00 MPZ MQ0 C24H20N4 non-polymer 0.00 0.00 MQ0 MQ1 C15H14N4O2 non-polymer 0.00 0.00 MQ1 MQ4 C9F3H10N1O3 non-polymer 0.25 0.44 MQ4 MQ7 C46H64O2 non-polymer 0.38 0.69 MQ7 MQ8 C51H72O2 non-polymer 0.38 0.72 MQ8 MQ9 C56H80O2 non-polymer 0.38 0.74 MQ9 MQA C16H19N3O6 non-polymer 0.00 0.00 MQA MQD C6H14O3 non-polymer 0.70 1.00 MQD MQE C66H96O2 non-polymer 0.38 0.78 MQE MQG C7H16N1O7P1 non-polymer 1.00 0.75 MQG MQI C10H9N1O2S1 non-polymer 0.00 0.00 MQI MQJ C17F1H13N2O3S1 non-polymer 0.00 0.00 MQJ MQM C18Cl2H18N6 non-polymer 0.00 0.00 MQM MQN C10H10N2 non-polymer 0.00 0.00 MQN MQO C11H11N1O2 non-polymer 0.00 0.00 MQO MQQ C32H39N3O7S2 non-polymer 0.00 0.00 MQQ MQR C15H17N3O1 non-polymer 0.00 0.00 MQR MQS C15H17N3O1 non-polymer 0.00 0.00 MQS MQT C17H22O8 non-polymer 1.00 0.48 MQT MQU C15H19N5O2 non-polymer 0.67 0.32 MQU MQV C23Cl1H20N7 non-polymer 0.00 0.00 MQV MQY C21F3H16N3O4S1 non-polymer 1.00 0.25 MQY MR0 C33F2H40N4O5 non-polymer 0.00 0.00 MR0 MR1 C8H9N1O2 non-polymer 0.00 0.00 MR1 MR2 C24H15N1O6 non-polymer 0.00 0.00 MR2 MR3 C5H7N1 non-polymer 0.00 0.00 MR3 MR4 C15H13N1O2 non-polymer 0.00 0.00 MR4 MR5 Br2C13H7N1O2 non-polymer 0.00 0.00 MR5 MR6 C15H13N1O1 non-polymer 0.00 0.00 MR6 MR8 C52H81N1O13 non-polymer 0.00 0.00 MR8 MR9 C29F3H27N6O3 non-polymer 0.00 0.00 MR9 MRA C17F3H13N2O3 non-polymer 0.84 0.28 MRA MRC C26H44O9 non-polymer 0.62 0.29 MRC MRD C6H14O2 non-polymer 0.60 0.75 MRD MRE C15H15N3O2 non-polymer 0.20 0.15 MRE MRG C13H20N5O7P1S1 DNA linking 1.00 0.33 MRG MRI C15H10O7 non-polymer 0.00 0.00 MRI MRK C14F1H12N5O1S2 non-polymer 0.00 0.00 MRK MRM C6H12N2O2 non-polymer 0.00 0.00 MRM MRN C17H19N1O2 non-polymer 0.58 0.20 MRN MRO C13H12N2O4 non-polymer 1.00 0.68 MRO MRP C7H14O5 L-saccharide 1.00 0.92 MRP MRR C36H64N7O17P3S1 non-polymer 1.00 0.36 MRR MRS C36H64N7O17P3S1 non-polymer 1.00 0.36 MRS MRT C56H66N6O13 non-polymer 0.50 0.69 MRT MRU C6H13O7P1S1 non-polymer 0.97 0.73 MRU MRV C29F2H41N5O1 non-polymer 0.00 0.00 MRV MRW C9Cl1H6N1O1 non-polymer 0.00 0.00 MRW MRX Br1C13H14N3O3S1 non-polymer 0.00 0.00 MRX MRY C4H10O4 non-polymer 0.97 1.00 MRY MRZ C6H13N3 non-polymer 0.00 0.00 MRZ MS0 C11H10O4 non-polymer 0.00 0.00 MS0 MS1 C32H34N9O15P1 non-polymer 1.00 0.39 MS1 MS2 Br1C14Cl2H16N1O2S1 non-polymer 0.00 0.00 MS2 MS3 C42H52N6O8 non-polymer 0.86 0.64 MS3 MS4 C16Cl1H12N5O3S1 non-polymer 0.00 0.00 MS4 MS5 C18H22N2O5S1 non-polymer 0.00 0.00 MS5 MS7 C17H20N2O2 non-polymer 0.00 0.00 MS7 MS8 C11H17N1O6 non-polymer 0.00 0.00 MS8 MS9 C8Cl1H8N1O2 non-polymer 0.97 0.33 MS9 MSA C4H9N1O2S1 L-peptide linking 0.64 0.88 MSA MSB C7H8O3S1 non-polymer 0.00 0.00 MSB MSC C36Cl1F1H36N2O7 non-polymer 0.86 0.47 MSC MSD C19H18N4O3S1 non-polymer 0.62 0.11 MSD MSE C5H11N1O2Se1 L-peptide linking 0.00 0.00 MSE MSF C3H5O2Se1 non-polymer 0.00 0.00 MSF MSG C11H15N5O4S1 non-polymer 1.00 0.48 MSG MSH C7H16O2S1 non-polymer 0.00 0.00 MSH MSI C20H20N2O5S1 non-polymer 0.00 0.00 MSI MSJ C17H23N3O5S1 non-polymer 0.50 0.19 MSJ MSL C5H12N2O3S1 L-peptide linking 0.00 0.00 MSL MSM C2H6S1 non-polymer 0.00 0.00 MSM MSN C6H13N1O3S1 non-polymer 1.00 0.82 MSN MSO C5H11N1O3Se1 L-peptide linking 0.00 0.00 MSO MSP C15H25N7O7S2 L-peptide linking 1.00 0.32 MSP MSQ C17H17N3O2S1 non-polymer 0.00 0.00 MSQ MSR C9H8N2O1 non-polymer 0.00 0.00 MSR MSS C10H13N5O7P1S2 non-polymer 1.00 0.40 MSS MST C10H19N5S1 non-polymer 1.00 0.75 MST MSU C5H8O4 non-polymer 0.96 0.89 MSU MSW C13H20N1O5P1 non-polymer 0.00 0.00 MSW MSX C7H14O4S2 non-polymer 1.00 0.77 MSX MSY C10H11N3O3S1 non-polymer 0.00 0.00 MSY MSZ C15Cl1F3H10O3 non-polymer 0.00 0.00 MSZ MT0 C9Cl1H7N2 non-polymer 0.00 0.00 MT0 MT1 C20H23N8O5 non-polymer 0.68 0.36 MT1 MT2 C7H16N1O2S1 L-peptide linking 0.00 0.00 MT2 MT3 C29F1H24N3O4 non-polymer 0.00 0.00 MT3 MT4 C28F2H22N4O4 non-polymer 0.00 0.00 MT4 MT5 C15H30N3O4 non-polymer 1.00 0.55 MT5 MT6 C15H11N1O4 non-polymer 0.97 0.20 MT6 MT7 C42H72O36 non-polymer 1.00 1.00 MT7 MT8 C13H15N1O2 non-polymer 0.00 0.00 MT8 MT9 C25H43N1O7 non-polymer 1.00 0.30 MT9 MTA C11H15N5O3S1 non-polymer 1.00 0.45 MTA MTB C17H18N2O3 non-polymer 0.38 0.09 MTB MTC C18H17N1O4S3 non-polymer 0.00 0.00 MTC MTD C3H5O2Te1 non-polymer 0.00 0.00 MTD MTE C10H14N5O6P1S2 non-polymer 1.00 0.42 MTE MTF C2H5N1S1 non-polymer 0.00 0.00 MTF MTG C3H5O2S1 non-polymer 0.00 0.00 MTG MTH C12H16N4O3S1 non-polymer 1.00 0.45 MTH MTI C12H17N4O3S1 non-polymer 0.00 0.00 MTI MTJ C11H15N1O3 non-polymer 0.50 0.53 MTJ MTK C35Cl1H36N1O3S1 non-polymer 0.42 0.17 MTK MTL C6H14O6 non-polymer 0.99 1.00 MTL MTM C12H19N5O2S1 non-polymer 0.00 0.00 MTM MTN C10H18N1O3S2 non-polymer 0.00 0.00 MTN MTO H2O1 non-polymer 0.00 0.00 MTO MTP C11H14N4O4S1 non-polymer 1.00 0.50 MTP MTQ C10H9N5O8P1S2 non-polymer 1.00 0.38 MTQ MTR C11H16N1O7P1 DNA linking 0.00 0.00 MTR MTS C9H14N2O4S3 non-polymer 0.00 0.00 MTS MTT C24H42O21 D-saccharide 1.00 1.00 MTT MTU C10H14N5O7P1 RNA linking 1.00 0.43 MTU MTV C10H10N5O8P1S2 non-polymer 1.00 0.38 MTV MTW C19H15N7O2 non-polymer 0.00 0.00 MTW MTX C20H22N8O5 non-polymer 0.68 0.36 MTX MTY C9H11N1O3 L-peptide linking 0.00 0.00 MTY MTZ C18H20N6O1S1 non-polymer 0.00 0.00 MTZ MU0 C37H45N5O6 non-polymer 0.00 0.00 MU0 MU1 C37H44N4O7 non-polymer 0.62 0.06 MU1 MU2 C19H32N4O11 non-polymer 1.00 0.91 MU2 MUA C6H6N4O3 non-polymer 0.00 0.00 MUA MUB C11H19N1O8 D-saccharide 1.00 1.00 MUB MUC C6H6O4 non-polymer 0.00 0.00 MUC MUD C10H16N2O7S1 non-polymer 0.68 0.90 MUD MUF C27H32O4 non-polymer 0.00 0.00 MUF MUG C16H18O8 D-saccharide 1.00 0.50 MUG MUH C24F3H18N5O1 non-polymer 0.00 0.00 MUH MUI C33H39N3O8S1 non-polymer 0.62 0.07 MUI MUJ C20H22N4O3 non-polymer 0.00 0.00 MUJ MUL C28H47N1O4S1 non-polymer 0.38 0.18 MUL MUM C10H17N2O8P1 RNA linking 1.00 0.86 MUM MUN C14H26O4 non-polymer 0.99 0.67 MUN MUP C12H27O3P1 non-polymer 0.00 0.00 MUP MUR C9H17N1O7 D-saccharide 1.00 1.00 MUR MUS C21H25N1O11 non-polymer 1.00 0.64 MUS MUT C33H39N3O8S1 non-polymer 0.62 0.07 MUT MUU C26H35N3O6S1 non-polymer 0.00 0.00 MUU MUV C23H31N3O6S1 non-polymer 0.00 0.00 MUV MUW C34H46N4O6S1 non-polymer 0.00 0.00 MUW MUX C10H8O6S1 non-polymer 0.00 0.00 MUX MUY C19H22N3O6P1 non-polymer 0.00 0.00 MUY MV1 C18H36N2O4 non-polymer 0.65 0.42 MV1 MV2 C9H19N1O4 non-polymer 0.68 1.00 MV2 MV7 C45F2H55N5O10S1 non-polymer 0.75 0.41 MV7 MV9 C6H13N1O2 D-peptide linking 0.62 1.00 MV9 MVA C6H13N1O2 L-peptide linking 0.62 1.00 MVA MVB C18H26O4 non-polymer 0.00 0.00 MVB MVC C21H40O4 non-polymer 0.98 0.64 MVC MVD C28H46O3 non-polymer 0.55 0.19 MVD MVF C22H32N6O3 non-polymer 0.00 0.00 MVF MVG C21H19N5O2 non-polymer 0.36 0.14 MVG MVH C6H12N1O5P1 non-polymer 0.83 0.85 MVH MVI C35H57N1O11 non-polymer 1.00 0.45 MVI MVJ C18H23N1O2 non-polymer 0.00 0.00 MVJ MVL C8H12N2O4 non-polymer 1.00 0.86 MVL MVM C22Cl1H20N7O1 non-polymer 0.00 0.00 MVM MVN C10Cl1H8N1O1 non-polymer 0.00 0.00 MVN MVP C13H25O13P1 saccharide 1.00 0.85 MVP MW1 H2Mn1O1 non-polymer 0.00 0.00 MW1 MW2 H4Mn1O2 non-polymer 0.00 0.00 MW2 MW3 H6Mn1O3 non-polymer 0.00 0.00 MW3 MW5 C12Cl1H9N4O1 non-polymer 0.00 0.00 MW5 MWB C18H21N7 non-polymer 0.00 0.00 MWB MWG C10F2H18O7P2 non-polymer 0.50 0.33 MWG MWL C23H21N7 non-polymer 0.00 0.00 MWL MWM C7F1H7O1 non-polymer 0.00 0.00 MWM MWP C8H7N1O2S1 non-polymer 0.00 0.00 MWP MWS C21H24O6 non-polymer 0.65 0.44 MWS MWV C29F1H38N3O3 non-polymer 0.98 0.17 MWV MWY C24H38N4O4S1 non-polymer 0.00 0.00 MWY MX1 C18H18N2O10 non-polymer 0.83 0.63 MX1 MX3 C14H19N3O4 non-polymer 0.56 0.62 MX3 MX4 C13H16N2O5 non-polymer 0.65 0.60 MX4 MX5 C15H19N3O4 non-polymer 0.00 0.00 MX5 MX7 C39H73O8P1 non-polymer 0.98 0.54 MX7 MXA C17H19N5O2 non-polymer 0.00 0.00 MXA MXC C16H18N4O8S1 non-polymer 0.59 0.31 MXC MXD C9H15N5O1 non-polymer 1.00 0.60 MXD MXE C3H8O2 non-polymer 0.67 1.00 MXE MXF C17H22N4O7S1 non-polymer 0.59 0.31 MXF MXG C24H36N6O9S1 non-polymer 0.53 0.38 MXG MXI C23H24N4O1 non-polymer 0.38 0.07 MXI MXL C20H20N6O9S1 non-polymer 1.00 0.22 MXL MXM C14H13N3O4S2 non-polymer 0.00 0.00 MXM MXN C8H7N1O1 non-polymer 0.27 0.70 MXN MXP C23H31N1O6 non-polymer 1.00 0.83 MXP MXR C17H27N3O5S1 non-polymer 0.50 0.35 MXR MXS C16H19N3O7S1 non-polymer 0.55 0.30 MXS MXT C13H22N2O3 non-polymer 0.00 0.00 MXT MXX C13H15N1O3 non-polymer 0.00 0.00 MXX MXY C7H14O5 saccharide 1.00 0.92 MXY MXZ C7H14O5 non-polymer 1.00 0.92 MXZ MY0 C6H10N2O6 peptide-like 0.89 0.93 MY0 MY1 C20H23N3O5 non-polymer 0.61 0.46 MY1 MY2 C13H16N2O6 non-polymer 0.88 0.62 MY2 MY3 C13H17N3O5 non-polymer 0.61 0.62 MY3 MY4 C14H19N3O5 non-polymer 0.61 0.59 MY4 MY5 C16H22N4O6 non-polymer 0.61 0.69 MY5 MY6 C6H7N5O1 non-polymer 0.00 0.00 MY6 MY7 C18H14N4O3 non-polymer 0.00 0.00 MY7 MY8 C29H49N1O6 non-polymer 1.00 0.28 MY8 MY9 C33F1H40N5O6S1 non-polymer 0.31 0.17 MY9 MYA C35H62N7O17P3S1 non-polymer 1.00 0.37 MYA MYB C20H39N1O4 non-polymer 0.71 0.52 MYB MYC C15H10O8 non-polymer 0.00 0.00 MYC MYD C23H29N5O13P2 non-polymer 1.00 0.40 MYD MYE Br1C20H29N2O4 non-polymer 0.39 0.70 MYE MYF C15H10O7 non-polymer 0.00 0.00 MYF MYG C12H23N1O10 non-polymer 1.00 1.00 MYG MYI C11H11N1O3 non-polymer 0.00 0.00 MYI MYJ C7H7N1O3 non-polymer 0.00 0.00 MYJ MYK C20H40N2O3 L-peptide linking 0.00 0.00 MYK MYL C24H41N1O10 non-polymer 1.00 0.46 MYL MYM C31H51N2O9P1S1 non-polymer 0.62 0.23 MYM MYN C6H12N4O2 L-peptide linking 0.00 0.00 MYN MYP C31H42N4O5S1 non-polymer 0.28 0.12 MYP MYQ Au1C4H5O4S1 non-polymer 0.96 0.80 MYQ MYR C14H28O2 non-polymer 0.00 0.00 MYR MYS C15H32 non-polymer 0.00 0.00 MYS MYT C14H14N2O1 non-polymer 0.38 0.47 MYT MYU C15H10O8 non-polymer 0.00 0.00 MYU MYV C37H61N1O12 non-polymer 1.00 0.42 MYV MYX C25H33N3O3S2 non-polymer 0.50 0.58 MYX MYY C33H65O8P1 non-polymer 0.98 0.33 MYY MYZ C14H26O2 non-polymer 0.42 0.38 MYZ MZ0 C4H6N2O1 non-polymer 0.00 0.00 MZ0 MZ1 C26F3H28N3O5S2 non-polymer 0.00 0.00 MZ1 MZ2 C26F6H24N2O4S2 non-polymer 0.38 0.05 MZ2 MZ3 C30F1H31N2O5S2 non-polymer 0.00 0.00 MZ3 MZ4 C29H30N2O7S2 non-polymer 0.00 0.00 MZ4 MZ5 C27H37N3O5S2 non-polymer 0.59 0.22 MZ5 MZ6 C29H33N3O5S2 non-polymer 0.00 0.00 MZ6 MZ7 C29H40N4O5S2 non-polymer 0.00 0.00 MZ7 MZ8 C28H31N3O5S2 non-polymer 0.00 0.00 MZ8 MZ9 C28H40N2O6S1 non-polymer 0.00 0.00 MZ9 MZA C23Cl1F1H21N3O3S1 non-polymer 0.00 0.00 MZA MZB C6H13N1O4S1 non-polymer 1.00 0.75 MZB MZC C14H17N3O3 non-polymer 0.00 0.00 MZC MZD C31H51N2O10P1S1 non-polymer 0.62 0.22 MZD MZG C7Cl1H7O1 non-polymer 0.00 0.00 MZG MZH C10H12N2O5 non-polymer 0.00 0.00 MZH MZJ C25H27N5O2 non-polymer 0.38 0.16 MZJ MZL C22H19N5O1 non-polymer 0.00 0.00 MZL MZM C5H8N4O3S2 non-polymer 0.00 0.00 MZM MZO C12H11N5O1 non-polymer 0.00 0.00 MZO MZP C9H12N3O9P1 non-polymer 1.00 0.45 MZP MZR C9H13N3O6 non-polymer 1.00 0.56 MZR MZS C12F1H9N2O4 non-polymer 0.00 0.00 MZS MZT C8H18N1O2 non-polymer 0.41 0.55 MZT MZX C12H13N1O3 non-polymer 0.00 0.00 MZX MZY C3H4N2S1 non-polymer 0.00 0.00 MZY MZZ C10H9N3O1 non-polymer 0.00 0.00 MZZ N C5H11O7P1 RNA linking 1.00 0.69 N N01 C22H26N6O17P3 non-polymer 1.00 0.54 N01 N02 C26H46N4O10S1 non-polymer 0.56 0.12 N02 N04 C23H20N2O8S1 non-polymer 0.68 0.35 N04 N05 C25F1H30N5O3 non-polymer 0.00 0.00 N05 N09 C19Cl1H14N3O4 non-polymer 0.00 0.00 N09 N0B C25H36N7O10P1 non-polymer 1.00 0.40 N0B N0J C32Cl1H39N2O5S1 non-polymer 0.00 0.00 N0J N0M C31Cl1H39N2O5S1 non-polymer 0.00 0.00 N0M N0P C26Cl1H31N2O5S1 non-polymer 0.00 0.00 N0P N0S C31Cl1H37N2O5S1 non-polymer 0.00 0.00 N0S N0V C39H40N8O3 non-polymer 0.46 0.14 N0V N10 C10H20N2O4 L-peptide linking 0.83 0.44 N10 N11 C12H15N3O4S1 non-polymer 0.00 0.00 N11 N12 C24H36N6O4 non-polymer 0.00 0.00 N12 N13 C25F1H18N7O1 non-polymer 0.00 0.00 N13 N15 C24H25N7O1 non-polymer 0.00 0.00 N15 N16 C19H18N2O2 non-polymer 0.38 0.09 N16 N17 C22H18N4O2 non-polymer 0.00 0.00 N17 N19 C18H21N3O3S1 non-polymer 0.00 0.00 N19 N1B B9C16H14N1O4 non-polymer 0.56 0.20 N1B N1D C22H25N3O6S2 non-polymer 0.00 0.00 N1D N1G C17H13N7O1 non-polymer 0.00 0.00 N1G N1H C21H16N4O5 non-polymer 0.00 0.00 N1H N1L C6H11N1O6 D-saccharide 1.00 1.00 N1L N1M C8H8I1N1O1 non-polymer 0.50 0.36 N1M N1P C3H7N1O2 non-polymer 0.00 0.00 N1P N1S C15H26O1 non-polymer 0.75 1.00 N1S N1T C13H19N3O7P2S1 non-polymer 0.00 0.00 N1T N1V C28H35N1O3S1 non-polymer 0.25 0.06 N1V N1Y C10Cl1H11N4O2 non-polymer 0.00 0.00 N1Y N1Z C13H26N2O7P2 non-polymer 0.00 0.00 N1Z N20 C18H21N5O2 non-polymer 0.00 0.00 N20 N21 C22H20N2O9S2 non-polymer 0.68 0.29 N21 N22 C17H20N4O2 non-polymer 0.00 0.09 N22 N23 C16H16N2O1S1 non-polymer 0.00 0.00 N23 N24 Br1C15Cl1H11N1O2S1 non-polymer 0.00 0.00 N24 N25 C21H27N3O8S2 non-polymer 0.00 0.00 N25 N26 C10H10O8P2 non-polymer 0.00 0.00 N26 N27 C30H37N1O1 non-polymer 0.25 0.06 N27 N2A C34Cl2F1H33N6O3 non-polymer 0.00 0.00 N2A N2B C8H10 non-polymer 0.00 0.00 N2B N2C C5H11N1O2S1 L-peptide linking 0.61 0.78 N2C N2D C34Cl2H34N6O3 non-polymer 0.00 0.00 N2D N2F C11H9N1O5S1 non-polymer 0.00 0.00 N2F N2G C21H22N5O7P1 non-polymer 1.00 0.26 N2G N2H C5H14N2O2 non-polymer 0.00 0.00 N2H N2I C11H9N1 non-polymer 0.00 0.00 N2I N2J C28H36N2O2S1 non-polymer 0.25 0.06 N2J N2M C10H9N1O3S1 non-polymer 0.00 0.00 N2M N2N C26Cl2H31N3O8Pt1 non-polymer 0.00 0.00 N2N N2O N2O1 non-polymer 0.00 0.00 N2O N2P C5H14N2 non-polymer 0.00 0.00 N2P N2R C26Cl2H31N3O8Pt1 non-polymer 0.00 0.00 N2R N2S C26Cl1H31N3O8Pt1 non-polymer 0.00 0.00 N2S N2T C23F2H25N3O1 non-polymer 0.00 0.00 N2T N2W C26Cl1H31N3O8Pt1 non-polymer 0.00 0.00 N2W N2Y C9Cl1H11N4 non-polymer 0.00 0.00 N2Y N30 C17H34N4O10 non-polymer 1.00 1.00 N30 N32 C24H27N1O6 non-polymer 0.00 0.00 N32 N33 C19H38N4O12 non-polymer 1.00 0.97 N33 N34 C21H29N5O6S2 non-polymer 0.38 0.06 N34 N35 C21H28N6O6S2 non-polymer 1.00 0.34 N35 N38 C26H41N3O7S1 non-polymer 0.00 0.00 N38 N3A C24H27N1O7 non-polymer 0.00 0.00 N3A N3B C27F1H22N3O5S2 non-polymer 0.00 0.00 N3B N3C C42Cl1H45N6O5S2 non-polymer 0.20 0.05 N3C N3D C4H12N2 non-polymer 0.00 0.00 N3D N3E C15H21N3O7 non-polymer 1.00 0.40 N3E N3F C19H16N2O1 non-polymer 0.00 0.00 N3F N3H C21H23N5O6S3 non-polymer 0.00 0.00 N3H N3M C8H10N2O1 non-polymer 0.00 0.00 N3M N3P C17Cl1H13N1O5P1 non-polymer 0.00 0.00 N3P N3T C13H19N3O7P2S1 non-polymer 0.00 0.00 N3T N40 C24H45N3O5S1 non-polymer 0.00 0.00 N40 N41 C19H22N6O2 non-polymer 0.00 0.00 N41 N42 C38H41N5O5 non-polymer 0.38 0.19 N42 N44 C27H25N2O5 non-polymer 0.36 0.12 N44 N45 C17H20N6O2 non-polymer 0.00 0.00 N45 N48 C19H17N3O4S1 non-polymer 0.00 0.00 N48 N4A C29H24N6O4S1 non-polymer 1.00 0.22 N4A N4B C10H14 non-polymer 0.00 0.00 N4B N4C C26H29N7O3 non-polymer 1.00 0.31 N4C N4D C20H18N6O1 non-polymer 0.50 0.15 N4D N4E C10H13N1O2 non-polymer 0.00 0.00 N4E N4I C26F3H27N4O4S1 non-polymer 0.00 0.00 N4I N4M C30H45N6O16P1 non-polymer 1.00 0.57 N4M N4P C10H26N4 non-polymer 0.00 0.00 N4P N4R C19H23N3O3 non-polymer 0.00 0.00 N4R N4S C19H37N6O7P1 DNA linking 1.00 0.27 N4S N4T C21F2H20N2O1 non-polymer 0.00 0.00 N4T N50 C11H16N2O4 non-polymer 0.69 0.35 N50 N53 C33H36N6O3 non-polymer 0.00 0.00 N53 N56 C18Cl3H18N5 non-polymer 0.00 0.00 N56 N57 C24H49N1O8 non-polymer 1.00 0.64 N57 N58 C20H23N5O1S1 non-polymer 0.38 0.07 N58 N5A C12H17N7O4 non-polymer 1.00 0.48 N5A N5B C13H13N3O1 non-polymer 0.00 0.00 N5B N5C C9H15N4O16P3 non-polymer 1.00 0.56 N5C N5F C14H21N2O9P1 non-polymer 0.00 0.00 N5F N5G C20H38N7O10P1 non-polymer 0.68 0.26 N5G N5I C13H15N2O8P1 DNA linking 1.00 0.38 N5I N5M C9H13N4O10P1 RNA linking 1.00 0.75 N5M N5N C26H34N6O6S1 non-polymer 0.00 0.00 N5N N5O C12H16N6O5 non-polymer 1.00 0.61 N5O N5P C13H17N2O14P3 non-polymer 1.00 0.28 N5P N5T C19F2H18N2O1 non-polymer 0.20 0.12 N5T N5Y C19H18N4O3 non-polymer 1.00 0.50 N5Y N61 C20H23N5O2 non-polymer 0.38 0.07 N61 N66 C33H39N7O2 non-polymer 0.00 0.00 N66 N68 C6H16N1O4P1 non-polymer 0.00 0.00 N68 N69 C15H23N5O1 non-polymer 0.00 0.00 N69 N6A C18H18N4O4S1 non-polymer 1.00 0.37 N6A N6C C6H13N1O2 non-polymer 0.00 0.00 N6C N6G C10H15N6O7P1 RNA linking 1.00 0.42 N6G N6L C21Cl2H23N3O2 non-polymer 0.00 0.00 N6L N6M C6H7N5 non-polymer 0.00 0.00 N6M N6P C20H19N4O7P1 non-polymer 1.00 0.31 N6P N6R C19H22N5O6P1 non-polymer 1.00 0.32 N6R N6S C19H22N5O6P1 non-polymer 1.00 0.32 N6S N6T C11H20N3O12P3 non-polymer 1.00 0.59 N6T N6Y C11H10N2 non-polymer 0.00 0.00 N6Y N73 C20H24N2O5S1 non-polymer 0.58 0.43 N73 N75 C28Cl1H20N1O6 non-polymer 0.00 0.06 N75 N76 C18H22N6O3S1 non-polymer 0.00 0.00 N76 N77 C15F3H11N4O3S1 non-polymer 0.00 0.00 N77 N79 B1C17H18N5O8P1 non-polymer 1.00 0.31 N79 N7E C15H31N2O8P1 non-polymer 0.62 0.58 N7E N7F C29H27N7O1 non-polymer 0.00 0.00 N7F N7G C15H30N2O4 non-polymer 0.58 0.67 N7G N7H C34Fe1H29N5O6 non-polymer 0.38 0.09 N7H N7I C10H12O3 non-polymer 0.75 0.23 N7I N7N C25H30N4O6 non-polymer 0.72 0.23 N7N N7O C19Cl1F2H15N1O3P1S1 non-polymer 0.20 0.11 N7O N7P C7H11N1O3 L-peptide linking 0.00 0.00 N7P N7R C26F5H27N6O3 non-polymer 0.00 0.00 N7R N80 C7H11N1O2 L-peptide linking 0.00 0.00 N80 N81 C6H8O7 non-polymer 0.84 1.00 N81 N85 C16H19N3O7 non-polymer 1.00 0.58 N85 N87 C20H18O6 non-polymer 0.00 0.00 N87 N88 C12H19N1O6 non-polymer 0.50 0.37 N88 N8C C8H17N1O2 non-polymer 0.00 0.00 N8C N8E C18H38O6 non-polymer 0.88 0.79 N8E N8G C8F1H13N3O12P3S1 non-polymer 1.00 0.29 N8G N8J C27Cl2H26N2O4S1 non-polymer 0.00 0.00 N8J N8M C13H20N6O3 non-polymer 1.00 0.45 N8M N8N C14Cl1H11N2O1S1 non-polymer 0.00 0.00 N8N N8P C7H11N1O3 D-peptide linking 0.00 0.00 N8P N8T C34H41N3S1 non-polymer 0.00 0.00 N8T N8V C15H29N1O4 non-polymer 0.00 0.00 N8V N8Y C9H9N3O1 non-polymer 0.00 0.00 N8Y N91 C10H11N3O1 non-polymer 0.00 0.00 N91 N93 C16Cl3H16N5 non-polymer 0.00 0.00 N93 N95 B1C7Cl1H6N4O2 non-polymer 0.00 0.00 N95 N9H C21F2H24N4O1 non-polymer 0.00 0.00 N9H N9J C8H9N1O3 non-polymer 0.00 0.00 N9J N9M C9H9N1O5 non-polymer 0.00 0.00 N9M N9S C12H22O11 D-saccharide 1.00 1.00 N9S N9V C26H40N7O19P3S1 non-polymer 1.00 0.50 N9V N9Y C20H29N5O4 non-polymer 0.00 0.00 N9Y NA Na1 non-polymer 0.00 0.00 NA NA0 C22H29N6O17P3 non-polymer 1.00 0.54 NA0 NA1 C9H17N1O6 non-polymer 1.00 0.94 NA1 NA2 H4Na1O2 non-polymer 0.00 0.00 NA2 NA3 Br1C10H9N2O4 non-polymer 0.61 0.59 NA3 NA4 C17H14N2O6 non-polymer 0.61 0.40 NA4 NA5 H10Na1O5 non-polymer 0.00 0.00 NA5 NA6 H12Na1O6 non-polymer 0.00 0.00 NA6 NA7 C15H24N5O16P3 non-polymer 1.00 0.56 NA7 NA8 C13H14N1O2 L-peptide linking 0.00 0.00 NA8 NA9 C22H34N6O4 non-polymer 0.50 0.53 NA9 NAA C8H15N1O6 D-saccharide 1.00 1.00 NAA NAB C17H12N2O3 non-polymer 0.00 0.00 NAB NAC C22H28N6O14P2 non-polymer 1.00 0.59 NAC NAD C21H27N7O14P2 non-polymer 1.00 0.52 NAD NAE C24H31N7O15P2 non-polymer 1.00 0.48 NAE NAF C11F3H15N1O2 non-polymer 0.20 0.18 NAF NAG C8H15N1O6 D-saccharide 1.00 1.00 NAG NAH C21H27N7O14P2 non-polymer 1.00 0.52 NAH NAI C21H29N7O14P2 non-polymer 1.00 0.52 NAI NAJ C21H27N7O14P2 non-polymer 1.00 0.52 NAJ NAK C3H5N1O2 non-polymer 0.90 0.67 NAK NAL C13H13N1O2 L-peptide linking 0.00 0.00 NAL NAM C13H14N2O1 L-peptide linking 0.00 0.00 NAM NAN C11H19N1O9 non-polymer 1.00 1.00 NAN NAO H2Na1O1 non-polymer 0.00 0.00 NAO NAP C21H28N7O17P3 non-polymer 1.00 0.48 NAP NAQ C26H35N7O15P2 non-polymer 1.00 0.46 NAQ NAR C15H12O5 non-polymer 0.00 0.00 NAR NAS C10H8O3S1 non-polymer 0.00 0.00 NAS NAT C14H16N2O3S1 non-polymer 0.75 0.25 NAT NAU C11H21N1O9 non-polymer 0.98 1.00 NAU NAV C11H19N1O8 non-polymer 0.98 1.00 NAV NAW H6Na1O3 non-polymer 0.00 0.00 NAW NAX C21H31N7O15P2 non-polymer 1.00 0.51 NAX NAY C11H19N1O8 non-polymer 0.97 1.00 NAY NAZ C24H25N7O3 non-polymer 0.00 0.00 NAZ NB1 C10H17N1O4S1 non-polymer 1.00 0.69 NB1 NB4 C22F1H36N7O4 non-polymer 1.00 0.26 NB4 NB8 C14H20N7O10P1 L-peptide linking 1.00 0.62 NB8 NBA C10H25N3O2 non-polymer 0.00 0.00 NBA NBB C10H15N1O2S1 non-polymer 0.00 0.00 NBB NBC C25H41N8O19P3S1 non-polymer 1.00 0.41 NBC NBD C28H33N7O14P2 non-polymer 1.00 0.45 NBD NBE C6H5N1O1 non-polymer 0.00 0.00 NBE NBF B1C14H16N1O4 non-polymer 0.00 0.00 NBF NBG C8H15N1O6 D-saccharide 1.00 1.00 NBG NBH C27H32N2O3S1 non-polymer 0.00 0.00 NBH NBI C13H10N2O3 non-polymer 0.00 0.00 NBI NBL C19H26N4O3 non-polymer 0.00 0.00 NBL NBM C17H17N5O6S1 non-polymer 1.00 0.34 NBM NBN C5H9N1 non-polymer 0.00 0.00 NBN NBO C15H16O2 non-polymer 0.00 0.00 NBO NBP Br1C21H27N7O17P3 non-polymer 1.00 0.47 NBP NBQ C23H22N2O6 L-peptide linking 0.50 0.23 NBQ NBR C30H36N4O2 non-polymer 0.20 0.08 NBR NBS C17H21N5O10P2 non-polymer 1.00 0.29 NBS NBT C4H9N1O2 non-polymer 0.00 0.00 NBT NBU C4H10 non-polymer 0.00 0.00 NBU NBV C10H21N1O4 non-polymer 1.00 0.73 NBV NBX C14H19N3O7 non-polymer 1.00 0.62 NBX NBY C14H17N3O9 non-polymer 1.00 0.58 NBY NBZ C6H5N1O2 non-polymer 0.00 0.00 NBZ NC C1H5N1 non-polymer 0.00 0.00 NC NC1 C24H21N5O11S2 L-peptide linking 0.81 0.17 NC1 NC2 C24H23N5O11S2 non-polymer 0.83 0.17 NC2 NC3 C9H16N2O3 non-polymer 0.00 0.00 NC3 NC4 C11H20N2O3 non-polymer 0.00 0.00 NC4 NC5 C33H45N5O2 non-polymer 0.00 0.00 NC5 NC6 C13H24N2O3 non-polymer 0.00 0.00 NC6 NC7 C14H26N2O3 non-polymer 0.00 0.00 NC7 NC8 Br1C30H34N4O3 non-polymer 0.45 0.18 NC8 NC9 C23H31N4O2 non-polymer 0.00 0.00 NC9 NCA C6H6N2O1 non-polymer 0.00 0.00 NCA NCB C4H8N2O3 L-peptide linking 0.64 0.67 NCB NCC C20H31N4O16P1 non-polymer 1.00 0.76 NCC NCD C5H8N2O5 non-polymer 0.86 0.75 NCD NCE C27H33N5O4 non-polymer 0.00 0.00 NCE NCF C13H14N2O4S2 non-polymer 0.00 0.00 NCF NCG C45H52N4O18S1 non-polymer 1.00 0.16 NCG NCH C11H18N2O6P1 non-polymer 0.50 0.25 NCH NCI C33H45N5O2 non-polymer 0.00 0.00 NCI NCJ C31H41N5O2 non-polymer 0.00 0.00 NCJ NCK C31H41N5O2 non-polymer 0.00 0.00 NCK NCL C31H41N5O2 non-polymer 0.00 0.00 NCL NCM C7H10O1 non-polymer 0.00 0.00 NCM NCN C11H14N1O9P1 non-polymer 1.00 0.45 NCN NCO Co1H18N6 non-polymer 0.00 0.00 NCO NCP Cl2H4N2Pt1 non-polymer 0.00 0.00 NCP NCQ C31H41N5O2 non-polymer 0.00 0.00 NCQ NCR C7H7N1O3 non-polymer 0.00 0.00 NCR NCS C35H36N1O12 non-polymer 1.00 0.23 NCS NCT C10H14N2 non-polymer 0.00 0.00 NCT NCU C12H19N4O8P1 DNA linking 1.00 0.48 NCU NCV C10H16N2O4 non-polymer 1.00 0.94 NCV NCW C15H28N2O4S1 non-polymer 1.00 0.50 NCW NCX C14H16N3O9P1 DNA linking 1.00 0.33 NCX NCY C4H9N1O2S1 L-peptide linking 0.61 0.88 NCY NCZ C18H18O6 non-polymer 0.00 0.00 NCZ ND1 C30F4H29N5O2 non-polymer 0.50 0.29 ND1 ND3 C9H14O6 non-polymer 0.00 0.00 ND3 ND4 D4N1 non-polymer 0.00 0.00 ND4 ND7 C10H15N6O6P1 non-polymer 1.00 0.43 ND7 NDA C21H29N7O13P2 non-polymer 1.00 0.53 NDA NDB C7H18N1O4S1 non-polymer 0.43 0.38 NDB NDC C27H35N7O15P2 non-polymer 1.00 0.45 NDC NDD C12H8O4 non-polymer 0.00 0.00 NDD NDE C24H32N7O20P3 non-polymer 1.00 0.50 NDE NDF C11H11N1O5 D-peptide linking 0.58 0.71 NDF NDG C8H15N1O6 D-saccharide 1.00 1.00 NDG NDH C10H10O2 non-polymer 0.00 0.00 NDH NDJ C11H22N2O4S1 non-polymer 1.00 0.61 NDJ NDM C7H14N5O1 non-polymer 0.00 0.00 NDM NDN C9H12N3O10P1 DNA linking 1.00 0.74 NDN NDO C21H27N6O18P3 non-polymer 1.00 0.48 NDO NDP C21H30N7O17P3 non-polymer 1.00 0.48 NDP NDR C20H26O2 non-polymer 0.00 0.00 NDR NDS C7H17N1O3S1 non-polymer 0.29 0.33 NDS NDT B1C14H13N2O3S1 non-polymer 0.00 0.00 NDT NDU C9H14N3O10P1 DNA linking 1.00 0.74 NDU NDV C16H21N3O4S1 non-polymer 0.00 0.00 NDV NDY C15H18O6 non-polymer 0.00 0.00 NDY NDZ C11H17N1O8 non-polymer 1.00 0.80 NDZ NE1 C12Cl5H5O1 non-polymer 0.00 0.00 NE1 NE2 C12Cl4H6O1 non-polymer 0.00 0.00 NE2 NE6 C23H31N1O6 non-polymer 1.00 0.67 NE6 NE7 C30H42N2O8S1 non-polymer 0.00 0.00 NE7 NE8 C17H15N5O1 non-polymer 0.00 0.00 NE8 NEA C12H18N6O3S1 non-polymer 1.00 0.41 NEA NEB C6H15N2O3 non-polymer 1.00 1.00 NEB NEC C12H16N6O4 non-polymer 1.00 0.59 NEC NED C6H16N2O4 D-saccharide 1.00 1.00 NED NEE C18Cl1H17N2O1 non-polymer 0.00 0.00 NEE NEG C9H20N4O4 non-polymer 0.71 0.35 NEG NEH C2H7N1 non-polymer 0.00 0.00 NEH NEI C12H15I1N6O4 non-polymer 1.00 0.57 NEI NEJ C30H42N2O8S1 non-polymer 0.00 0.00 NEJ NEM C7H11N3O2 L-peptide linking 0.00 0.00 NEM NEN C6H9N1O2 non-polymer 0.00 0.00 NEN NEO C9H11N5O4 non-polymer 0.97 0.50 NEO NEP C6H10N3O5P1 L-peptide linking 0.00 0.00 NEP NEQ C6H7N1O2 non-polymer 0.00 0.00 NEQ NER C24H46O2 non-polymer 0.42 0.23 NER NES C6H15N1O6S1 non-polymer 0.72 0.57 NES NET C8H20N1 non-polymer 0.00 0.00 NET NEU C9H11N5O4 non-polymer 0.97 0.50 NEU NEV C15H14N4O1 non-polymer 0.00 0.00 NEV NEW C12Cl4H6O2 non-polymer 0.00 0.00 NEW NEX C40H56O4 non-polymer 1.00 0.50 NEX NEZ C18H17N5O1 non-polymer 0.00 0.00 NEZ NF C31H30N4O4 non-polymer 0.00 0.00 NF NF1 C18H16N4O2S1 non-polymer 0.00 0.00 NF1 NF2 C12F2H15O7P1 RNA linking 1.00 0.55 NF2 NF4 C31H44N2O8S1 non-polymer 0.00 0.00 NF4 NF5 Br1C17H17N2O1 non-polymer 0.00 0.00 NF5 NF6 C20H21N5O2S1 non-polymer 0.20 0.11 NF6 NF7 C29H40N2O9S1 non-polymer 0.00 0.00 NF7 NFA C9H12N2O1 L-peptide linking 0.00 0.00 NFA NFB C3Fe1H2N1Ni1O3 non-polymer 0.95 0.56 NFB NFC C3Fe1H2N1Ni1O4 non-polymer 0.95 0.50 NFC NFD C21F1H26N7O14P2 non-polymer 1.00 0.51 NFD NFE C2Fe1H1Ni1O3S2 non-polymer 0.00 0.00 NFE NFF C21H24N2O5S1 non-polymer 0.35 0.28 NFF NFG C12F1H13N2O9 non-polymer 1.00 0.46 NFG NFH C15H29N3O4 non-polymer 0.45 0.86 NFH NFJ C31H44N2O8S1 non-polymer 0.00 0.00 NFJ NFK C11H12N2O4 non-polymer 0.56 0.47 NFK NFL C13F3H9N2O2 non-polymer 0.00 0.00 NFL NFM C7H10N4O1 non-polymer 0.00 0.00 NFM NFN C21H21N2O5S1 non-polymer 0.00 0.00 NFN NFO C3Fe1H2N1Ni1O3 non-polymer 0.95 0.56 NFO NFP C17H19N1O2S1 non-polymer 0.28 0.24 NFP NFQ C5H8N2O4 non-polymer 0.86 0.82 NFQ NFR C3Fe1H2N1Ni1O2 non-polymer 0.95 0.62 NFR NFS FE4NI1S5 non-polymer 0.00 0.00 NFS NFT C22F3H29N4O3S1 non-polymer 0.00 0.00 NFT NFU C3Fe1H1N2Ni1O1 non-polymer 0.38 0.50 NFU NFV C3Fe1N2Ni1O2 non-polymer 0.00 0.22 NFV NFW C27H28N2O8 non-polymer 0.00 0.00 NFW NFX C17Cl1F1H17N3O3 non-polymer 0.00 0.00 NFX NFZ C6H6N4O4 non-polymer 0.28 0.43 NFZ NG1 C8H16N1O9P1 saccharide 1.00 0.79 NG1 NG2 C29F3H30N5O2 non-polymer 0.00 0.00 NG2 NG4 C29H40N2O9S1 non-polymer 0.00 0.00 NG4 NG6 C8H15N1O9S1 D-saccharide 1.00 0.79 NG6 NG7 C31F3H31N6O2S1 non-polymer 0.00 0.00 NG7 NGA C8H15N1O6 D-saccharide 1.00 1.00 NGA NGB C18H25N1O13 D-saccharide 1.00 0.72 NGB NGC C11H19N1O10 D-saccharide 1.00 1.00 NGC NGD C21H28N7O15P2 non-polymer 1.00 0.51 NGD NGE C11H19N1O10 D-saccharide 1.00 1.00 NGE NGF C11H19N1O10 D-saccharide 0.98 1.00 NGF NGH C13H20N2O5S1 non-polymer 0.00 0.00 NGH NGI C23H29N7O6 non-polymer 1.00 0.36 NGI NGJ C11H12N2O1 non-polymer 0.00 0.00 NGJ NGK C8H15N1O9S1 non-polymer 1.00 0.79 NGK NGL C8H15N1O9S1 saccharide 1.00 0.79 NGL NGM C39H49N1O16 non-polymer 1.00 0.59 NGM NGN N1 non-polymer 0.00 0.00 NGN NGO C8H14N1O5 non-polymer 1.00 0.86 NGO NGP C39H52N1O16 non-polymer 1.00 0.59 NGP NGQ C6H11N3O4 non-polymer 0.68 0.77 NGQ NGR C12H22O11 non-polymer 1.00 1.00 NGR NGS C8H15N1O9S1 D-saccharide 1.00 0.79 NGS NGT C8H13N1O4S1 non-polymer 1.00 0.79 NGT NGU C39H49N1O17 non-polymer 1.00 0.58 NGU NGV C21H14O7 non-polymer 0.97 0.14 NGV NGW C8H15N1O4S1 non-polymer 1.00 0.79 NGW NGY C8H15N1O9S1 D-saccharide 1.00 0.79 NGY NGZ C8H15N1O6 L-saccharide 1.00 1.00 NGZ NH H1N1 non-polymer 0.00 0.00 NH NH1 C29H37N1O4S1 non-polymer 1.00 0.49 NH1 NH2 H2N1 non-polymer 0.00 0.00 NH2 NH3 H3N1 non-polymer 0.00 0.00 NH3 NH4 H4N1 non-polymer 0.00 0.00 NH4 NH5 C29Cl2H38N4O4 non-polymer 0.00 0.00 NH5 NH6 C25Cl1H27N2O4S2 non-polymer 0.00 0.00 NH6 NH7 C30Cl1H27N4O4 non-polymer 0.00 0.00 NH7 NH8 C27H17N5O4 non-polymer 0.00 0.00 NH8 NHB C17H15N3O4S2 non-polymer 0.00 0.00 NHB NHC C10H14O5 non-polymer 1.00 1.00 NHC NHD C21H26N6O15P2 non-polymer 1.00 0.52 NHD NHE C8H17N1O3S1 non-polymer 0.00 0.00 NHE NHF C6H10O5 D-saccharide 1.00 1.00 NHF NHG C11H14N2O1 non-polymer 0.00 0.00 NHG NHH C8H16N8 non-polymer 0.00 0.00 NHH NHI C18H14N4O4 non-polymer 0.00 0.00 NHI NHJ C18F3H14N5O1 non-polymer 0.00 0.00 NHJ NHK C11H16N2O6S1 non-polymer 0.55 0.40 NHK NHL C16H17N1O4 D-peptide linking 0.53 0.57 NHL NHM C36H64N7O17P3S1 non-polymer 1.00 0.36 NHM NHN C42H56N6O9 non-polymer 0.35 0.37 NHN NHO C26H35N8O18P2 non-polymer 1.00 0.57 NHO NHP C10H16N1O3P1S1 non-polymer 0.00 0.00 NHP NHQ C33H62N11O17P3S1 non-polymer 1.00 0.35 NHQ NHR C23H22N4O8 non-polymer 0.68 0.34 NHR NHS C23H22N4O8 non-polymer 0.68 0.34 NHS NHT C9H16N2O4S1 non-polymer 1.00 0.88 NHT NHU C18H16N6O2 non-polymer 0.00 0.00 NHU NHV C15H20N3O4 non-polymer 1.00 0.55 NHV NHW C36H64N7O17P3S1 non-polymer 1.00 0.36 NHW NHX C24H32N4O5 non-polymer 0.00 0.00 NHX NHY C1H4N2O2 non-polymer 0.00 0.00 NHY NI Ni1 non-polymer 0.00 0.00 NI NI0 C22H32N4O4S1 non-polymer 0.58 0.13 NI0 NI1 H2Ni1O1 non-polymer 0.00 0.00 NI1 NI2 H4Ni1O2 non-polymer 0.00 0.00 NI2 NI3 H6Ni1O3 non-polymer 0.00 0.00 NI3 NI5 C21H28N4O4S1 non-polymer 0.58 0.13 NI5 NI7 C20H21N3O4 non-polymer 0.00 0.00 NI7 NI8 C22H25N3O4 non-polymer 0.00 0.00 NI8 NI9 C7F1H11N1O7P2 non-polymer 0.00 0.00 NI9 NIA C8H13N4O9P1 non-polymer 1.00 0.45 NIA NIC C5H7N1O7 non-polymer 0.88 0.85 NIC NID C9H5N1O3 non-polymer 0.00 0.00 NID NIE C2H5N1O2 non-polymer 0.00 0.00 NIE NIF C11H15N5O1S1 non-polymer 0.00 0.00 NIF NIG C6H10N2O4 non-polymer 0.68 0.83 NIG NIH C14F6H10N4O3 non-polymer 1.00 0.41 NIH NII C30H42N6O6 non-polymer 0.20 0.07 NII NIK H10Ni1O5 non-polymer 0.00 0.00 NIK NIL C28F3H22N7O1 non-polymer 0.00 0.00 NIL NIM C13H12N2O5S1 non-polymer 0.00 0.00 NIM NIN C6H4N2O4 non-polymer 0.00 0.00 NIN NIO C6H5N1O2 non-polymer 0.00 0.00 NIO NIP C14H16I1N2O6 non-polymer 0.00 0.00 NIP NIQ C13H22N4O2 non-polymer 1.00 0.53 NIQ NIR C11H18N2O4 non-polymer 1.00 0.53 NIR NIS C3H7N1O2 non-polymer 0.36 0.67 NIS NIT C6H6N2O2 non-polymer 0.00 0.00 NIT NIU C19H22O3 non-polymer 0.00 0.00 NIU NIV C15H14N4O1 non-polymer 0.00 0.00 NIV NIW C21H24N2O7 non-polymer 0.97 0.40 NIW NIX C12H12N2O3 non-polymer 0.00 0.00 NIX NIY C9H10N2O5 L-peptide linking 0.00 0.00 NIY NIZ C6H7N3O1 non-polymer 0.00 0.00 NIZ NJ1 C31H44N2O9S1 non-polymer 0.00 0.00 NJ1 NJ4 C29H40N2O8S1 non-polymer 0.00 0.00 NJ4 NJ7 C30H42N2O9S1 non-polymer 0.00 0.00 NJ7 NJ8 C16Cl1H14N1O2 non-polymer 0.00 0.00 NJ8 NJA C29H40N2O8S1 non-polymer 0.00 0.00 NJA NJD C21H20N8O1 non-polymer 1.00 0.30 NJD NJG C30H42N2O9S1 non-polymer 0.00 0.00 NJG NJJ C31H44N2O9S1 non-polymer 0.00 0.00 NJJ NJM C28H38N2O8S1 non-polymer 0.00 0.00 NJM NJP C21H29N7O18P3 non-polymer 1.00 0.47 NJP NJQ C27H28N2O3 non-polymer 0.00 0.00 NJQ NK C7H6O2 non-polymer 0.00 0.00 NK NK0 C25H23N5O2 non-polymer 0.00 0.00 NK0 NK1 C8H15O3S1 non-polymer 1.00 0.83 NK1 NK2 C8H15O2S1 non-polymer 0.00 0.00 NK2 NK4 C39H67N5O12 non-polymer 1.00 0.36 NK4 NK7 C27F6H26N4O3S1 non-polymer 0.00 0.00 NK7 NK8 C27F3H28N5O4S1 non-polymer 0.00 0.00 NK8 NK9 C26F3H27N4O5S1 non-polymer 0.00 0.00 NK9 NKD C38H48N8O13S1 non-polymer 1.00 0.55 NKD NKG C18H14N2O4 non-polymer 0.81 0.29 NKG NKH C18Cl1H15N2O3 non-polymer 0.00 0.00 NKH NKI C14Cl1H11N2O1 non-polymer 0.00 0.00 NKI NKK C29H44N8O4 non-polymer 0.41 0.49 NKK NKM C23H31N5O12 non-polymer 1.00 0.60 NKM NKN C17H35O7P1 non-polymer 1.00 0.40 NKN NKO C19H39O7P1 non-polymer 1.00 0.37 NKO NKP C21H41O7P1 non-polymer 1.00 0.55 NKP NKQ C21H37O7P1 non-polymer 1.00 0.76 NKQ NKR C25H39O7P1 non-polymer 1.00 0.88 NKR NKS C28Cl1H25N2O6 L-peptide linking 0.00 0.00 NKS NKX C14H20N4O12S3 non-polymer 0.98 0.33 NKX NKY C18F1H17N6O3 non-polymer 0.50 0.14 NKY NL4 C24Cl1H23N8O1 non-polymer 0.50 0.12 NL4 NL9 B1C9Cl1H8N2O2 non-polymer 0.00 0.00 NL9 NLA C12H10O2 non-polymer 0.00 0.00 NLA NLB C13H19N1O3 L-peptide linking 0.43 0.47 NLB NLC C14H25N1O11 non-polymer 1.00 1.00 NLC NLD C17H25N3O3 non-polymer 0.50 0.39 NLD NLE C6H13N1O2 L-peptide linking 0.00 0.00 NLE NLG C7H11N1O5 non-polymer 0.68 1.00 NLG NLH C13H27N1O4 non-polymer 0.00 0.00 NLH NLI C18F2H23N7O3 non-polymer 0.38 0.20 NLI NLK C13H25N1O3 non-polymer 0.00 0.00 NLK NLN C6H14N2O1 L-peptide linking 0.00 0.00 NLN NLO C7H15N1O2 L-peptide linking 0.56 0.70 NLO NLP C5H14N1O3P1 L-peptide linking 0.00 0.00 NLP NLQ C7H12N2O4 L-peptide linking 0.58 0.77 NLQ NLT C21H33N1O4 non-polymer 0.00 0.00 NLT NLW C6H14N2O1 L-peptide linking 0.00 0.00 NLW NLX C20H24N1O4 non-polymer 0.36 0.16 NLX NLY C6H14N2O2 peptide linking 0.00 0.00 NLY NM1 C34H37N3O7S1 non-polymer 0.50 0.09 NM1 NM2 C7H16N1O2 non-polymer 0.20 0.30 NM2 NM3 C8H18N1O2 non-polymer 0.29 0.36 NM3 NM4 C25Cl1H26N5O2 non-polymer 0.00 0.00 NM4 NM6 C11H20N2O7 D-saccharide 1.00 1.00 NM6 NM7 C12F1H10N3O2S1 non-polymer 0.00 0.00 NM7 NM8 C33F3H29N4O4S1 non-polymer 0.21 0.16 NM8 NM9 C12H22N2O7 D-saccharide 1.00 0.95 NM9 NMA C12H19N2O7P1 non-polymer 0.93 0.18 NMA NMB C32H34N2O6S1 non-polymer 0.00 0.00 NMB NMC C6H11N1O2 L-peptide linking 0.00 0.00 NMC NMD C30H30N6O6 non-polymer 1.00 0.24 NMD NME C1H5N1 non-polymer 0.00 0.00 NME NMF C10F1H15N2O3 non-polymer 1.00 0.69 NMF NMG C3H7N3O2 non-polymer 0.50 0.75 NMG NMH C8H17N1O1 non-polymer 0.50 0.70 NMH NMI C12H13N1O2 non-polymer 0.00 0.00 NMI NMK C7H17N2O2 non-polymer 0.59 0.73 NMK NML C3H7N1O1 non-polymer 0.57 1.00 NML NMM C7H16N4O2 L-peptide linking 0.43 0.77 NMM NMN C11H16N2O8P1 non-polymer 1.00 0.45 NMN NMO N1O1 non-polymer 0.00 0.00 NMO NMP C17H32N6O3S1 non-polymer 0.00 0.00 NMP NMQ Be1C9F3H13N2O9P2 non-polymer 0.50 0.19 NMQ NMS C13H20N3O10P1 DNA linking 1.00 0.85 NMS NMT C12H20N3O10P1 DNA linking 1.00 0.69 NMT NMU C2H6N2O1 non-polymer 0.00 0.00 NMU NMX C22H37N8O18P3 non-polymer 1.00 0.45 NMX NMY C23H46N6O13 non-polymer 1.00 1.00 NMY NMZ C27F1H52N7O14 non-polymer 1.00 0.84 NMZ NN1 C21Cl1F1H27N1O4S1 non-polymer 0.56 0.24 NN1 NN2 C21F1H18N3O4S1 non-polymer 0.00 0.00 NN2 NN3 C22H27N1O3S1 non-polymer 0.36 0.15 NN3 NN4 C22H30N2O4 non-polymer 0.56 0.25 NN4 NN7 C25F1H27N4O2S1 non-polymer 0.00 0.00 NN7 NNA C36H63N5O7S1 non-polymer 0.38 0.12 NNA NNB Br1C17H13N2O3S1 non-polymer 0.00 0.00 NNB NNC C17Cl1H13N2O3S1 non-polymer 0.00 0.00 NNC NND C15H31N1O4 non-polymer 1.00 0.55 NND NNE C30Cl4H32N2O6 non-polymer 0.45 0.36 NNE NNF C15F1H17N4O1 non-polymer 0.00 0.00 NNF NNG C7H17N1O10P2 non-polymer 1.00 0.60 NNG NNH C5H12N4O3 L-peptide linking 0.42 0.75 NNH NNI C17H13I1N2O3S1 non-polymer 0.00 0.00 NNI NNJ C7H11N2 non-polymer 0.00 0.00 NNJ NNK C7H11N2 non-polymer 0.00 0.00 NNK NNL C14Cl1H14N5 non-polymer 0.00 0.00 NNL NNM C40H69O4P1 non-polymer 0.38 0.07 NNM NNN C19H26N6O1 non-polymer 0.50 0.23 NNN NNO C6H5N1O4 non-polymer 0.00 0.00 NNO NNQ C18H25N1O1 non-polymer 0.00 0.00 NNQ NNR C11H15N2O5 non-polymer 1.00 0.56 NNR NNS C8H9N1O2 non-polymer 0.00 0.00 NNS NNT C7Cl1H10N2 non-polymer 0.00 0.00 NNT NNU C6Cl1H7N2 non-polymer 0.00 0.00 NNU NNV C14H14N2O4 non-polymer 0.00 0.00 NNV NNW C6H8N2 non-polymer 0.00 0.00 NNW NNX C7Cl1H10N2 non-polymer 0.00 0.00 NNX NNY C6Cl1H7N2 non-polymer 0.00 0.00 NNY NNZ C7H11N2 non-polymer 0.00 0.00 NNZ NO N1O1 non-polymer 0.00 0.00 NO NO1 C11H11N1O3 non-polymer 0.00 0.00 NO1 NO2 N1O2 non-polymer 0.00 0.00 NO2 NO3 N1O3 non-polymer 0.00 0.00 NO3 NO7 C13H17N5O10P2 non-polymer 1.00 0.33 NO7 NOA C12H10O3 non-polymer 0.00 0.00 NOA NOB B2H3Li1O5 non-polymer 0.00 0.00 NOB NOC C11H15N5O3 non-polymer 1.00 0.53 NOC NOD C29H33N1O12 non-polymer 1.00 0.43 NOD NOE C2H5N1O1 non-polymer 0.00 0.00 NOE NOG C21H28O2 non-polymer 0.00 0.00 NOG NOH C9H14N3O8P1 non-polymer 1.00 0.43 NOH NOJ C6H13N1O4 non-polymer 1.00 1.00 NOJ NOK C8H16N2O4 non-polymer 1.00 0.79 NOK NOL C32H50N4O7 non-polymer 0.56 0.70 NOL NOM C16H12O6 non-polymer 0.00 0.00 NOM NON C10H20O2 non-polymer 0.69 0.50 NON NOO C14H23N1O2 non-polymer 0.00 0.00 NOO NOP C8H10N1O7P1 non-polymer 1.00 0.71 NOP NOQ C17H26N2O4S1 non-polymer 0.00 0.00 NOQ NOR C13H25N1O3 peptide-like 0.67 0.53 NOR NOS C10H12N4O5 non-polymer 1.00 0.53 NOS NOT C6H12N4O2 L-peptide linking 0.00 0.00 NOT NOV C31H36N2O11 non-polymer 1.00 0.66 NOV NOW C21H29N5O2 non-polymer 0.38 0.07 NOW NOX C18H26N2O4 non-polymer 0.00 0.00 NOX NOY C6H13N1O4 non-polymer 1.00 1.00 NOY NOZ C6H13N1O4 non-polymer 1.00 1.00 NOZ NP C14H18N2O6 non-polymer 0.00 0.00 NP NP0 C3H9N1O1 non-polymer 0.00 0.00 NP0 NP1 C10H15N3O2 non-polymer 0.00 0.00 NP1 NP2 C9H13N3O2 non-polymer 0.00 0.00 NP2 NP3 C9H13N2O8P1 DNA linking 1.00 0.45 NP3 NP4 C16Cl1H17O5 non-polymer 0.00 0.00 NP4 NP5 C16Cl1H17O5 non-polymer 0.00 0.00 NP5 NP6 C17H23N3O7 non-polymer 1.00 0.63 NP6 NP7 C18Cl1H19N4O3 non-polymer 0.00 0.00 NP7 NP8 C20H23N5O2 non-polymer 0.00 0.00 NP8 NPA C8H7N1O5 non-polymer 0.00 0.00 NPA NPB B1C6H6N1O4 non-polymer 0.00 0.00 NPB NPC C14H17N2O6 non-polymer 0.00 0.00 NPC NPD C14H14O1 non-polymer 0.45 0.40 NPD NPE C11H13N1O7P1 non-polymer 0.00 0.00 NPE NPF C12H15N1O7 non-polymer 1.00 0.55 NPF NPG C12H13N1O5 non-polymer 0.50 0.83 NPG NPH C17H16N4O3S1 L-peptide linking 0.00 0.00 NPH NPI C7H13N1O4 L-peptide linking 0.00 0.00 NPI NPJ C18H25N1O13 non-polymer 1.00 0.72 NPJ NPK C20H23N3O9S1 non-polymer 0.00 0.00 NPK NPL C9H16N2O5P1 non-polymer 0.00 0.00 NPL NPM C25H20N4 non-polymer 0.00 0.00 NPM NPN C4H7N1 non-polymer 0.00 0.00 NPN NPO C6H5N1O3 non-polymer 0.00 0.00 NPO NPP C17H27N6O5 non-polymer 0.00 0.00 NPP NPQ C15H15N1O3 non-polymer 0.50 0.53 NPQ NPR C9H13N5O4 non-polymer 0.97 0.50 NPR NPS C14H14O3 non-polymer 0.46 0.47 NPS NPT C5H13N1 non-polymer 0.38 0.33 NPT NPU C9H13N1O1 non-polymer 0.00 0.00 NPU NPV C21H13N3O4 non-polymer 0.00 0.00 NPV NPW C21H32N7O18P3 non-polymer 1.00 0.47 NPW NPX C14H14O3 non-polymer 0.46 0.47 NPX NPY C10H8 non-polymer 0.00 0.00 NPY NPZ C16H13N5 non-polymer 0.00 0.00 NPZ NQ C10H6O3 non-polymer 0.00 0.00 NQ NQ4 C9H16N3O12P3 non-polymer 0.00 0.00 NQ4 NQ7 C13H13N3O2 non-polymer 0.00 0.00 NQ7 NQB C24H27N5O2 non-polymer 0.00 0.00 NQB NQG C28H39N9O7 non-polymer 0.84 0.25 NQG NQI C28H40N8O7 non-polymer 0.84 0.35 NQI NQJ C23Cl1F3H20N2O5S2 non-polymer 0.56 0.19 NQJ NQM C7H6O7 non-polymer 0.93 1.00 NQM NQS C12H10O3S1 non-polymer 0.00 0.00 NQS NR1 C5H13N1O5P1 DNA linking 0.00 0.00 NR1 NR2 C14H15N3O5S2 non-polymer 0.00 0.00 NR2 NR3 C12H24O12S2 non-polymer 1.00 0.85 NR3 NR4 C12H24O12S2 non-polymer 1.00 0.85 NR4 NR7 C29Cl1H30N5O4 non-polymer 0.00 0.00 NR7 NR9 C18H13N3O1S2 non-polymer 0.00 0.00 NR9 NRA C13H8O6 non-polymer 0.00 0.00 NRA NRB C28H47N1O7 non-polymer 1.00 0.28 NRB NRD C6H17N1O7P2 non-polymer 0.00 0.00 NRD NRF C12Cl1F3H9N3O1 non-polymer 0.00 0.00 NRF NRG C6H13N5O4 L-peptide linking 0.43 0.67 NRG NRH C11H8N2 non-polymer 0.00 0.00 NRH NRI C5H12N1O5P1 DNA linking 0.00 0.00 NRI NRJ C28Cl1H28N5O5 non-polymer 0.00 0.00 NRJ NRM C13H11N7S1 non-polymer 0.00 0.00 NRM NRN C10H13N5O3 non-polymer 1.00 0.50 NRN NRO C16H15N1O5 non-polymer 0.27 0.36 NRO NRP C17H19N3O4 L-peptide linking 0.00 0.00 NRP NRQ C16H17N3O4S1 L-peptide linking 0.00 0.00 NRQ NRS C19H15N3O4S1 non-polymer 0.00 0.00 NRS NRT C10H13N5O2 non-polymer 0.00 0.00 NRT NRU H18N6Ru1 non-polymer 0.00 0.00 NRU NRV C16F1H20N5S1 non-polymer 0.00 0.00 NRV NRW C12H13N3O2 non-polymer 0.50 0.24 NRW NRY C21F2H15N2O1 non-polymer 0.00 0.00 NRY NS0 C40H60 non-polymer 0.38 0.53 NS0 NS1 C40H60 non-polymer 0.38 0.53 NS1 NS3 C18H28N4O4S2 non-polymer 0.00 0.00 NS3 NS4 C13H18N2O5S1 non-polymer 0.00 0.00 NS4 NS5 C40H60 non-polymer 0.38 0.53 NS5 NS6 C18H27N3O4S2 non-polymer 0.00 0.00 NS6 NS7 C19H29N3O4S2 non-polymer 0.00 0.00 NS7 NS8 C8H7N1O2 non-polymer 0.20 0.27 NS8 NS9 C20H27N5O3 non-polymer 0.72 0.29 NS9 NSA C8Cl2H7N1O1 non-polymer 0.00 0.00 NSA NSB C6H16N1O3S1 non-polymer 0.20 0.27 NSB NSC C21H20N6O1 non-polymer 0.00 0.00 NSC NSD C6H17N3 non-polymer 0.00 0.00 NSD NSE C14H8N4O1 non-polymer 0.00 0.00 NSE NSG C8H15N1O4S1 non-polymer 1.00 0.79 NSG NSI C30F3H23N2O4S1 non-polymer 0.00 0.00 NSI NSJ C11H15N1O1S1 non-polymer 0.00 0.00 NSJ NSK C10H18N2O5 L-peptide linking 0.62 0.82 NSK NSL C12H10N2O1 non-polymer 0.00 0.00 NSL NSM C1H3N1O1 non-polymer 0.00 0.00 NSM NSN C7H11N3O4 non-polymer 0.41 1.00 NSN NSP C6H10N4 non-polymer 0.00 0.00 NSP NSQ C12H15N1O10S1 non-polymer 1.00 0.46 NSQ NSS C14H21N8O8S1 non-polymer 1.00 0.32 NSS NST C11H8N2O6S2 non-polymer 0.00 0.00 NST NSV C9H15N3S1 non-polymer 0.00 0.00 NSV NSX C57H64N8O6 non-polymer 0.00 0.00 NSX NSY C57H64N8O5 non-polymer 0.00 0.00 NSY NSZ C41H49N7O4S1 non-polymer 0.00 0.00 NSZ NT C18H26N10O3 non-polymer 0.33 0.19 NT NT1 C55H98O54S6 non-polymer 1.00 0.68 NT1 NT2 C6H12O18S4 non-polymer 1.00 0.43 NT2 NT4 C27H30N6O3 non-polymer 0.00 0.00 NT4 NT7 C14H20N2O2 non-polymer 0.00 0.00 NT7 NT8 C10H25N1O6P2 non-polymer 0.00 0.00 NT8 NTA C6H9N1O6 non-polymer 0.87 1.00 NTA NTB C4H11N1 non-polymer 0.39 1.00 NTB NTC C5H7N1O7 non-polymer 0.88 0.85 NTC NTD C14F3H10N1O5 non-polymer 0.00 0.00 NTD NTE C34Fe1H31N5O6 non-polymer 0.38 0.04 NTE NTF C8F3H12N1O6 D-saccharide 1.00 0.83 NTF NTG C11H13N3O1 non-polymer 0.00 0.00 NTG NTH C22H30O5 non-polymer 0.96 0.30 NTH NTI C12H9N3O5S1 non-polymer 0.00 0.00 NTI NTJ C4H12N1O2P1 non-polymer 0.43 0.75 NTJ NTM C7H5N1O4 non-polymer 0.00 0.00 NTM NTN C6H7N3 non-polymer 0.00 0.00 NTN NTO C31H53N3O49S8 saccharide 1.00 0.64 NTO NTP C36H60O55S9 saccharide 1.00 0.58 NTP NTR C8H9N1O4 L-peptide linking 0.00 0.00 NTR NTS C10H5O9S3 non-polymer 0.00 0.00 NTS NTT C12H18N3O9P1 DNA linking 1.00 0.80 NTT NTU C18H38N4S2 non-polymer 0.00 0.00 NTU NTV C12Cl1H14N1O2 non-polymer 0.00 0.00 NTV NTX C29H34N6O3 non-polymer 0.00 0.00 NTX NTY C8H9N1O3 L-peptide linking 0.00 0.00 NTY NTZ C6H10N4O4 non-polymer 1.00 0.86 NTZ NU1 C9H8N2O2 non-polymer 0.00 0.00 NU1 NU3 C14H11N3O2 non-polymer 0.00 0.00 NU3 NU4 C11H10N2O2 non-polymer 0.00 0.00 NU4 NU5 C23H32N6O4S1 non-polymer 0.00 0.00 NU5 NU6 C19H22N6O2 non-polymer 0.00 0.00 NU6 NU7 C26F3H24N5O2S1 non-polymer 0.00 0.00 NU7 NU9 C25F3H21N4O3S1 non-polymer 0.00 0.00 NU9 NUA C10H15N3O1 non-polymer 0.00 0.00 NUA NUD C18H17N5O3S1 non-polymer 0.00 0.00 NUD NUE C19H19N5O3S1 non-polymer 0.00 0.00 NUE NUF C34F2H38N4Ni1O4 non-polymer 0.00 0.00 NUF NUG C10H17N1O1S1 non-polymer 0.00 0.00 NUG NUJ C11H17N3O1 non-polymer 0.00 0.00 NUJ NUK C7H4O2S2 non-polymer 0.00 0.00 NUK NUM C14H14N2O2 non-polymer 0.00 0.00 NUM NUP C9H14N3O9P1 non-polymer 1.00 0.82 NUP NUT C30Cl2H30N4O4 non-polymer 0.58 0.10 NUT NUY C12H18N2O1S1 non-polymer 0.36 0.25 NUY NUZ C21Cl1H19N4O4 non-polymer 0.00 0.00 NUZ NV1 C13H20N2O1 non-polymer 0.36 0.25 NV1 NV4 C24H23N3O7S1 non-polymer 0.00 0.00 NV4 NV7 C10H16N2O3S1 non-polymer 0.00 0.00 NV7 NVA C5H11N1O2 L-peptide linking 0.00 0.00 NVA NVB C24H23N3O5S1 non-polymer 0.00 0.00 NVB NVC C19H25N3O4 non-polymer 0.00 0.00 NVC NVD C11H15N5 non-polymer 0.20 0.19 NVD NVE C27H33N4O5P1 non-polymer 0.62 0.19 NVE NVG C19H22N6O5 non-polymer 1.00 0.33 NVG NVI C5H7N2 non-polymer 0.00 0.00 NVI NVJ C10H13N1O2 non-polymer 0.00 0.00 NVJ NVM C11H14N2O1S1 non-polymer 0.00 0.00 NVM NVP C15H14N4O1 non-polymer 0.00 0.00 NVP NVS C15H13N1O4 non-polymer 0.00 0.00 NVS NVU C9H7N1O3 non-polymer 0.00 0.00 NVU NVV C19H16I1N3O2 non-polymer 0.00 0.00 NVV NVW C25H28N4O3S1 non-polymer 0.39 0.15 NVW NVX C19Cl1H16N3O2 non-polymer 0.00 0.00 NVX NVY C13F1H19N2 non-polymer 0.00 0.00 NVY NVZ C12H18N2O4S1 non-polymer 0.00 0.00 NVZ NW1 C11H17N5O2 non-polymer 1.00 0.56 NW1 NW4 C13H23N1O2 non-polymer 0.00 0.00 NW4 NW7 C11H13N3O3 non-polymer 0.00 0.00 NW7 NWA C8H20N1O2 non-polymer 0.20 0.27 NWA NWB C8H18N1O1 non-polymer 0.20 0.30 NWB NWD C7H8N4O6 L-peptide linking 1.00 0.53 NWD NWH C8H17N1O1 non-polymer 0.50 0.70 NWH NWJ C18H16N6O1 non-polymer 0.00 0.00 NWJ NWL C13H16N4O2 non-polymer 1.00 0.53 NWL NWM C32H51N1O8 non-polymer 0.75 0.49 NWM NWP C9H20N2O3S1 non-polymer 0.36 0.27 NWP NWV C10H11N3O2 non-polymer 0.00 0.00 NWV NWY C12H16N2O1 non-polymer 0.00 0.00 NWY NX1 Br1C12Cl1H8O2S2 non-polymer 0.00 0.00 NX1 NX2 C13Cl2H11N1O3S3 non-polymer 0.50 0.23 NX2 NX3 C18Cl2H14N2O3S3 non-polymer 0.00 0.00 NX3 NX4 C20Cl2H15N1O6S3 non-polymer 0.00 0.00 NX4 NX5 C14Cl2H10O2S1 non-polymer 0.00 0.00 NX5 NX6 C12H13N1O6 non-polymer 0.86 0.84 NX6 NX7 C11F2H11N1O1 non-polymer 0.00 0.00 NX7 NXA C4H7N1O4 non-polymer 0.64 0.67 NXA NXC C23Cl1H33N3O5P1Pt1 non-polymer 0.00 0.00 NXC NXD C14H23N3O10 D-saccharide 1.00 0.96 NXD NXG C19H27I1N2O2 non-polymer 0.62 0.12 NXG NXJ C12H16N2O1 non-polymer 0.00 0.00 NXJ NXL C7H13N3O6S1 non-polymer 0.00 0.00 NXL NXM C11H17N3O1 non-polymer 0.00 0.00 NXM NXN C10Cl2H11N1O2S1 non-polymer 0.00 0.00 NXN NXP C18H18N6O1 non-polymer 0.38 0.08 NXP NXS C10H15N3O1 non-polymer 0.00 0.00 NXS NXU C19H22N2O5S1 non-polymer 0.45 0.30 NXU NXV C18Cl2H14O3S1 non-polymer 0.58 0.17 NXV NXW C27Cl2H25N3O3S1 non-polymer 0.00 0.06 NXW NXX C21H27N6O15P2 non-polymer 1.00 0.52 NXX NXY C12Cl2H8O2S2 non-polymer 0.00 0.00 NXY NXZ C19H23N5O1 non-polymer 0.00 0.00 NXZ NY1 C10H14N2O2S1 non-polymer 0.00 0.00 NY1 NY2 Br1C9H5N6O3 non-polymer 0.00 0.00 NY2 NY4 C12H16N2O1 non-polymer 0.00 0.00 NY4 NY7 C10H14N2O2 non-polymer 0.00 0.00 NY7 NYA C34H50O3 non-polymer 0.41 0.30 NYA NYB C8H17N1O2S1 L-peptide linking 0.61 0.58 NYB NYC C17H18N4O4 L-peptide linking 0.00 0.00 NYC NYG C15H16N4O5 L-peptide linking 0.00 0.00 NYG NYH C6H9N1O2 non-polymer 0.00 0.00 NYH NYJ C17H15N1O1 non-polymer 0.00 0.00 NYJ NYK C10H8N2O1 non-polymer 0.00 0.00 NYK NYL C9H11N1 non-polymer 0.36 0.40 NYL NYM C10H16N3O7P1 DNA linking 1.00 0.81 NYM NYP C11H18N1 non-polymer 0.40 0.42 NYP NYS C11H16N2O5S1 L-peptide linking 0.00 0.00 NYS NYT C24H42O21 D-saccharide 1.00 1.00 NYT NYV C6H11N3O2S1 non-polymer 0.36 0.33 NYV NZ1 C8H8N2O1S1 non-polymer 0.00 0.00 NZ1 NZ2 C10H13N1O4S1 non-polymer 0.67 0.50 NZ2 NZ3 C10H13N1O4S1 non-polymer 0.67 0.50 NZ3 NZ4 C13H16N2O3 non-polymer 0.62 0.17 NZ4 NZ7 C10H18N2O3 non-polymer 0.20 0.20 NZ7 NZ9 C8H9N1O4S2 non-polymer 0.00 0.00 NZ9 NZA C22Cl2H15N1O2S1 non-polymer 0.00 0.00 NZA NZC C5H11N1O3 L-peptide linking 0.73 1.00 NZC NZD C12H17N3O1 non-polymer 0.00 0.00 NZD NZF C27F3H30N5O5 non-polymer 0.00 0.00 NZF NZG C9F1H8N1O3 non-polymer 0.00 0.00 NZG NZH C7H9N7O1 L-peptide linking 0.00 0.00 NZH NZI C12H17N2O13P3 non-polymer 1.00 0.30 NZI NZJ C14H18N2O2 non-polymer 0.00 0.00 NZJ NZL C24H28N2O5 non-polymer 0.00 0.00 NZL NZM C16H17N5O7S2 non-polymer 0.81 0.57 NZM NZN C16H26N4O3 non-polymer 0.00 0.00 NZN NZO C14H11N3O3S1 non-polymer 0.00 0.00 NZO NZQ C21H32N7O19P3 non-polymer 1.00 0.66 NZQ NZS C17H20N6O3S1 non-polymer 0.00 0.00 NZS NZT C24H22N6O3S1 non-polymer 0.00 0.00 NZT NZU C17H19N7O2S1 non-polymer 0.00 0.00 NZU NZV C18H20N8O8S3 non-polymer 1.00 0.65 NZV O O1 non-polymer 0.00 0.00 O O01 C9H12N4S1 non-polymer 0.00 0.00 O01 O04 C13H17N3O2 non-polymer 0.00 0.00 O04 O09 C10H11N3O3 non-polymer 0.83 0.44 O09 O0A C28H26N4O2 non-polymer 0.00 0.00 O0A O0D C14Cl2H11N1O4 non-polymer 0.98 0.29 O0D O0G C8Cl1F1H10N2O1 non-polymer 0.50 0.38 O0G O0J C11H11N3O1S1 non-polymer 0.00 0.00 O0J O0M C15H23N1O1 non-polymer 0.00 0.00 O0M O0P C8F1H11N2O2S1 non-polymer 0.00 0.00 O0P O0S C12H11N3O2 non-polymer 0.00 0.00 O0S O0V C9F1H13N2O1 non-polymer 0.50 0.38 O0V O0Y C10H15N1O1 non-polymer 0.00 0.00 O0Y O11 C26H38O5 non-polymer 0.98 0.45 O11 O12 C17H34N2O3 L-peptide linking 0.00 0.00 O12 O13 C14H20N4O1 non-polymer 0.00 0.00 O13 O14 C14H20N4O1 non-polymer 0.00 0.00 O14 O15 C12H15N3O3 non-polymer 0.81 0.39 O15 O16 C24H16N7O2S1 non-polymer 0.20 0.15 O16 O17 C30H35N7O3 non-polymer 1.00 0.53 O17 O19 C25H28N6O2 non-polymer 0.00 0.00 O19 O1A C13H19N3O1 non-polymer 0.00 0.00 O1A O1C C30H50O4 non-polymer 0.55 0.18 O1C O1D C13H13N1O1 non-polymer 0.00 0.00 O1D O1G C14H22N2O13P2 non-polymer 1.00 0.39 O1G O1J C9H10O3 non-polymer 0.54 0.75 O1J O1M C11F1H14N3O1 non-polymer 0.00 0.00 O1M O1Y C22Cl2H24N8O5 non-polymer 0.38 0.14 O1Y O1Z C20H21N3O1S1 non-polymer 1.00 0.40 O1Z O2 O2 non-polymer 0.00 0.00 O2 O21 C30Cl2H36N8O4 non-polymer 0.38 0.11 O21 O22 C15H15N5O2 non-polymer 1.00 0.50 O22 O23 C21H19N5O1S1 non-polymer 0.00 0.00 O23 O25 C18F3H22N5O2S1 non-polymer 0.00 0.00 O25 O26 C20H29N5O2S1 non-polymer 0.38 0.07 O26 O27 C23F3H28N5O2S1 peptide-like 0.00 0.00 O27 O28 C19F3H21N4O2S1 non-polymer 0.00 0.00 O28 O29 C23F3H30N5O2S1 non-polymer 0.45 0.21 O29 O2A C10H10N2O1 non-polymer 0.50 0.31 O2A O2C C9H14N3O7P1 RNA linking 1.00 0.45 O2C O2D C10H16N4O1 non-polymer 0.00 0.00 O2D O2G C12H18N5O7P1 RNA linking 1.00 0.36 O2G O2J C11H16N2O2 non-polymer 0.62 0.20 O2J O2M C9H10N4O1S1 non-polymer 0.00 0.00 O2M O2N C35H34N2O7 non-polymer 0.36 0.09 O2N O2P C15H15N1O2 non-polymer 0.00 0.00 O2P O2S C8H16O2S1 non-polymer 0.00 0.00 O2S O2T C14H20N4O11P2S1 non-polymer 0.00 0.00 O2T O2V C8H16O2S1 non-polymer 0.00 0.00 O2V O2W C20H23N3O6 non-polymer 0.98 0.21 O2W O2Y C8H7N1O4S1 non-polymer 0.00 0.00 O2Y O30 C22F3H28N5O2S1 non-polymer 0.00 0.00 O30 O33 C40H45N5O7S2 peptide-like 0.43 0.33 O33 O37 C29F1H31N4O2 non-polymer 0.00 0.00 O37 O38 C24H25N7O1 non-polymer 0.00 0.00 O38 O3A C12H16N2O1 non-polymer 0.00 0.00 O3A O3D C9H13N1O3S1 non-polymer 0.00 0.00 O3D O3G C14F1H14N1 non-polymer 0.00 0.00 O3G O3J C15H22N2O1 non-polymer 0.00 0.00 O3J O3M C16H17N1O1 non-polymer 0.00 0.00 O3M O3N C31H38N2O7 non-polymer 0.36 0.10 O3N O3P C17H22N4O1 non-polymer 0.38 0.23 O3P O3S C17H24N4O1 non-polymer 0.00 0.00 O3S O3V C22H19N3O2S1 non-polymer 0.00 0.00 O3V O3Y C24Cl1H20N3O2 non-polymer 0.00 0.00 O3Y O40 C23F3H24N3O5 non-polymer 0.50 0.18 O40 O43 C28H36N6O2 non-polymer 0.00 0.00 O43 O44 C25F1H27N8O3S1 non-polymer 1.00 0.29 O44 O47 C18F3H19N4O1 non-polymer 0.50 0.15 O47 O48 C10H23N1O3S1 non-polymer 0.00 0.00 O48 O4A C21H19N3O4 non-polymer 0.00 0.00 O4A O4B C12H24O6 non-polymer 0.00 0.00 O4B O4D C21H28N6O2 non-polymer 0.00 0.00 O4D O4G C20H16N2O5 non-polymer 0.00 0.00 O4G O4M H8Mn1O4 non-polymer 0.00 0.00 O4M O4N C31H34N2O6 non-polymer 0.36 0.10 O4N O4P C23H22N2O3S1 non-polymer 0.64 0.21 O4P O4S C28H34N4O3 non-polymer 0.00 0.00 O4S O4V C17H18N4O3S1 non-polymer 0.00 0.00 O4V O4Y C11H10N2O3 non-polymer 0.64 0.38 O4Y O53 C16H17N3O1 non-polymer 0.00 0.00 O53 O54 C19H20N4O1 non-polymer 0.00 0.00 O54 O58 C27Cl1H25N6O4 non-polymer 0.00 0.00 O58 O59 C8H20N2O6S2 non-polymer 0.00 0.00 O59 O5A C27F8H25N1O5S1 non-polymer 0.00 0.05 O5A O5E C15H14N6O1 non-polymer 0.00 0.00 O5E O5S C31Cl1H35N4O4 non-polymer 0.00 0.00 O5S O5U C28H34N2O7 non-polymer 0.00 0.00 O5U O5V Br1C25H26N3O4 non-polymer 0.00 0.00 O5V O5Y Br1C27H29N4O4 non-polymer 0.00 0.00 O5Y O60 C10H24N2O6S2 non-polymer 0.00 0.00 O60 O61 C27Cl1H24N7O3S1 peptide-like 0.00 0.00 O61 O62 C30Cl2H23N1O4 non-polymer 0.00 0.00 O62 O64 C12Cl1F3H11N1O2 non-polymer 0.50 0.42 O64 O67 Br1C19H21N4O5 non-polymer 0.00 0.00 O67 O6D C28H27N3O4 non-polymer 0.42 0.40 O6D O6M C17H12N4O2S1 non-polymer 0.00 0.00 O6M O6P C15H24N4O6S2 non-polymer 0.00 0.00 O6P O73 C21H24N4O5 non-polymer 0.00 0.00 O73 O74 C20Cl1H14N3O1 non-polymer 0.00 0.00 O74 O75 C27F3H28N5O1 non-polymer 0.45 0.19 O75 O7E C12H17N2O11P1 non-polymer 1.00 0.85 O7E O7M C11H15N2O11P1 non-polymer 1.00 0.80 O7M O7U C3H6N3O2P1 non-polymer 0.00 0.00 O7U O80 C17F3H17N2 non-polymer 0.20 0.14 O80 O82 C16F1H17N2 non-polymer 0.00 0.00 O82 O83 C16F2H16N2 non-polymer 0.00 0.00 O83 O84 C19H22N2O11P2 non-polymer 0.33 0.09 O84 O8A C17F3H14N3O2S1 non-polymer 0.00 0.00 O8A O8B C22H20N4O2 non-polymer 0.00 0.00 O8B O8G C13H14N6O2S1 non-polymer 0.00 0.00 O8G O8H C22H22I1N7O4S2 non-polymer 0.00 0.00 O8H O8K C17H28O3 non-polymer 0.00 0.00 O8K O8M C14H21N7O4 non-polymer 1.00 0.40 O8M O8N C28H58O1 non-polymer 0.00 0.00 O8N O90 C22Cl1F3H21N1O4S1 non-polymer 0.00 0.00 O90 O92 C18Cl1F2H14N5O3S1 non-polymer 0.50 0.13 O92 O95 C17F3H17N4O3S1 non-polymer 0.00 0.00 O95 O96 C19Cl1F3H17N3O4 non-polymer 0.45 0.37 O96 O97 C17H14N2O2S2 non-polymer 0.00 0.00 O97 OA1 Br1C10H7N2O2 non-polymer 0.00 0.00 OA1 OA2 C18H17N3O2 non-polymer 0.00 0.00 OA2 OA3 C10H13N3O1 non-polymer 0.00 0.00 OA3 OA4 C15H14N4 non-polymer 0.00 0.00 OA4 OA5 C11H13N5O2 non-polymer 1.00 0.50 OA5 OAA C4H3O5 non-polymer 0.93 1.00 OAA OAC C10H12O3 non-polymer 0.55 0.54 OAC OAD C17H25N5O15P2 RNA linking 1.00 0.59 OAD OAE C16H21N3O5S1 non-polymer 0.00 0.00 OAE OAF C4F2H4O6 non-polymer 0.93 0.83 OAF OAG C14Cl2H12N6 non-polymer 0.00 0.00 OAG OAH C10H14N5O6P1 non-polymer 1.00 0.41 OAH OAI C11H8N2O5 non-polymer 0.00 0.00 OAI OAK C13H17N1O6 non-polymer 1.00 0.95 OAK OAL C16H10O6 non-polymer 0.00 0.00 OAL OAM C13H18N8 non-polymer 0.00 0.00 OAM OAN C15H19N3O7 non-polymer 1.00 0.60 OAN OAP C31H37N1O3S1 non-polymer 0.00 0.00 OAP OAQ C14H21N3O3 non-polymer 0.36 0.20 OAQ OAR C6H16N4O1 peptide-like 0.43 0.82 OAR OAS C5H9N1O4 L-peptide linking 0.83 1.00 OAS OAW C13H15N7O1 non-polymer 0.36 0.19 OAW OAZ C8H7N3O3 non-polymer 0.00 0.00 OAZ OB1 C24H21N1O5S1 non-polymer 0.00 0.00 OB1 OB2 C25H23N1O5S1 non-polymer 0.00 0.00 OB2 OB3 C25Cl1H22N1O5S1 non-polymer 0.00 0.00 OB3 OB4 C27H27N1O6S1 non-polymer 0.00 0.00 OB4 OB5 C27H27N1O6S1 non-polymer 0.00 0.00 OB5 OB6 C26Cl1H24N1O5S1 non-polymer 0.00 0.00 OB6 OB7 C26Cl1H24N1O5S1 non-polymer 0.00 0.00 OB7 OB8 C30H27N1O5S1 non-polymer 0.00 0.00 OB8 OB9 C26F3H22N1O5S1 non-polymer 0.00 0.00 OB9 OBA C9H7N1O5 non-polymer 0.00 0.00 OBA OBB Br1C24H19O6S1 non-polymer 0.00 0.00 OBB OBC C24F1H19O6S1 non-polymer 0.00 0.00 OBC OBD C25H23N5O3 non-polymer 0.00 0.00 OBD OBE C16H19N1O5 non-polymer 0.00 0.00 OBE OBF C4F2H7N1O2 L-peptide linking 0.00 0.00 OBF OBG C12H11N5O1 non-polymer 0.00 0.00 OBG OBH C24H22O6S1 non-polymer 0.00 0.00 OBH OBI C14H16N4O3 non-polymer 0.00 0.00 OBI OBL C60Co1H85N13O15P1 non-polymer 1.00 0.11 OBL OBM Br1C24H19O6S1 non-polymer 0.00 0.00 OBM OBN C29H44O12 non-polymer 1.00 0.78 OBN OBP C12H10O3S1 non-polymer 0.00 0.00 OBP OBS C16H26N2O7S1 L-peptide linking 0.00 0.00 OBS OBT C26Cl1F3H21N1O5S1 non-polymer 0.00 0.00 OBT OBV C40Fe1H44N4O12 non-polymer 0.00 0.00 OBV OBY C18H16N2O2S2 non-polymer 0.00 0.00 OBY OBZ C7H9N1O1 non-polymer 0.00 0.00 OBZ OC1 Ca1H2O1 non-polymer 0.00 0.00 OC1 OC2 Ca1H4O2 non-polymer 0.00 0.00 OC2 OC3 Ca1H6O3 non-polymer 0.00 0.00 OC3 OC4 Ca1H8O4 non-polymer 0.00 0.00 OC4 OC5 Ca1H10O5 non-polymer 0.00 0.00 OC5 OC6 Ca1H12O6 non-polymer 0.00 0.00 OC6 OC7 Ca1H14O7 non-polymer 0.00 0.00 OC7 OC8 Ca1H16O8 non-polymer 0.00 0.00 OC8 OC9 C8H18O1 non-polymer 0.00 0.00 OC9 OCA C8H16O2 non-polymer 0.00 0.00 OCA OCB C15H30N1O4 non-polymer 0.68 0.75 OCB OCC C30H50O5 non-polymer 0.75 0.31 OCC OCD C18H36O1 non-polymer 0.00 0.00 OCD OCE C8H14O4 non-polymer 0.00 0.00 OCE OCG C21H18N6O3 non-polymer 0.00 0.00 OCG OCH C9H7N1O1 non-polymer 0.00 0.00 OCH OCJ C21H17N3O2S2 non-polymer 0.00 0.00 OCJ OCL Co1H2O1 non-polymer 0.00 0.00 OCL OCM Co1H6O3 non-polymer 0.00 0.00 OCM OCN Co1H4O2 non-polymer 0.00 0.00 OCN OCO Co1H12O6 non-polymer 0.00 0.00 OCO OCP C29H59N2O7P1 non-polymer 0.98 0.15 OCP OCQ C8H14N2O3 non-polymer 0.56 0.54 OCQ OCR C20H30O3 non-polymer 0.38 0.70 OCR OCS C3H7N1O5S1 L-peptide linking 0.00 0.00 OCS OCT C8H18 non-polymer 0.00 0.00 OCT OCV C14H24N2O7S1 non-polymer 0.75 0.54 OCV OCX C20H30O3 non-polymer 0.42 0.65 OCX OCY C5H11N1O3S1 L-peptide linking 0.00 0.00 OCY OCZ C13Cl1H13N2O1 non-polymer 0.00 0.00 OCZ OD1 C17H17N3O2S2 non-polymer 0.00 0.00 OD1 OD4 C17H16N2O3S2 non-polymer 0.00 0.00 OD4 ODA C10H15N3O4 peptide-like 0.00 0.00 ODA ODD C18H32O2 non-polymer 0.38 0.40 ODD ODE C24H24O7 non-polymer 0.50 0.45 ODE ODH C14H11N3O2 non-polymer 0.00 0.00 ODH ODI C8H18O2 non-polymer 0.00 0.00 ODI ODK C9H7N3O2 non-polymer 0.00 0.00 ODK ODN C20H30O6 non-polymer 1.00 0.96 ODN ODO C8H9N1O3 non-polymer 0.38 0.17 ODO ODP C21H29N7O18P3 RNA linking 1.00 0.47 ODP ODR C15H19N1O3 non-polymer 0.00 0.00 ODR ODS C6H12N2O2 peptide-like 0.00 0.00 ODS ODT C18H30O2 non-polymer 0.44 0.50 ODT ODV C2H8N1O4P1 non-polymer 0.00 0.00 ODV ODY C28F1H28N1O4 non-polymer 0.00 0.00 ODY OE1 C19H23N3O2S1 non-polymer 0.00 0.00 OE1 OE2 Br1C11H14N3O5S1 non-polymer 0.20 0.19 OE2 OEC CA1MN4O4 non-polymer 0.00 0.00 OEC OEF Br2C18H18O4 non-polymer 0.00 0.00 OEF OEG C4H6O5 non-polymer 0.88 1.00 OEG OEL C13F1H20N4O7 non-polymer 1.00 0.88 OEL OEM C5H9N1O4 D-peptide linking 0.86 0.90 OEM OER Mn4O5Sr1 non-polymer 0.00 0.00 OER OES C10H22O2S1 non-polymer 0.00 0.00 OES OET C2H5 non-polymer 0.00 0.00 OET OEU C31Cl1H36N3O4 peptide-like 0.00 0.00 OEU OEV C15H29N1O4 non-polymer 0.00 0.00 OEV OEX CA1MN4O5 non-polymer 0.00 0.00 OEX OEY Ca1Mn4O6 non-polymer 0.00 0.00 OEY OF1 Fe1H2O1 non-polymer 0.00 0.00 OF1 OF2 Fe2O1 non-polymer 0.00 0.00 OF2 OF3 Fe1H2O1 non-polymer 0.00 0.00 OF3 OFB C24F1H19O6S1 non-polymer 0.00 0.00 OFB OFE FE1O1 non-polymer 0.00 0.00 OFE OFF C23H20O10 non-polymer 0.97 0.70 OFF OFG C19F1H18N7O1 non-polymer 0.00 0.00 OFG OFH C23Cl1F6H24N3O5S1 non-polymer 0.50 0.10 OFH OFI C17H17N3O2 non-polymer 0.00 0.00 OFI OFL C14F3H10N1O2 non-polymer 0.00 0.00 OFL OFM C24H24N4O6 L-peptide linking 0.00 0.00 OFM OFO Fe2H1O2 non-polymer 0.00 0.00 OFO OFT C20H20N4O4S1 non-polymer 0.00 0.00 OFT OGA C4H5N1O5 non-polymer 0.81 1.00 OGA OGG C6H12N2O4 non-polymer 0.67 1.00 OGG OGJ C28F1H28N1O4 non-polymer 0.00 0.00 OGJ OGK C18H27N1O4 non-polymer 0.00 0.00 OGK OGN C15H19N3O7 non-polymer 1.00 0.60 OGN OGX C12H19N6O7P1S1 DNA linking 1.00 0.33 OGX OH H1O1 non-polymer 0.00 0.00 OH OHA C16H30O3 non-polymer 0.00 0.00 OHA OHB C7H7N1O2 non-polymer 0.00 0.00 OHB OHD C14Cl1H14N3O4 L-peptide linking 0.00 0.00 OHD OHE C2H6O1 non-polymer 0.00 0.00 OHE OHH C40H35N2O6P1 non-polymer 0.50 0.08 OHH OHI C6H7N3O3 L-peptide linking 0.00 0.00 OHI OHL C15H17N3O5S1 non-polymer 0.00 0.00 OHL OHM C16H28N2O3 non-polymer 0.00 0.00 OHM OHN C16H27N1O4 non-polymer 0.00 0.00 OHN OHO C7H13N1O2 non-polymer 0.00 0.00 OHO OHP C8H8O3 non-polymer 0.00 0.00 OHP OHS C5H7N1O6S1 L-peptide linking 0.84 0.69 OHS OHT C26H29N1O2 non-polymer 0.50 0.17 OHT OHU C9H13N2O9P1 DNA linking 1.00 0.81 OHU OHX H12N6Os1 non-polymer 0.00 0.00 OHX OI1 C32H35N3O5 non-polymer 0.00 0.00 OI1 OI7 C7H16O13P2 non-polymer 1.00 0.64 OI7 OIA C10H9N1O3 non-polymer 0.00 0.00 OIA OIC C9H15N1O2 L-peptide linking 0.00 0.00 OIC OID C13H22N2O2 non-polymer 0.00 0.00 OID OIL C6H12O3 non-polymer 0.75 1.00 OIL OIM C21H26N4O6 L-peptide linking 0.00 0.00 OIM OIN C17H23N1O3 non-polymer 0.50 0.43 OIN OIO C11H18N2O2 non-polymer 0.00 0.00 OIO OIP C10H13N4O7P1 DNA linking 1.00 0.41 OIP OIR C21H24N2O4S1 non-polymer 0.64 0.21 OIR OIS C34H46N6O6S2 non-polymer 0.00 0.00 OIS OJ4 C18H24N2O8S2Te1 non-polymer 0.83 0.35 OJ4 OJ8 C25H22N2O3 non-polymer 0.00 0.00 OJ8 OJA C28F1H38N5 non-polymer 0.36 0.12 OJA OJD C12H15N1O1 non-polymer 0.00 0.00 OJD OK1 C15Cl1H16N1O5 non-polymer 0.00 0.00 OK1 OK3 B1C17H18N2O6 non-polymer 0.00 0.00 OK3 OKA C44H68O13 non-polymer 1.00 0.56 OKA OKD C24H41N5O12 non-polymer 0.88 0.90 OKD OKG C4H5O5 non-polymer 0.96 0.89 OKG OKH C28Cl1H32N3O3 non-polymer 0.00 0.00 OKH OKI C27Cl1H32N3O1 non-polymer 0.00 0.00 OKI OKJ C10H13N1O3 non-polymer 0.56 0.50 OKJ OKO C24H28N6O5S1 non-polymer 0.00 0.00 OKO OKP B1C8H21N2O2 non-polymer 0.00 0.00 OKP OKS C8H18N2O2 non-polymer 0.00 0.00 OKS OL1 C21H24N2O3 non-polymer 0.00 0.00 OL1 OL2 C22H23N3O6 non-polymer 0.00 0.00 OL2 OL3 C35Co4H45N7O13S1 non-polymer 0.00 0.00 OL3 OL4 C28Co4H36N6O12S1 non-polymer 0.00 0.00 OL4 OL5 C30Co4H40N6O13S1 non-polymer 0.00 0.00 OL5 OLA C18H34O2 non-polymer 0.42 0.30 OLA OLB C21H40O4 non-polymer 0.98 0.64 OLB OLC C21H40O4 non-polymer 0.98 0.64 OLC OLD Br1C14H14N3O3 L-peptide linking 0.00 0.00 OLD OLE C6H12O3 L-peptide linking 0.00 0.00 OLE OLF C29Cl1F2H26N3O3 non-polymer 0.00 0.00 OLF OLI C18H34O2 non-polymer 0.42 0.30 OLI OLM C24H26N6O3 non-polymer 0.41 0.21 OLM OLN C8H15N3O4 non-polymer 0.58 0.67 OLN OLO C15H18N6O1 non-polymer 0.00 0.00 OLO OLP C16Cl1H19N6O1 non-polymer 0.36 0.17 OLP OLS C33Co4H41N7O12S1 non-polymer 0.00 0.00 OLS OLT C5H11N1O3 L-peptide linking 0.68 1.00 OLT OLU C10H6N2O2S2 non-polymer 0.00 0.00 OLU OLW C17H16N6 non-polymer 0.00 0.00 OLW OLZ C5H12N2O3 L-peptide linking 0.83 1.00 OLZ OM1 C25H25N2O6 non-polymer 0.00 0.00 OM1 OM2 C22H27N2O5 non-polymer 0.50 0.24 OM2 OM3 C25H31N2O5 non-polymer 0.00 0.00 OM3 OMA C19H34O2 non-polymer 0.38 0.29 OMA OMB C1H2O1 non-polymer 0.00 0.00 OMB OMC C10H16N3O8P1 RNA linking 1.00 0.45 OMC OMD C8H8O4 non-polymer 0.00 0.00 OMD OME C1H3O1 non-polymer 0.00 0.00 OME OMG C11H16N5O8P1 RNA linking 1.00 0.40 OMG OMH C4H10N1O6P1 L-peptide linking 0.88 0.83 OMH OMI C9H9N1O1 non-polymer 0.00 0.00 OMI OMK C28Cl1F2H26N3O1 non-polymer 0.00 0.00 OMK OMM C28Cl1F3H23N3O3 non-polymer 0.00 0.00 OMM OMN Br1C12Cl1F4H6N2O2 non-polymer 0.00 0.00 OMN OMO H3O3 non-polymer 0.00 0.00 OMO OMP C10H13N2O11P1 non-polymer 1.00 0.83 OMP OMR C29H49N5O15P2 non-polymer 1.00 0.45 OMR OMT C5H11N1O4S1 L-peptide linking 0.00 0.00 OMT OMU C10H15N2O9P1 RNA linking 1.00 0.45 OMU OMX C9H11N1O4 L-peptide linking 0.00 0.00 OMX OMY C9Cl1H10N1O4 L-peptide linking 0.00 0.00 OMY OMZ C9Cl1H10N1O4 D-peptide linking 0.00 0.00 OMZ ON0 C30H49N5O14 non-polymer 1.00 0.86 ON0 ON1 C12Cl2H8N2O4 non-polymer 1.00 0.65 ON1 ON3 C31H34O7 non-polymer 0.97 0.24 ON3 ON5 C20Cl1H33O4 non-polymer 0.46 0.52 ON5 ON7 C30H35N1O7 non-polymer 0.97 0.11 ON7 ON9 C32H37N1O8 non-polymer 0.97 0.17 ON9 ONA C18H23N6O14P3 non-polymer 1.00 0.24 ONA ONB C14H11N1 non-polymer 0.00 0.00 ONB ONC C24H24N4O1 non-polymer 0.00 0.00 ONC OND C21H17N3O2S2 non-polymer 0.00 0.00 OND ONE C10H14N1O8P1 RNA linking 1.00 0.50 ONE ONH C5H12N2O3 L-peptide linking 0.00 0.00 ONH ONK C27H50N4O5 peptide-like 0.46 0.22 ONK ONL C6H11N1O3 L-peptide linking 0.00 0.00 ONL ONM C18H23N6O15P3 non-polymer 1.00 0.24 ONM ONO C28H31N5O6 non-polymer 0.50 0.26 ONO ONP Be1C8F3H11N2O9P2 non-polymer 0.00 0.00 ONP ONR C9Cl1H6N1O2 non-polymer 0.00 0.00 ONR ONS C26Cl2H21N3O4 non-polymer 0.00 0.00 ONS ONV C22Cl1H20N3O7 non-polymer 0.38 0.27 ONV ONX C40H79N1O2 non-polymer 0.50 0.21 ONX ONZ C10H9N1O5 non-polymer 0.81 0.44 ONZ OOA C8H14O3 non-polymer 0.00 0.00 OOA OOB C17H18N5O8P1 RNA OH 5 prime terminus 1.00 0.45 OOB OOC C20H38O10S1 non-polymer 1.00 0.71 OOC OOD C23H23N7O3 non-polymer 0.80 0.33 OOD OOF C28Cl1F2H24N3O3 non-polymer 0.00 0.00 OOF OOG C6H8O5 non-polymer 0.69 0.64 OOG OOK C28Cl1F4H22N3O3 non-polymer 0.00 0.00 OOK OOM C22H23N7O2S1 non-polymer 0.38 0.06 OOM OOO C32H39N5O3 non-polymer 0.55 0.20 OOO OOP C23H35N4O17P3 non-polymer 1.00 0.30 OOP OOQ C30H35N5O3 non-polymer 0.00 0.00 OOQ OOS C30H36N6O2 non-polymer 0.00 0.00 OOS OOU C31H38N6O2 non-polymer 0.00 0.00 OOU OOV C32H40N6O2 non-polymer 0.20 0.07 OOV OP0 C9H18N4O7S1 non-polymer 0.42 0.48 OP0 OP1 C11H18N4O5 non-polymer 0.43 0.50 OP1 OP2 C12H24O8 non-polymer 0.99 1.00 OP2 OPA C10H9N1O6S1 non-polymer 0.00 0.00 OPA OPB C19H20N2O3 non-polymer 0.00 0.00 OPB OPC C45H87N1O8P1 non-polymer 0.81 0.64 OPC OPD C18H28O3 non-polymer 0.42 0.29 OPD OPE C2H8N1O4P1 non-polymer 0.00 0.00 OPE OPG C7H12O5 non-polymer 1.00 1.00 OPG OPH C10H12O3 non-polymer 0.81 0.54 OPH OPI C16H30N2O6 non-polymer 0.90 1.00 OPI OPL C5H10O4 non-polymer 0.90 1.00 OPL OPM C11H22O6 saccharide 1.00 0.71 OPM OPN C14H17N4O4 non-polymer 0.00 0.00 OPN OPO C6H5N1O3 non-polymer 0.00 0.00 OPO OPP C10H8N2O5 non-polymer 0.00 0.00 OPP OPQ C30H45N3O4 non-polymer 0.00 0.00 OPQ OPR C9H18N4O3 peptide-like 0.00 0.00 OPR OPS C6H9O2S2 non-polymer 0.00 0.00 OPS OPT C47H55N7O5S1 non-polymer 0.00 0.00 OPT OPV C16H18N4O5 non-polymer 0.00 0.00 OPV OPX C12H23N1O5S1 non-polymer 1.00 0.47 OPX OPY C9H19N3O1 non-polymer 0.00 0.00 OPY OPZ C16H18N4O5 non-polymer 0.00 0.00 OPZ OQ1 C9F2H14N2O3S1 non-polymer 1.00 0.59 OQ1 OQB C26H22N6O5 non-polymer 0.61 0.27 OQB OQC C11Cl1H10N1O1 non-polymer 0.00 0.00 OQC OQR C14H21N3O3 non-polymer 0.36 0.20 OQR OR5 C5H13O8P1 non-polymer 1.00 0.71 OR5 OR7 C12Cl2H16N2O4S1 non-polymer 0.50 0.24 OR7 OR8 C17Cl1H19N4O3S1 non-polymer 0.00 0.00 OR8 ORA C16H12N2O7S2 non-polymer 0.00 0.00 ORA ORB C18Cl1F1H17N3O3S1 non-polymer 0.00 0.00 ORB ORC C18H21N3O4S1 non-polymer 0.00 0.00 ORC ORD C5H12N2O2 D-peptide linking 0.00 0.00 ORD ORE C21F2H10O7 non-polymer 0.00 0.00 ORE ORG C14H21N7 non-polymer 0.00 0.00 ORG ORH C19F3H20N5O2 non-polymer 0.00 0.00 ORH ORI C16H12N2O4S1 non-polymer 0.00 0.00 ORI ORM C11Cl2H14N2O3S1 non-polymer 0.36 0.21 ORM ORN C5H12N2O2 L-peptide linking 0.00 0.00 ORN ORO C5H4N2O4 non-polymer 1.00 1.00 ORO ORP C5H11O7P1 saccharide 1.00 0.69 ORP ORQ C7H14N2O3 L-peptide linking 0.00 0.00 ORQ ORX C13H22N3O7P1 non-polymer 0.00 0.00 ORX OS Os1 non-polymer 0.00 0.00 OS OS1 C24Cl1H16N6O3Ru1 non-polymer 0.00 0.00 OS1 OS2 C15H19N5O1S1 non-polymer 0.00 0.00 OS2 OS3 C17H23N5O1S1 non-polymer 0.00 0.00 OS3 OS4 Os1 non-polymer 0.00 0.00 OS4 OS5 C24H30N8O1S1 non-polymer 0.00 0.00 OS5 OS6 C21H32N8O1S1 non-polymer 0.00 0.00 OS6 OSA C20H15N3O8S2 non-polymer 0.00 0.00 OSA OSB C11H10O5 non-polymer 0.69 0.44 OSB OSC C34H44N6O5 non-polymer 0.00 0.00 OSC OSE C3H7N1O6S1 L-peptide linking 0.83 0.64 OSE OSF C8H17O4S1 non-polymer 0.00 0.00 OSF OSL C3H6O7S1 non-polymer 0.91 0.64 OSL OSM C1H5N1O1S1 non-polymer 0.00 0.00 OSM OSP C10H14N2O4S2 non-polymer 0.00 0.00 OSP OSS C11H23N1O3S3 non-polymer 0.00 0.00 OSS OST C19H18O3 non-polymer 0.97 0.36 OST OSU C20H36O12 non-polymer 1.00 0.84 OSU OSV C27F1H31N4O3Ru1S4 non-polymer 0.58 0.10 OSV OT5 C25Cl2H28N4O2 non-polymer 0.62 0.09 OT5 OTA C10H10N2O5S1 non-polymer 0.00 0.00 OTA OTB C5H10O3 L-peptide linking 0.56 0.62 OTB OTC C22H24N2O9 non-polymer 0.20 0.09 OTC OTD C6H6N2O5 non-polymer 1.00 1.00 OTD OTE C16H34O5 non-polymer 0.88 0.76 OTE OTF C20F2H15N3O2 non-polymer 0.00 0.00 OTF OTG C14H19N1O6 non-polymer 1.00 0.95 OTG OTH C6H13N1O3 L-peptide linking 0.69 1.00 OTH OTJ C22Cl2H22N8O3 non-polymer 0.00 0.00 OTJ OTK C26H38O10 non-polymer 1.00 0.61 OTK OTM C26Cl1H21N10O2 non-polymer 0.22 0.15 OTM OTN C12H15N1O7S1 non-polymer 1.00 0.52 OTN OTP C40H68O7P2 non-polymer 0.62 0.84 OTP OTR C8H11N1O2 non-polymer 0.00 0.00 OTR OTS C8H11N1O2 non-polymer 0.00 0.00 OTS OTT C8H10O2 non-polymer 0.50 0.90 OTT OTU C12H22O11 non-polymer 1.00 1.00 OTU OTW C10H11N3 non-polymer 0.00 0.00 OTW OTY C9H11N1O4 L-peptide linking 0.00 0.00 OTY OTZ C8H7N3O3S1 peptide linking 0.00 0.00 OTZ OUD C5H10N2O4 non-polymer 0.00 0.00 OUD OUE C6H12N2O4 non-polymer 0.00 0.00 OUE OUH C7H12N4O2 non-polymer 0.00 0.00 OUH OUI C7H16N2O2 non-polymer 0.00 0.00 OUI OUK C7H18N3O2 non-polymer 0.00 0.00 OUK OUL C14H12N2O3 non-polymer 0.00 0.00 OUL OUR C7H18N5O2 non-polymer 0.00 0.00 OUR OUT C1H3N1O2 non-polymer 0.00 0.00 OUT OUY C20F2H18N4O5 non-polymer 1.00 0.65 OUY OV1 C25H49N3O6S1 peptide-like 0.70 0.20 OV1 OV2 C27H52N4O6 peptide-like 0.70 0.19 OV2 OV7 C4H7N1O4S1 D-peptide linking 0.86 1.00 OV7 OVA C16H26O5 non-polymer 0.38 0.24 OVA OVE C10H14N5O6P1S1 non-polymer 1.00 0.43 OVE OWL C18H17N7 non-polymer 0.00 0.00 OWL OX O1 non-polymer 0.00 0.00 OX OX1 C18H16O4 non-polymer 0.00 0.00 OX1 OX2 C9H14N2O6 D-saccharide 1.00 0.82 OX2 OX3 C14H17N1O3 non-polymer 0.45 0.44 OX3 OX4 C14F1H16N1O3 non-polymer 0.45 0.42 OX4 OX5 C13H17N1O3 non-polymer 0.53 0.59 OX5 OX6 C11H19N3O3 non-polymer 0.56 0.29 OX6 OX7 C11H19N3O3 non-polymer 0.56 0.29 OX7 OXA C2H5O1 non-polymer 0.00 0.00 OXA OXC C4H5N3O4 non-polymer 1.00 1.00 OXC OXD C2H2O4 non-polymer 0.00 0.00 OXD OXE C8H10 non-polymer 0.00 0.00 OXE OXG C5H3N5O2 non-polymer 0.00 0.00 OXG OXI C13H11N1O5 non-polymer 0.00 0.00 OXI OXK C23H36N7O19P3S1 non-polymer 1.00 0.43 OXK OXL C2O4 non-polymer 0.00 0.00 OXL OXM C2H3N1O3 non-polymer 0.00 0.00 OXM OXN C34H62O11 non-polymer 0.88 0.84 OXN OXO O1 non-polymer 0.00 0.00 OXO OXP C5H6O3 non-polymer 0.60 1.00 OXP OXQ C3H2N2O4 non-polymer 0.00 0.00 OXQ OXR C20H28O2 non-polymer 0.75 0.32 OXR OXS C6H6O7 non-polymer 0.95 1.00 OXS OXT C34H55N11O24P5S2 non-polymer 1.00 0.30 OXT OXV C33H44N4O5S1 non-polymer 0.88 0.30 OXV OXX C6H6N1O7 L-peptide linking 0.93 1.00 OXX OXY O2 non-polymer 0.00 0.00 OXY OXZ C5H11N1O4 non-polymer 1.00 1.00 OXZ OY0 C15H24N2O3S1 non-polymer 0.38 0.10 OY0 OYA C8H16O1 non-polymer 0.00 0.00 OYA OYJ C24Cl1F2H21N4O5S1 non-polymer 0.00 0.00 OYJ OYL C8H13N3O2 L-peptide linking 0.00 0.00 OYL OYP C23H34O3 non-polymer 0.50 0.12 OYP OYQ C13H20N2O3S1 non-polymer 0.00 0.00 OYQ OYS C14H14N2O3S1 non-polymer 0.00 0.00 OYS OZ2 C37H69O10P1 non-polymer 1.00 0.69 OZ2 OZJ C14H10N6O1 non-polymer 0.00 0.00 OZJ OZN C25Cl1H31N9O1 non-polymer 0.20 0.08 OZN OZR C14H16N2O8 non-polymer 0.50 0.46 OZR OZS C18F3H17N4O8 non-polymer 1.00 0.42 OZS OZT C5H7N1O4 L-peptide NH3 amino terminus 0.00 0.00 OZT OZY C31H56N7O18P1 non-polymer 1.00 0.74 OZY OZZ C19H19N3O9 non-polymer 1.00 0.45 OZZ P C13H18N5O7P1 DNA linking 1.00 0.35 P P00 C12H18N3O8P1 non-polymer 0.67 0.33 P00 P01 C19Cl1H25N6O1 non-polymer 0.50 0.41 P01 P02 C20F1H25N6O2S2 non-polymer 0.38 0.06 P02 P03 C10H22O5 non-polymer 0.83 1.00 P03 P04 C19H21N7O1 non-polymer 0.00 0.00 P04 P05 C20H24N4O2 peptide-like 0.00 0.00 P05 P06 C23F3H20N5O2S2 non-polymer 0.38 0.06 P06 P07 C20H18N6 non-polymer 0.00 0.00 P07 P08 C22H24N2O3 non-polymer 0.00 0.00 P08 P09 C22H19N1O4 non-polymer 0.00 0.00 P09 P0A C7H13N1O4 D-peptide linking 0.00 0.00 P0A P0C C12H15N3O5 non-polymer 1.00 0.50 P0C P0D C12H19N1O7P2 non-polymer 0.00 0.00 P0D P0E C39H73O9P1 non-polymer 1.00 0.63 P0E P0F C15Cl1F1H12N4O1 non-polymer 0.00 0.00 P0F P0G C21H26N2O4 non-polymer 0.38 0.22 P0G P0H C15H18N2O5 peptide-like 0.00 0.00 P0H P0L C14H22N1O5P1 peptide-like 0.00 0.00 P0L P0P C8H12N1O7P1 non-polymer 1.00 0.76 P0P P0Y C22H29N3O3S1 peptide-like 0.00 0.00 P0Y P10 C27H29N3O5 non-polymer 0.56 0.60 P10 P11 C41H56N17O8 non-polymer 0.20 0.05 P11 P12 C16H29N5O2 non-polymer 0.00 0.00 P12 P13 C24H33N5O1 non-polymer 0.00 0.00 P13 P14 C16H31N7O2 non-polymer 0.43 0.20 P14 P15 C13H28O7 non-polymer 0.88 1.00 P15 P16 C21Cl2H16N4O2 non-polymer 0.00 0.00 P16 P17 C21Cl2H16N4O1S1 non-polymer 0.00 0.00 P17 P18 C9H10O2 non-polymer 0.75 0.45 P18 P19 C17H14N6 non-polymer 0.00 0.00 P19 P1A C27H44O6 non-polymer 0.45 0.18 P1A P1B C19H20N2O3S1 non-polymer 0.00 0.00 P1B P1C C14H19N3O6S1 non-polymer 0.00 0.00 P1C P1D C13H16N3O8P1 non-polymer 1.00 0.48 P1D P1E C19F3H25N6O2S1 non-polymer 0.20 0.10 P1E P1F C18H23N1O2 non-polymer 0.00 0.00 P1F P1G C12H16N5O8P1 non-polymer 1.00 0.38 P1G P1H C30H38N8O15P2 non-polymer 1.00 0.42 P1H P1L C19H37N1O3S1 L-peptide linking 0.00 0.00 P1L P1M Br1C15H21N2 non-polymer 0.00 0.00 P1M P1O C28H57N1O8P1 non-polymer 0.98 0.58 P1O P1P C3H6O4P1 RNA linking 0.83 0.62 P1P P1R C4H4N2 non-polymer 0.00 0.00 P1R P1S C17H14O6 non-polymer 0.00 0.00 P1S P1T C11H15N2O7P1 non-polymer 0.93 0.29 P1T P1Y Br1C13H11N2O5 non-polymer 1.00 0.62 P1Y P1Z C19H20N2O2 non-polymer 0.00 0.00 P1Z P20 C10Cl1H12N3O2S1 non-polymer 0.00 0.00 P20 P21 C24Cl1H31N2O2 non-polymer 0.59 0.28 P21 P22 C2H8O7P2 non-polymer 0.00 0.00 P22 P23 C3H10O7P2 non-polymer 0.58 0.33 P23 P24 C6H17N3 non-polymer 0.00 0.00 P24 P25 C5H14O7P2 non-polymer 0.00 0.00 P25 P26 C23H26O4 non-polymer 0.00 0.00 P26 P27 C29F6H23N3O6P2 non-polymer 0.00 0.00 P27 P28 C17H15N3O9 non-polymer 0.50 0.34 P28 P29 C17H15N9 non-polymer 0.00 0.00 P29 P2A C7H13O8P1 non-polymer 0.98 0.75 P2A P2B C19H19N5O2 non-polymer 0.00 0.00 P2B P2C C13Cl2H9N1O5 non-polymer 0.00 0.00 P2C P2D C5H8O2 non-polymer 0.00 0.00 P2D P2E C20H32O5 non-polymer 0.46 0.52 P2E P2F C38H52N4O6S1 non-polymer 0.38 0.33 P2F P2G C11H14N5O8P1 non-polymer 1.00 0.40 P2G P2H C13H16N1O7P2 non-polymer 0.00 0.00 P2H P2I C13H22O13P1 non-polymer 1.00 0.89 P2I P2K C12H26O7 non-polymer 0.88 1.00 P2K P2L C11Cl1H17N4O1 non-polymer 0.00 0.00 P2L P2M C16H14N2O2S1 non-polymer 0.00 0.00 P2M P2N C17Cl1H19O5 non-polymer 0.00 0.00 P2N P2O C6H7N1O2 non-polymer 0.00 0.00 P2O P2P C10H13N4O8P1 non-polymer 1.00 0.43 P2P P2Q C20H22N2O6 L-peptide linking 0.62 0.29 P2Q P2S C9H19N2O8P1S1 non-polymer 0.00 0.00 P2S P2T C13H21N2O9P1 RNA linking 1.00 0.84 P2T P2U C9H13N2O8P1 DNA linking 1.00 0.55 P2U P2X C16H16N6O1 non-polymer 0.36 0.17 P2X P2Y C5H12N2 L-peptide linking 0.00 0.00 P2Y P2Z C17H20N2S1 non-polymer 0.20 0.15 P2Z P30 C29H32N6O4S1 non-polymer 0.38 0.05 P30 P31 C20Cl1F3H15N5 non-polymer 0.00 0.00 P31 P32 C16H21N3O2 non-polymer 0.57 0.48 P32 P33 C14H30O8 non-polymer 0.88 1.00 P33 P34 C17H17N3O2 non-polymer 0.20 0.14 P34 P35 C19H23N3O4S1 non-polymer 0.00 0.00 P35 P36 Br1C19H16N1O2 non-polymer 0.00 0.00 P36 P37 C24F2H21N5O2 non-polymer 0.00 0.00 P37 P38 C33H32N8O3 non-polymer 0.25 0.11 P38 P39 C34H35N7O3 non-polymer 0.31 0.18 P39 P3A C41H78O15P2 non-polymer 1.00 0.59 P3A P3B C15H19N2O9P1 non-polymer 0.00 0.00 P3B P3D C13H22N3O5P1 non-polymer 0.00 0.00 P3D P3F C18F3H18N4O7P1 non-polymer 0.32 0.27 P3F P3G C12H26O5 non-polymer 0.88 1.00 P3G P3I Br1C18H17N4O4S1 non-polymer 1.00 0.36 P3I P3J C8H8N4 non-polymer 0.00 0.00 P3J P3M C18H33O19P1 saccharide 1.00 0.89 P3M P3N C32H38N6O5 peptide-like 0.38 0.05 P3N P3P C5H13N1O7P2 non-polymer 0.00 0.00 P3P P3Q C21H24N2O5 L-peptide linking 0.50 0.11 P3Q P3S C5H13N2O6P1S1 non-polymer 0.00 0.00 P3S P3T C12H22N3O5P1 non-polymer 0.00 0.00 P3T P3U C24Cl2H30N6O2S1 non-polymer 0.00 0.00 P3U P3Y C22H20N4O2 non-polymer 0.50 0.14 P3Y P3Z C15H16N2O2 non-polymer 0.00 0.00 P3Z P40 C25H29N5O2 non-polymer 0.00 0.00 P40 P41 C19F1H16N3O1S1 non-polymer 0.36 0.16 P41 P42 C42H88N1O8P1 non-polymer 0.98 0.42 P42 P43 C25F1H23N2O2 non-polymer 0.17 0.23 P43 P44 C19H21N7 non-polymer 0.00 0.00 P44 P45 C19Cl1H14N7 non-polymer 0.00 0.00 P45 P46 C23H27N5O6S1 non-polymer 0.00 0.00 P46 P47 C17Cl1H15O2 non-polymer 0.50 0.25 P47 P48 C25H32N8O1 non-polymer 0.50 0.12 P48 P49 C17H15N5O2 non-polymer 0.00 0.00 P49 P4A C17H16N2O3 non-polymer 0.00 0.00 P4A P4C C14H28O8 non-polymer 0.88 1.00 P4C P4D C13H18N1O7P1 peptide-like 0.75 0.41 P4D P4E C11H13N1O2 L-peptide linking 0.50 0.50 P4E P4F C5F2H8N1O6P1 D-peptide linking 0.45 0.60 P4F P4G C8H18O3 non-polymer 0.88 1.00 P4G P4K C30H62O15 non-polymer 0.88 1.00 P4K P4L C12H11N3O1S1 non-polymer 0.00 0.00 P4L P4O C21H16N4O1 non-polymer 0.00 0.00 P4O P4P C24H20P1 non-polymer 0.00 0.00 P4P P4T C12H12N2O1S1 non-polymer 0.62 0.19 P4T P4U C12H19N2O9P1 RNA linking 1.00 0.58 P4U P4Y C20H15N3O4 non-polymer 1.00 0.48 P4Y P50 C40H76N1O9P1 non-polymer 0.98 0.53 P50 P51 C25H31I1N2O2 non-polymer 0.50 0.10 P51 P52 C27H37N4O4P1 non-polymer 0.00 0.00 P52 P53 C13H19O10P1 D-saccharide 1.00 0.50 P53 P54 C18H19N5S1 non-polymer 0.00 0.00 P54 P55 C18H20N8 non-polymer 0.00 0.00 P55 P58 C9H11N1S2 non-polymer 0.30 0.25 P58 P59 C20F1H15N2O1 non-polymer 0.00 0.00 P59 P5A C15H21N7O7S1 non-polymer 1.00 0.33 P5A P5B C26H33N7O5S1 non-polymer 0.00 0.00 P5B P5C C18H24N6O1 non-polymer 1.00 0.44 P5C P5D C13H18N1O6P1 peptide-like 0.75 0.43 P5D P5F C32H40N10O17P2 non-polymer 1.00 0.51 P5F P5J C27H22N6O1 non-polymer 0.00 0.00 P5J P5K C24H27N3O4S2 non-polymer 0.38 0.06 P5K P5M C16H13O7 non-polymer 0.00 0.00 P5M P5P C10H13N4O7P1 RNA linking 1.00 0.45 P5P P5S C42H82N1O10P1 non-polymer 0.98 0.41 P5S P5U C10H10N2O5S1 non-polymer 0.83 0.39 P5U P5V C23H20N4O2 non-polymer 0.00 0.00 P5V P60 C10F1H6N1O3 non-polymer 0.00 0.00 P60 P61 C17F1H18N2O8P1 non-polymer 0.93 0.14 P61 P63 C20H16N8O1 non-polymer 0.00 0.00 P63 P64 C20H24N4 non-polymer 0.20 0.12 P64 P65 C14Cl3H15N4O2 non-polymer 1.00 0.61 P65 P66 C21Cl1F2H15N6O1 non-polymer 0.00 0.00 P66 P68 Br1C18H20N3O2 non-polymer 0.38 0.17 P68 P69 C20F1H15N2O1 non-polymer 0.00 0.00 P69 P6A C14Cl1H10N1O2 non-polymer 0.00 0.00 P6A P6B C13H15N3O2 non-polymer 0.00 0.00 P6B P6C C10H11N5O2 non-polymer 0.00 0.00 P6C P6F C6H14O12P2 non-polymer 1.00 0.60 P6F P6G C12H26O7 non-polymer 0.88 1.00 P6G P6L C40H75O10P1 non-polymer 1.00 0.65 P6L P6M C17F5H20N3S1 non-polymer 0.00 0.00 P6M P6P C6H13O9P1 D-saccharide 1.00 0.75 P6P P6T C6H14O12P2 non-polymer 1.00 0.60 P6T P6U C16F5H18N3S1 non-polymer 0.00 0.00 P6U P70 C17H19N2O7P1 non-polymer 0.41 0.30 P70 P71 C17H19N2O7P1 non-polymer 0.93 0.15 P71 P74 C24H36I1N3O3 non-polymer 0.56 0.16 P74 P76 C24H27N3O4 non-polymer 0.50 0.26 P76 P77 C20Cl1H24N3S1 non-polymer 0.00 0.00 P77 P78 C24H27N3O4S2 non-polymer 0.38 0.06 P78 P79 C24H29N5O4S1 non-polymer 0.38 0.06 P79 P7A C23H27N3O3S2 non-polymer 0.38 0.06 P7A P7B C25H28N4O3S1 non-polymer 0.38 0.06 P7B P7C C25Cl2H33N5O3S1 non-polymer 0.38 0.06 P7C P7G C13H22N5O8P1 RNA linking 1.00 0.37 P7G P7I C2H8N1O3P1 non-polymer 0.00 0.00 P7I P7Y C8H7N1O3 non-polymer 0.20 0.25 P7Y P80 C8H7N1O3 non-polymer 0.20 0.25 P80 P81 C8H7N1O3 non-polymer 0.18 0.50 P81 P83 C16H18N2 non-polymer 0.00 0.00 P83 P84 C14H20I2N2O1 non-polymer 0.00 0.00 P84 P85 C25F1H27N2O1 non-polymer 0.00 0.00 P85 P86 C16H24I2N2O1 non-polymer 0.00 0.00 P86 P87 C11H19N1O2 non-polymer 0.00 0.00 P87 P88 C31H28N2O4 non-polymer 0.00 0.00 P88 P89 C19H31N2O6P1 non-polymer 0.00 0.00 P89 P8D C7H14N1O6P1 non-polymer 0.75 0.60 P8D P8H Br1C15H20N3O1 non-polymer 0.00 0.00 P8H P8P C19H38O11P2 non-polymer 0.98 0.44 P8P P8S C8F17H1O3S1 non-polymer 0.00 0.07 P8S P8X C44H58N4O14 non-polymer 0.00 0.00 P8X P90 C31F2H25N4O3P1S1 non-polymer 0.25 0.07 P90 P91 Br1C20Cl1H15N3O4 non-polymer 0.64 0.21 P91 P93 C10H14N2O2 non-polymer 0.00 0.00 P93 P94 C19H18N4 non-polymer 0.00 0.00 P94 P95 C16H10N6O2S2 non-polymer 0.00 0.00 P95 P96 C25H32I1N3O1 non-polymer 0.00 0.07 P96 P97 C20Cl1H23N4O2 peptide-like 0.00 0.00 P97 P98 C26H23N3O1 non-polymer 0.00 0.00 P98 P99 C16F2H16N2O4S2 non-polymer 0.00 0.00 P99 P9A C24H29N1O7 non-polymer 0.00 0.00 P9A P9B C13F5H8N3O3S1 non-polymer 0.00 0.00 P9B P9C C30H33N1O7 non-polymer 0.00 0.00 P9C P9D C31H39N11O6S1 non-polymer 0.64 0.20 P9D P9G C23H27N8O7P1Pt1 DNA linking 1.00 0.22 P9G P9I C15H13N2O1 non-polymer 0.75 0.17 P9I P9J C18H15N5O1 non-polymer 0.00 0.00 P9J P9L C14H19N3O4S1 non-polymer 0.00 0.00 P9L P9M C17H22N2O3S1 non-polymer 0.00 0.00 P9M P9N C21H34O2 non-polymer 0.00 0.00 P9N P9P C6Cl1H4N1O3 non-polymer 0.00 0.00 P9P P9S C6H13N1O4S1 L-peptide linking 0.73 1.00 P9S P9T C10F2H7O5P1 non-polymer 0.00 0.00 P9T PA0 As1C6H5O1 non-polymer 0.00 0.00 PA0 PA1 C6H13N1O5 D-saccharide 1.00 1.00 PA1 PA2 C6H14N2O2 non-polymer 1.00 1.00 PA2 PA3 C5H10O3 non-polymer 0.00 0.00 PA3 PA4 C6H14N2O4 non-polymer 1.00 1.00 PA4 PA5 C5H11O9P1 saccharide 1.00 0.73 PA5 PA6 C9H17O8P1 non-polymer 0.98 0.56 PA6 PA7 C13H18N6O4 non-polymer 1.00 0.48 PA7 PA8 C19H36O8P1 non-polymer 0.98 0.50 PA8 PA9 C9H17N2O7P1 non-polymer 0.58 0.53 PA9 PAB C7H7N1O2 non-polymer 0.00 0.00 PAB PAC C8H8O2 non-polymer 0.00 0.00 PAC PAD C21H27N7O14P2 non-polymer 1.00 0.57 PAD PAE C2H5O5P1 non-polymer 0.00 0.00 PAE PAF C6H11O4 non-polymer 0.93 1.00 PAF PAG C3H7O7P1 non-polymer 0.91 0.64 PAG PAH C2H6N1O5P1 non-polymer 0.00 0.00 PAH PAI C9H23N1O13P2 non-polymer 1.00 0.64 PAI PAJ C16H24N5O10P1 non-polymer 1.00 0.66 PAJ PAK C17H11N3O1 non-polymer 0.00 0.00 PAK PAL C6H10N1O8P1 non-polymer 0.86 0.56 PAL PAM C16H30O2 non-polymer 0.42 0.33 PAM PAN C5H12N1O9P1 non-polymer 1.00 0.69 PAN PAO C7H15N2O6P1 non-polymer 0.00 0.00 PAO PAP C10H16N5O13P3 non-polymer 1.00 0.32 PAP PAQ C14H16N4O4 L-peptide linking 0.00 0.00 PAQ PAR C23H45N5O14 non-polymer 1.00 1.00 PAR PAS C4H8N1O7P1 L-peptide linking 0.84 0.69 PAS PAT C11H13N2O5P1 L-peptide linking 0.93 0.21 PAT PAU C9H17N1O5 peptide-like 0.68 1.00 PAU PAV C5H10O5 non-polymer 1.00 1.00 PAV PAW C8H23N5 non-polymer 0.00 0.00 PAW PAX C20H27N7O20P4 non-polymer 1.00 0.53 PAX PAY C12H18O8 non-polymer 0.60 0.35 PAY PAZ C9H18N1O8P1 non-polymer 0.66 0.79 PAZ PB Pb1 non-polymer 0.00 0.00 PB PB0 C36F2H50N4O5 non-polymer 0.58 0.09 PB0 PB1 C10H20N2O4 non-polymer 0.00 0.00 PB1 PB2 C16H14N2 non-polymer 0.00 0.00 PB2 PB3 C22H22N4O2 non-polymer 0.00 0.00 PB3 PB4 C22F2H20N4O2 non-polymer 0.00 0.00 PB4 PB5 C18H16N6O2 non-polymer 0.00 0.00 PB5 PB6 C11H18N1O6P2 non-polymer 0.44 0.20 PB6 PB7 C38H50N4O5 non-polymer 0.00 0.00 PB7 PB8 C38F2H46N4O4 non-polymer 0.00 0.00 PB8 PB9 C28H33N7O4S1 non-polymer 0.00 0.00 PB9 PBA B1C8H11O2 non-polymer 0.00 0.00 PBA PBB Br1C10H12N1O2S1 L-peptide linking 0.00 0.00 PBB PBC B1C6H7O2 non-polymer 0.00 0.00 PBC PBD C15H20N4O2S1 non-polymer 0.00 0.00 PBD PBE C7H14N1O2 non-polymer 0.00 0.00 PBE PBF C16H15N1O3 L-peptide linking 0.00 0.00 PBF PBG C10H14N2O4 non-polymer 0.00 0.00 PBG PBH C34H40N6O4 non-polymer 0.83 0.11 PBH PBI C13H15N3O3 non-polymer 0.00 0.00 PBI PBK C22H36N5O8P1 non-polymer 1.00 0.44 PBK PBL C5H12O4 non-polymer 0.00 0.00 PBL PBM C3H9Pb1 non-polymer 0.00 0.00 PBM PBN C10H15N1 non-polymer 0.00 0.00 PBN PBO C9H11N1O1 non-polymer 0.00 0.00 PBO PBP Br1C8H7O1 non-polymer 0.62 0.30 PBP PBQ Br5C10H4N1O1 non-polymer 0.00 0.00 PBQ PBR Br5C6H1O1 non-polymer 0.00 0.00 PBR PBS C32H63N1O9 non-polymer 1.00 0.50 PBS PBT C10H17N2O8P1 DNA linking 1.00 0.81 PBT PBU C17H33O19P3 non-polymer 1.00 0.67 PBU PBX Br1C6H5O3 non-polymer 0.00 0.00 PBX PBZ C7H10N3 non-polymer 0.00 0.00 PBZ PC C5H15N1O4P1 non-polymer 0.50 0.45 PC PC0 C16F1H19N4O1S1 non-polymer 0.00 0.00 PC0 PC1 C44H88N1O8P1 non-polymer 0.98 0.41 PC1 PC2 C44H89N1O8P1 non-polymer 0.98 0.41 PC2 PC3 C36Co1H36N4O8 non-polymer 0.00 0.00 PC3 PC4 Cl4Pt1 non-polymer 0.00 0.00 PC4 PC5 C18H36N1O6P1S2 non-polymer 0.98 0.79 PC5 PC6 C45H90N1O8P1 non-polymer 0.98 0.40 PC6 PC7 C42H85N1O8P1 non-polymer 0.98 0.42 PC7 PC8 C24H49N1O8P1 non-polymer 0.98 0.65 PC8 PC9 Br2C42H83N1O8P1 non-polymer 0.98 0.41 PC9 PCA C5H7N1O3 L-peptide linking 0.00 0.00 PCA PCB C14Cl4H10O4S2 non-polymer 0.00 0.00 PCB PCC C5H7N1O3 L-peptide linking 0.00 0.00 PCC PCD C19H27N8O16P2S2 non-polymer 1.00 0.49 PCD PCE C15H25N1O3 L-peptide linking 0.00 0.00 PCE PCF C40H80N1O8P1 non-polymer 0.98 0.44 PCF PCG C10H12N5O7P1 non-polymer 1.00 0.43 PCG PCH C15H24N2O2 non-polymer 0.00 0.00 PCH PCI C6Cl5H1O1 non-polymer 0.00 0.00 PCI PCJ C54H105N1O6S1 non-polymer 0.65 0.31 PCJ PCK Br4C44H85N1O8P1 non-polymer 0.98 0.38 PCK PCL Cl2Pt1 non-polymer 0.00 0.00 PCL PCM C32H42N4O7 non-polymer 0.00 0.00 PCM PCN C14H19N5O5S2 non-polymer 0.50 0.46 PCN PCO C11H20N2O4S1 non-polymer 0.65 0.89 PCO PCP C6H15O13P3 non-polymer 1.00 0.45 PCP PCQ C12Cl4H6O2 non-polymer 0.00 0.00 PCQ PCR C7H8O1 non-polymer 0.00 0.00 PCR PCS C10Cl1H12N1O1 L-peptide linking 0.00 0.00 PCS PCT C2H6N1O4P1 non-polymer 0.00 0.00 PCT PCU C44Cu1H36N8 non-polymer 0.00 0.00 PCU PCV C8H14N2O4 non-polymer 0.00 0.00 PCV PCW C44H85N1O8P1 non-polymer 0.98 0.63 PCW PCX C9H16N4O3 non-polymer 0.43 0.62 PCX PCY C28H38N4O8 non-polymer 1.00 0.53 PCY PCZ C14H15N5O5S2 non-polymer 0.50 0.46 PCZ PD Pd1 non-polymer 0.00 0.00 PD PD1 C28H41N7O3 non-polymer 0.39 0.13 PD1 PD2 C7H5N1O4 non-polymer 0.00 0.00 PD2 PD3 C25F3H24N7O1 non-polymer 0.00 0.00 PD3 PD4 C24H32N6O4 non-polymer 0.58 0.21 PD4 PD5 C22F3H20N7O1 non-polymer 0.36 0.12 PD5 PD6 C18H19N3O1 non-polymer 0.00 0.00 PD6 PD7 C17H33O8P1 non-polymer 0.98 0.54 PD7 PD8 C14H13N6O6P1 non-polymer 0.00 0.00 PD8 PD9 C14H15N3O5 non-polymer 0.50 0.32 PD9 PDA C11H17N2O7P1 non-polymer 0.64 0.29 PDA PDB C15Cl1F3H12N4O1 non-polymer 0.00 0.00 PDB PDC C7H5N1O4 non-polymer 0.00 0.00 PDC PDD C11H17N2O7P1 D-peptide linking 0.64 0.29 PDD PDE C13H17N2O8P1 non-polymer 0.64 0.25 PDE PDF C5F2H7N1O2 non-polymer 0.00 0.00 PDF PDG C13H19N2O9P1 non-polymer 0.68 0.40 PDG PDH C9H13N1O1 non-polymer 0.00 0.00 PDH PDI C3H9O5P1 non-polymer 0.75 0.56 PDI PDJ C38H75N1O5S1 non-polymer 0.65 0.42 PDJ PDK C47H87N4O17P1 non-polymer 0.98 0.65 PDK PDL C11H17N2O7P1 L-peptide linking 0.64 0.29 PDL PDM C14H16N2O5 non-polymer 0.72 0.38 PDM PDN C21H26O5 non-polymer 0.60 0.31 PDN PDO C3H8O2 non-polymer 0.67 1.00 PDO PDP C8H11N1O9P2 non-polymer 1.00 0.60 PDP PDQ C18F1H24N5O2 non-polymer 0.00 0.00 PDQ PDR C17Cl1H15N4O2 non-polymer 0.00 0.00 PDR PDS C27H28N4O2 non-polymer 0.20 0.09 PDS PDT C3H8S2 non-polymer 0.00 0.00 PDT PDU C12H19N2O8P1 DNA linking 1.00 0.39 PDU PDV H1O7V2 non-polymer 0.00 0.00 PDV PDW C6H11N1O2 D-peptide linking 0.56 0.78 PDW PDX C6H12O12S2 non-polymer 1.00 0.60 PDX PDY C20H26N6O1 non-polymer 0.00 0.00 PDY PDZ C17Cl1F1H12N2O2 non-polymer 0.00 0.00 PDZ PE0 C6H5N5O1 non-polymer 0.00 0.00 PE0 PE1 C14H24N3O7P1 L-peptide linking 0.00 0.00 PE1 PE2 C10H15N5O3 non-polymer 0.65 0.39 PE2 PE3 C28H58O15 non-polymer 0.88 1.00 PE3 PE4 C16H34O8 non-polymer 0.88 1.00 PE4 PE5 C18H38O9 non-polymer 0.88 1.00 PE5 PE6 C12H27O10P1 non-polymer 0.88 0.83 PE6 PE7 C14H30O7S1 non-polymer 0.88 0.95 PE7 PE8 C16H34O9 non-polymer 0.88 1.00 PE8 PE9 C5H12O1 non-polymer 0.00 0.00 PE9 PEA C8H12N1 non-polymer 0.00 0.00 PEA PEB C33H40N4O6 non-polymer 0.38 0.05 PEB PEC C8H17N1O2S2 L-peptide linking 0.00 0.00 PEC PED C5H13O6P1 non-polymer 1.00 0.67 PED PEE C41H83N1O8P1 non-polymer 0.98 0.37 PEE PEF C37H74N1O8P1 non-polymer 0.98 0.40 PEF PEG C4H10O3 non-polymer 0.75 1.00 PEG PEH C41H82N1O8P1 non-polymer 0.98 0.37 PEH PEI C5H10O2 non-polymer 0.00 0.00 PEI PEJ I1O4 non-polymer 0.00 0.00 PEJ PEK C43H78N1O8P1 non-polymer 0.98 0.62 PEK PEL C8H10O1 non-polymer 0.00 0.00 PEL PEM C19Cl1H20N1O4 non-polymer 0.81 0.28 PEM PEO H2O2 non-polymer 0.00 0.00 PEO PEP C3H5O6P1 non-polymer 0.95 0.60 PEP PEQ C3H7O6P1 non-polymer 0.98 0.60 PEQ PER O2 non-polymer 0.00 0.00 PER PET C18H22N4O3 non-polymer 0.88 0.28 PET PEU C55H112O28 non-polymer 0.88 1.00 PEU PEV C39H78N1O8P1 non-polymer 0.98 0.39 PEV PEW Br2C39H76N1O8P1 non-polymer 0.98 0.37 PEW PEX C25H49N1O8P1 non-polymer 0.98 0.54 PEX PEY C14H10 non-polymer 0.00 0.00 PEY PEZ C4H9O6P1 non-polymer 0.81 0.64 PEZ PF C13H12N3 non-polymer 0.00 0.00 PF PF0 C8H8O3 non-polymer 0.00 0.00 PF0 PF1 C9H14N4O2 non-polymer 0.71 0.40 PF1 PF2 C17F2H24N6O1 non-polymer 0.00 0.00 PF2 PF3 C25H20N2O3S1 non-polymer 0.40 0.35 PF3 PF4 C21H18N2O2S1 non-polymer 0.00 0.00 PF4 PF5 C9F5H6N1O2 L-peptide linking 0.00 0.00 PF5 PF6 C25H20N4O1 non-polymer 0.00 0.00 PF6 PF7 C16H18N2O2 non-polymer 0.00 0.00 PF7 PF8 C24H18N4O1 non-polymer 0.00 0.00 PF8 PF9 C25H20N4O1 non-polymer 0.00 0.00 PF9 PFA C20H21N3O4 non-polymer 0.00 0.00 PFA PFB C7F5H3O1 non-polymer 0.00 0.00 PFB PFC C34Fe1H48N9O12 non-polymer 0.00 0.00 PFC PFD C20F1H19N2O6 non-polymer 1.00 0.52 PFD PFE C22H22N4O3S1 non-polymer 0.00 0.00 PFE PFF C9F1H10N1O2 L-peptide linking 0.00 0.00 PFF PFG C39H44N8O15 non-polymer 0.68 0.63 PFG PFH C24H23N3O3 non-polymer 0.00 0.00 PFH PFI C21F1H27O4 non-polymer 0.58 0.15 PFI PFJ C22H21N5O3 non-polymer 0.00 0.00 PFJ PFK C20H17N3O2 non-polymer 0.00 0.00 PFK PFL C12H18O1 non-polymer 0.00 0.00 PFL PFM C14H19N2O8P1 non-polymer 0.55 0.36 PFM PFN C15H14O3 non-polymer 0.46 0.44 PFN PFO C22F1H22N7O1 non-polymer 0.00 0.00 PFO PFP C22H21N3O4 non-polymer 0.00 0.00 PFP PFQ C20H17N3O2 non-polymer 0.00 0.00 PFQ PFR C27H28N4O2 non-polymer 0.00 0.00 PFR PFS C26H54N1O7P1 non-polymer 0.98 0.57 PFS PFT C15H13N1O3 non-polymer 0.00 0.00 PFT PFU C9H14N3O9P1 non-polymer 1.00 0.82 PFU PFV C20H26N8O12S2 non-polymer 0.81 0.40 PFV PFW C31H30N4O2 non-polymer 0.00 0.00 PFW PFX C15H24N2O8P1 L-peptide NH3 amino terminus 0.99 0.42 PFX PFY C32Cl2H34N4O4S1 non-polymer 0.00 0.00 PFY PFZ C17Cl2H22N2O1 non-polymer 0.00 0.00 PFZ PG0 C5H12O3 non-polymer 0.81 0.88 PG0 PG1 C19H23N3O7S1 L-peptide linking 0.81 0.23 PG1 PG2 C20H32O5 non-polymer 0.46 0.52 PG2 PG3 C4H12N3O1 non-polymer 0.50 0.75 PG3 PG4 C8H18O5 non-polymer 0.88 1.00 PG4 PG5 C8H18O4 non-polymer 0.88 1.00 PG5 PG6 C12H26O6 non-polymer 0.88 1.00 PG6 PG7 C10H14N5O7P1 DNA linking 1.00 0.39 PG7 PG8 C22H42O10P1 non-polymer 1.00 0.64 PG8 PG9 C8H9N1O2 D-peptide linking 0.00 0.00 PG9 PGA C2H5O6P1 non-polymer 0.00 0.00 PGA PGC C2H6N1O6P1 non-polymer 0.00 0.00 PGC PGD C20H24N10O13P2S2 non-polymer 1.00 0.49 PGD PGE C6H14O4 non-polymer 0.81 1.00 PGE PGF C9H20O4 non-polymer 0.88 1.00 PGF PGG C12H15N2O8P1 non-polymer 0.00 0.00 PGG PGH C2H6N1O6P1 non-polymer 0.00 0.00 PGH PGI C16H21N2O4 non-polymer 1.00 0.55 PGI PGJ C22F1H18N3O5 non-polymer 0.00 0.00 PGJ PGK Br2C40H77O10P1 non-polymer 1.00 0.40 PGK PGL C1H6N1O3P1 peptide-like 0.00 0.00 PGL PGM C22H44O9P1 non-polymer 1.00 0.53 PGM PGN C10H15N5O10P2 DNA linking 1.00 0.33 PGN PGO C3H8O2 non-polymer 0.67 1.00 PGO PGP C10H15N5O11P2 RNA linking 1.00 0.36 PGP PGQ C3H8O2 non-polymer 0.67 1.00 PGQ PGR C3H8O2 non-polymer 0.67 1.00 PGR PGS C10H15N4O10P2S1 non-polymer 1.00 0.37 PGS PGT C40H79O10P1 non-polymer 1.00 0.41 PGT PGU C13H19N2O9P1 non-polymer 0.68 0.40 PGU PGV C40H77O10P1 non-polymer 1.00 0.53 PGV PGW C40H77O10P1 non-polymer 1.00 0.53 PGW PGX C20H32O6 non-polymer 0.42 0.50 PGX PGY C8H9N1O2 L-peptide linking 0.00 0.00 PGY PGZ C22H28N1O8P1S1 non-polymer 1.00 0.55 PGZ PH0 C27H31N2O5P1 non-polymer 0.00 0.00 PH0 PH1 C43H88O2 non-polymer 0.83 0.24 PH1 PH2 C7H9N5O2 non-polymer 0.00 0.00 PH2 PH3 C7Cl1H8N3O1 non-polymer 0.00 0.00 PH3 PH4 C5H13N1O10P2 non-polymer 0.64 0.50 PH4 PH5 C19H27N1O9 non-polymer 1.00 0.76 PH5 PH6 C11H19N1O2 L-peptide linking 0.00 0.00 PH6 PH7 Br1C22H16N1O4 non-polymer 0.93 0.25 PH7 PH8 C11H15N1O2 L-peptide linking 0.00 0.00 PH8 PH9 Br1C26H28N1O4 non-polymer 0.00 0.00 PH9 PHA C9H11N1O1 L-peptide linking 0.00 0.00 PHA PHB C7H6O3 non-polymer 0.00 0.00 PHB PHC C10H13N1O1 non-polymer 0.60 0.33 PHC PHD C4H8N1O7P1 L-peptide linking 0.84 0.69 PHD PHE C9H11N1O2 L-peptide linking 0.00 0.00 PHE PHE_LEO2 C9H9N1O2 NA 0.00 0.00 PHE_LEO2 PHE_LEO2H C9H10N1O2 NA 0.00 0.00 PHE_LEO2H PHE_LFOH C9H11N1O2 NA 0.00 0.00 PHE_LFOH PHE_LFZW C9H11N1O2 NA 0.00 0.00 PHE_LFZW PHE_LL C9H9N1O1 NA 0.00 0.00 PHE_LL PHE_LSN3 C9H11N1O1 NA 0.00 0.00 PHE_LSN3 PHF H11Hf5O23P1 non-polymer 0.00 0.00 PHF PHG C6H5Hg1 non-polymer 0.00 0.00 PHG PHH C8Cl4H2O2 non-polymer 0.00 0.00 PHH PHI C9H10I1N1O2 L-peptide linking 0.00 0.00 PHI PHJ C7H8N2O2 non-polymer 0.00 0.00 PHJ PHK C10Cl1H14N1O1 non-polymer 0.00 0.00 PHK PHL C9H13N1O1 L-peptide linking 0.00 0.00 PHL PHM C10Cl1H12N1O1 peptide-like 0.00 0.00 PHM PHN C12H8N2 non-polymer 0.00 0.00 PHN PHO C55H74N4O5 non-polymer 0.62 0.28 PHO PHP C42H51N4O8P1 non-polymer 0.00 0.00 PHP PHQ C8Cl1H7O2 non-polymer 0.00 0.00 PHQ PHR C16H27N4O11P1 non-polymer 0.97 0.31 PHR PHS H3O3P1 non-polymer 0.00 0.00 PHS PHT C8H6O4 non-polymer 0.00 0.00 PHT PHU C7H8N2O1 non-polymer 0.00 0.00 PHU PHV C33H40N3O8P1 peptide-like 0.56 0.11 PHV PHW C45H48N3O9P1 peptide-like 0.75 0.10 PHW PHX C14H14N2O4 non-polymer 0.00 0.00 PHX PHY C6H15N1O7P2 non-polymer 0.69 0.38 PHY PHZ C6H8N2 non-polymer 0.00 0.00 PHZ PI H1O4P1 non-polymer 0.00 0.00 PI PI0 C26H36N6O5S1 non-polymer 0.00 0.00 PI0 PI1 C34H53N7O8 non-polymer 0.00 0.00 PI1 PI2 C23H36N4O5 non-polymer 0.00 0.00 PI2 PI3 C24H39N3O4 non-polymer 0.00 0.00 PI3 PI4 C28H43N5O6 non-polymer 0.39 0.13 PI4 PI5 C37H53N5O7 non-polymer 0.00 0.00 PI5 PI6 C33H48N4O6 peptide-like 0.56 0.12 PI6 PI7 C36H53N5O7 non-polymer 0.00 0.00 PI7 PI8 C41H54N4O6 non-polymer 0.00 0.00 PI8 PI9 C32H48N4O6S1 non-polymer 0.00 0.00 PI9 PIA C14H15N3O4 L-peptide linking 0.00 0.00 PIA PIB C17H32O16P2 non-polymer 1.00 0.74 PIB PIC C12F2H9O5P1 non-polymer 0.00 0.00 PIC PID C39H50O7 non-polymer 1.00 0.37 PID PIE C43H80O13P1 non-polymer 1.00 0.56 PIE PIF C25H48O16P2 non-polymer 1.00 0.60 PIF PIG C6H14O4 non-polymer 0.81 1.00 PIG PIH C6H5I1 non-polymer 0.00 0.00 PIH PII C42H81O13P1 non-polymer 1.00 0.46 PII PIK C41H81O19P3 non-polymer 1.00 0.41 PIK PIL C18Cl2H18N2O3 non-polymer 0.00 0.00 PIL PIM C9H8N2 non-polymer 0.00 0.00 PIM PIN C8H18N2O6S2 non-polymer 0.00 0.00 PIN PIO C25H49O19P3 non-polymer 1.00 0.55 PIO PIP C5H11N1 non-polymer 0.00 0.00 PIP PIQ C13H12N4 non-polymer 0.00 0.00 PIQ PIR C11H16N2O3 non-polymer 1.00 0.75 PIR PIS H3O6P2S1 non-polymer 0.00 0.00 PIS PIT C14H12O4 non-polymer 0.20 0.28 PIT PIU C16H21N2O2S1 non-polymer 0.00 0.00 PIU PIV C5H10O2 L-peptide linking 0.93 0.57 PIV PIW C9H8N2 non-polymer 0.00 0.00 PIW PIX C19F3H19N2O3 non-polymer 0.00 0.00 PIX PIY C9H8N2 non-polymer 0.00 0.00 PIY PIZ C41H82O22P4 non-polymer 1.00 0.39 PIZ PJ2 C20H30O4 non-polymer 0.38 0.25 PJ2 PJ7 C5H5N1O3 non-polymer 0.00 0.00 PJ7 PJA C18H14O8 non-polymer 0.00 0.00 PJA PJC C22F3H16N5O3 non-polymer 0.00 0.00 PJC PJE C9H14N2O3 peptide-like 0.50 0.57 PJE PJJ C19H23N1O3 peptide-like 0.00 0.00 PJJ PJL C6H7N1O4 non-polymer 0.58 1.00 PJL PJZ C30H48O4 non-polymer 0.83 0.65 PJZ PK0 C19F3H14N3O3 non-polymer 1.00 0.39 PK0 PK1 C17Cl2H14N2O2S1 non-polymer 0.00 0.00 PK1 PK2 C19H27N7O1 non-polymer 0.00 0.00 PK2 PK3 C12H14N6O2 non-polymer 0.00 0.00 PK3 PK6 C5H7N1O2S2 non-polymer 0.00 0.00 PK6 PK9 C17H27N3O3 non-polymer 0.56 0.22 PK9 PKA C21Cl1H21N2O1 non-polymer 0.50 0.32 PKA PKC C10H16N2O1 peptide-like 0.00 0.00 PKC PKF C36H52N6O9P1 non-polymer 0.56 0.13 PKF PKJ C20H16N4O3S2 non-polymer 0.00 0.00 PKJ PKL C21Cl1H18N3O1S1 non-polymer 0.00 0.00 PKL PKR C6H11N1O2 peptide-like 0.00 0.00 PKR PKT C25H32N4O3S1 non-polymer 0.56 0.15 PKT PKU Br1C6H7N2O1 non-polymer 0.50 0.40 PKU PKZ C37H66N7O17P3S1 non-polymer 1.00 0.35 PKZ PL0 C7H9N3 non-polymer 0.00 0.00 PL0 PL1 C48Co1H68N17O12S2 non-polymer 0.45 0.19 PL1 PL2 C13H24N5O5P1 non-polymer 0.00 0.00 PL2 PL3 C16H34O1 non-polymer 0.00 0.00 PL3 PL4 C15H24N3O9P1 non-polymer 0.56 0.46 PL4 PL5 C15H22N3O9P1 non-polymer 0.56 0.46 PL5 PL6 C13H17N2O9P1 non-polymer 0.68 0.40 PL6 PL7 C16H18N2O9 non-polymer 0.93 0.78 PL7 PL8 C16H22N3O7P1 non-polymer 0.00 0.00 PL8 PL9 C53H80O2 non-polymer 0.38 0.78 PL9 PLA C13H19N2O9P1 non-polymer 0.93 0.40 PLA PLB C18Cl2H11N3O4 non-polymer 0.00 0.00 PLB PLC C32H65N1O8P1 non-polymer 0.98 0.52 PLC PLD C50H101N1O8P1 non-polymer 0.98 0.37 PLD PLE C5H14N1O3P1 peptide-like 0.00 0.00 PLE PLF C9H14N4O2 peptide-like 0.64 0.40 PLF PLG C10H15N2O7P1 non-polymer 0.00 0.00 PLG PLH C18H27N3O4 non-polymer 0.00 0.00 PLH PLI C11H15N2O7P1 non-polymer 0.93 0.33 PLI PLJ C6H11N1O2 L-peptide linking 0.56 0.78 PLJ PLK C15H25N2O7P1 non-polymer 0.00 0.00 PLK PLL C3H5Pd1 non-polymer 0.00 0.00 PLL PLM C16H32O2 non-polymer 0.00 0.00 PLM PLO C21H32O2 non-polymer 0.00 0.00 PLO PLP C8H10N1O6P1 non-polymer 1.00 0.75 PLP PLQ C6H4O2 non-polymer 0.00 0.00 PLQ PLR C8H12N1O5P1 non-polymer 0.00 0.00 PLR PLS C11H17N2O8P1 non-polymer 0.84 0.32 PLS PLT C19H20N3O7P1 non-polymer 0.41 0.27 PLT PLU C5H14N1O3P1 non-polymer 0.00 0.00 PLU PLV C12H19N2O8P1 non-polymer 0.83 0.30 PLV PLW C10H18N4O2 peptide-like 0.64 0.38 PLW PLX C42H89N1O8P1 non-polymer 0.98 0.42 PLX PLY C16H32O1 non-polymer 0.00 0.00 PLY PLZ C12H19N2O7P1 non-polymer 0.00 0.00 PLZ PM0 C53H72O24 non-polymer 1.00 0.66 PM0 PM1 C21F2H13N3O2 non-polymer 0.00 0.00 PM1 PM2 C26H29N3O1 non-polymer 0.00 0.00 PM2 PM3 C10H14N1O5P1 L-peptide linking 0.00 0.00 PM3 PM4 C17H33N2O7P1S1 non-polymer 0.62 0.36 PM4 PM5 C18H35N2O7P1S1 non-polymer 0.62 0.34 PM5 PM6 C5H4N4S1 non-polymer 0.00 0.00 PM6 PM7 C21H25N3O1 non-polymer 0.00 0.00 PM7 PM8 C21H41N2O7P1S1 non-polymer 0.62 0.31 PM8 PM9 C13H19N2O7P1S1 non-polymer 0.93 0.33 PM9 PMA C10H6O8 non-polymer 0.00 0.00 PMA PMB C6H5Hg1O3S1 non-polymer 0.00 0.00 PMB PMC C7H8N1O5P1 non-polymer 0.00 0.00 PMC PMD C21H17N7 non-polymer 0.00 0.00 PMD PME C14H18N2O5 non-polymer 0.56 0.76 PME PMG C14H21N2O9P1 non-polymer 0.93 0.42 PMG PMH C11H14N3O7P1 non-polymer 0.00 0.00 PMH PMI C9H12N1O3P1 non-polymer 0.00 0.00 PMI PMJ C23H32N8O4S1 peptide-like 0.00 0.00 PMJ PMK C32H67O4P1 non-polymer 0.00 0.00 PMK PML C7H12O4 non-polymer 0.00 0.00 PML PMM C7H8N5O5P1 non-polymer 0.00 0.00 PMM PMN C24H27N1O7 non-polymer 0.00 0.00 PMN PMO C13H17N2O8P1 non-polymer 1.00 0.42 PMO PMP C8H13N2O5P1 non-polymer 0.00 0.00 PMP PMQ C8H9N1O2 non-polymer 0.00 0.00 PMQ PMR C35H32Mg1N4O5 non-polymer 0.40 0.20 PMR PMS C7H8O3S1 non-polymer 0.00 0.00 PMS PMT C18H30N4O15P2 RNA linking 1.00 0.67 PMT PMU C17H22N4O3 non-polymer 0.00 0.00 PMU PMV C6H13O7P1 non-polymer 0.79 0.71 PMV PMX C14Cl1H14N1O6 non-polymer 0.97 0.68 PMX PMY C48H67N17O10S2 non-polymer 0.45 0.19 PMY PMZ C19H22N2O1S1 non-polymer 0.62 0.13 PMZ PN0 C18H21N3O5S2 non-polymer 0.00 0.00 PN0 PN1 C16H19N3O4S1 non-polymer 0.00 0.00 PN1 PN2 C14H26N3O8P1S1 non-polymer 0.62 0.52 PN2 PN3 C15H22N2O4 non-polymer 0.56 0.71 PN3 PN4 C14H28N2O4 peptide-like 0.65 0.50 PN4 PN5 C16H30N2O5S1 non-polymer 0.90 0.67 PN5 PN6 C19H20N4O2 non-polymer 0.38 0.08 PN6 PN7 C11H23N2O7P1S1 non-polymer 0.62 0.45 PN7 PNA C12H15N1O8 D-saccharide 1.00 0.57 PNA PNB C13H17N2O8P1 non-polymer 0.00 0.00 PNB PNC C14H17N3O6 non-polymer 0.00 0.00 PNC PND C6H7N3O2 non-polymer 0.00 0.00 PND PNE C13H17N2O8P1 non-polymer 0.64 0.25 PNE PNF C16H23N2O8P1 non-polymer 0.00 0.00 PNF PNG C12H15N1O8 D-saccharide 1.00 0.57 PNG PNH C5H10O1 non-polymer 0.00 0.00 PNH PNI C44H36N8Ni1 non-polymer 0.00 0.00 PNI PNJ C12H17N2O7 non-polymer 1.00 0.57 PNJ PNK C16H20N2O5S1 non-polymer 0.00 0.00 PNK PNL C3H6O1 non-polymer 0.67 1.00 PNL PNM C16H20N2O4S1 non-polymer 0.00 0.00 PNM PNN C16H18N2O4S1 non-polymer 0.00 0.00 PNN PNO C1H6N1O2P1 non-polymer 0.00 0.00 PNO PNP C7H8N1O5P1 non-polymer 0.00 0.00 PNP PNQ Be1C8F3H11N2O9P2 non-polymer 0.00 0.00 PNQ PNR C22H35N1O4 non-polymer 0.00 0.00 PNR PNS C11H23N2O7P1S1 non-polymer 0.62 0.45 PNS PNT C19H24N4O2 non-polymer 0.00 0.00 PNT PNU C13Cl1H11N4O1S1 non-polymer 0.00 0.00 PNU PNV C16H18N2O5S1 non-polymer 0.00 0.00 PNV PNW C12H15N1O8 D-saccharide 1.00 0.57 PNW PNX C13H18N4O3 non-polymer 0.00 0.00 PNX PNY C11H22N2O4S1 non-polymer 0.65 0.56 PNY PNZ C7H8N2O2 L-peptide COOH carboxy terminus 0.00 0.00 PNZ PO0 C10H15N1 non-polymer 0.00 0.00 PO0 PO1 C19H28N2O7S2 non-polymer 0.00 0.00 PO1 PO2 O2P1 non-polymer 0.00 0.00 PO2 PO3 O3P1 non-polymer 0.00 0.00 PO3 PO4 O4P1 non-polymer 0.00 0.00 PO4 PO5 C25H30N8O3 non-polymer 0.61 0.19 PO5 PO6 C8H9N1O2 non-polymer 0.00 0.00 PO6 PO7 C19F2H18N4O2 non-polymer 0.38 0.07 PO7 POA C2H5O4P1 non-polymer 0.00 0.00 POA POB C6H15N1O8P2 non-polymer 0.81 0.65 POB POC C5H15N1O4P1 non-polymer 0.50 0.45 POC POD C22H22O8 non-polymer 0.00 0.00 POD POF C24H27N3O5S1 non-polymer 0.00 0.00 POF POG C21H44O8 non-polymer 0.83 1.00 POG POH C44H38N8 non-polymer 0.00 0.00 POH POI C15H24N3O8P1 non-polymer 0.58 0.37 POI POL C3H8O1 non-polymer 0.50 1.00 POL POM C6H9N1O3 L-peptide linking 0.00 0.00 POM PON H3N1O6P2 non-polymer 0.00 0.00 PON POO C31H39N3O3 non-polymer 0.00 0.00 POO POP H2O7P2 non-polymer 0.00 0.00 POP POQ C16H33O20P3 non-polymer 1.00 0.64 POQ POR C20Fe1H12N4 non-polymer 0.00 0.00 POR POS C27H32N4O6S1 non-polymer 0.00 0.00 POS POT C11Cl1H16O3P1 non-polymer 0.75 0.38 POT POU C27H48O11 non-polymer 1.00 0.71 POU POV C42H82N1O8P1 non-polymer 0.98 0.54 POV POX C22F1H22N7O2 non-polymer 0.75 0.16 POX POY C15H22N4O3 non-polymer 0.00 0.00 POY POZ C37F2H42N8O4 non-polymer 0.00 0.00 POZ PP0 C23H31N3O3 non-polymer 0.75 0.17 PP0 PP1 C16H19N5 non-polymer 0.39 0.24 PP1 PP2 C15Cl1H17N5 non-polymer 0.39 0.24 PP2 PP3 C11H17N2O7P1 non-polymer 0.64 0.29 PP3 PP4 C28H32N2O7P1 non-polymer 0.75 0.58 PP4 PP5 C28H32N2O7P1 non-polymer 0.75 0.18 PP5 PP6 C29H32N2O7P1 non-polymer 0.75 0.18 PP6 PP7 C30H47N4O9P1 non-polymer 0.75 0.16 PP7 PP8 C29H47N4O9P1 non-polymer 0.75 0.16 PP8 PP9 C34H34N4O4 non-polymer 0.38 0.10 PP9 PPB B1C23H27N4O4 non-polymer 0.00 0.00 PPB PPC C6H15O13P3 non-polymer 1.00 0.45 PPC PPD C12H17N2O9P1 non-polymer 0.86 0.38 PPD PPE C13H20N2O9P1 non-polymer 0.68 0.40 PPE PPF C1H3O5P1 non-polymer 0.00 0.00 PPF PPG C14H20N3O8P1 non-polymer 0.93 0.42 PPG PPH C8H12N1O3P1 peptide-like 0.00 0.00 PPH PPI C3H6O2 non-polymer 0.83 1.00 PPI PPJ C13H19N2O8P1 non-polymer 0.68 0.38 PPJ PPK H6N1O9P3 non-polymer 0.00 0.00 PPK PPL C10H20N2O1 non-polymer 0.39 0.38 PPL PPM C1H5O3P1 non-polymer 0.00 0.00 PPM PPN C9H10N2O4 L-peptide linking 0.00 0.00 PPN PPO C5H4N4O1 non-polymer 0.00 0.00 PPO PPP C9H12O2 non-polymer 0.00 0.00 PPP PPQ C5H12N1O4P1 non-polymer 0.00 0.00 PPQ PPR C3H5O6P1 non-polymer 0.95 0.60 PPR PPS C10H15N5O13P2S1 non-polymer 1.00 0.32 PPS PPT C10H12O2 non-polymer 0.00 0.00 PPT PPU C22H30N7O8P1 RNA linking 1.00 0.26 PPU PPV H4O7P2 non-polymer 0.00 0.00 PPV PPW C10H14N5O7P1 DNA linking 1.00 0.39 PPW PPX C21H27N5O2 peptide-like 0.00 0.00 PPX PPY C9H8O3 non-polymer 0.56 0.58 PPY PPZ C11H11N5O1 non-polymer 0.00 0.00 PPZ PQ0 C7H5N5O1 non-polymer 0.00 0.00 PQ0 PQ1 C12H18N5O8P1 RNA linking 1.00 0.38 PQ1 PQ3 C34H26N6O2 non-polymer 0.00 0.00 PQ3 PQ7 C34H42N4 non-polymer 0.20 0.08 PQ7 PQ9 C43H64O2 non-polymer 0.38 0.73 PQ9 PQA C21F1H21N4O2 non-polymer 0.00 0.00 PQA PQB C19F1H18N3O4 non-polymer 0.98 0.22 PQB PQC C22H16N4O2S2 non-polymer 0.00 0.00 PQC PQD C17H16N6 non-polymer 0.00 0.00 PQD PQE C29H60O8 non-polymer 0.88 0.76 PQE PQN C31H46O2 non-polymer 0.38 0.06 PQN PQQ C14H6N2O8 non-polymer 0.00 0.00 PQQ PQR C7H8N2O3 non-polymer 0.00 0.00 PQR PQW C27H27N5O2S2 non-polymer 0.00 0.00 PQW PR Pr1 non-polymer 0.00 0.00 PR PR0 C10H15N1O1 peptide-like 0.00 0.00 PR0 PR1 C19H19N5O4S2 non-polymer 0.00 0.00 PR1 PR2 C19H17N5O3S2 non-polymer 0.00 0.00 PR2 PR3 C6H13N1O1S2 L-peptide linking 0.00 0.00 PR3 PR4 C8H13N1O5 L-peptide linking 0.00 0.00 PR4 PR5 C10H13N4O7P1 RNA linking 1.00 0.45 PR5 PR6 C3Cl1H3O3 non-polymer 0.00 0.00 PR6 PR7 C8H13N1O5 L-peptide linking 0.00 0.00 PR7 PR8 C15H21N6O8P1 non-polymer 1.00 0.57 PR8 PR9 C5H10N2O1 D-peptide linking 0.00 0.00 PR9 PRA C9H14N1 non-polymer 0.00 0.00 PRA PRB C22H30O7 non-polymer 1.00 0.62 PRB PRC C22H18N6O1 non-polymer 0.00 0.00 PRC PRD C17H20N6O2 non-polymer 0.00 0.00 PRD PRE C10H10O6 non-polymer 0.56 0.44 PRE PRF C7H9N5O1 non-polymer 0.00 0.00 PRF PRH C10H15N4O5 non-polymer 1.00 0.53 PRH PRI C5H9N1O1 non-polymer 0.00 0.00 PRI PRJ C9H15N1O3 L-peptide linking 0.00 0.00 PRJ PRK C9H18N2O3 L-peptide linking 0.00 0.00 PRK PRL C13H11N3 non-polymer 0.00 0.00 PRL PRM C27H34N4 non-polymer 0.29 0.19 PRM PRN C10H13N4O6P1 DNA linking 1.00 0.43 PRN PRO C5H9N1O2 L-peptide linking 0.00 0.00 PRO PRO_LEO2 C5H7N1O2 NA 0.00 0.00 PRO_LEO2 PRO_LEO2H C5H8N1O2 NA 0.00 0.00 PRO_LEO2H PRO_LFOH C5H9N1O2 NA 0.00 0.00 PRO_LFOH PRO_LFZW C5H9N1O2 NA 0.00 0.00 PRO_LFZW PRO_LL C5H7N1O1 NA 0.00 0.00 PRO_LL PRO_LSN3 C5H9N1O1 NA 0.00 0.00 PRO_LSN3 PRP C5H13O14P3 saccharide 1.00 0.45 PRP PRQ C9H10N2O4 L-peptide linking 0.00 0.00 PRQ PRR C9H13N2O2 L-peptide linking 0.00 0.00 PRR PRS C4H7N1O2S1 L-peptide linking 0.00 0.00 PRS PRT C15H25N5O20P4 non-polymer 1.00 0.45 PRT PRU C12H18O8 non-polymer 0.60 0.35 PRU PRV C8H8N2O4 L-peptide linking 0.00 0.00 PRV PRW C4H9N1O4 non-polymer 0.88 1.00 PRW PRX C13H20N5O7P1 non-polymer 1.00 0.58 PRX PRY C9H13N1 non-polymer 0.00 0.00 PRY PRZ C9H14N2O1 non-polymer 0.00 0.00 PRZ PS0 C10H15N1O1 peptide-like 0.00 0.00 PS0 PS1 C26H49N1O10P1 non-polymer 0.98 0.58 PS1 PS2 Br2C40H76N1O10P1 non-polymer 0.98 0.41 PS2 PS4 C23Cl1H28N3O4S1 non-polymer 0.00 0.00 PS4 PS5 S5 non-polymer 0.00 0.00 PS5 PS6 C26H50N1O10P1 non-polymer 0.98 0.58 PS6 PS7 C30H52O7P2 non-polymer 0.38 0.62 PS7 PS8 C21Cl2H24N6O2S1 non-polymer 0.00 0.00 PS8 PS9 S8 non-polymer 0.00 0.00 PS9 PSA C11H15N1O3 peptide-like 0.00 0.00 PSA PSB C25H21N7O3S1 non-polymer 0.00 0.00 PSB PSC C42H81N1O8P1 non-polymer 0.98 0.60 PSC PSD C15H22N7O7P1 non-polymer 1.00 0.33 PSD PSE C3H10N1O5P1 non-polymer 0.71 0.60 PSE PSF C18H34N1O10P1 non-polymer 0.98 0.73 PSF PSG C12H15N1O7S1 non-polymer 1.00 0.52 PSG PSH C6H10N3O4P1S1 L-peptide linking 0.00 0.00 PSH PSI C29H47N5O7 peptide-like 0.55 0.37 PSI PSJ C6H12O6 D-saccharide 1.00 1.00 PSJ PSK C7H15O4P1 non-polymer 0.00 0.00 PSK PSL O7S2 non-polymer 0.00 0.00 PSL PSM C20H33N5O5S2 peptide-like 0.00 0.00 PSM PSN C14H13O5P1 non-polymer 0.00 0.00 PSN PSO C15H14O4 non-polymer 0.00 0.00 PSO PSP C15H18N4O2 non-polymer 0.00 0.00 PSP PSQ C5H15N4O6P1S1 non-polymer 0.00 0.00 PSQ PSR C15H29N2O8P1S1 non-polymer 0.62 0.37 PSR PSS C17H24N2O3 peptide-like 0.00 0.00 PSS PST C10H15N2O7P1S1 DNA linking 1.00 0.81 PST PSU C9H13N2O9P1 RNA linking 1.00 0.81 PSU PSV C6H12O6 D-saccharide 1.00 1.00 PSV PSW C3H7N1O2S1Se1 L-peptide linking 0.00 0.00 PSW PSX C7H17O5P1 non-polymer 0.00 0.00 PSX PSY C8H8O3S1 non-polymer 0.00 0.00 PSY PSZ C13H15N2O7P1S1 non-polymer 0.00 0.00 PSZ PT Pt1 non-polymer 0.00 0.00 PT PT0 C9H20N1O4P1 peptide-like 0.69 0.40 PT0 PT1 C14H12N6O3 non-polymer 0.00 0.00 PT1 PT2 C14H14N4Pt1 non-polymer 0.00 0.00 PT2 PT3 C7H13N1O5 non-polymer 0.88 1.00 PT3 PT4 Pt1 non-polymer 0.00 0.00 PT4 PT5 C47H85O19P3 non-polymer 1.00 0.58 PT5 PT6 C19H20N2O2S1 non-polymer 0.00 0.00 PT6 PT7 C29Cl1H23N1P1Pt1 non-polymer 0.00 0.00 PT7 PT9 C20H16N6Pt1 non-polymer 0.00 0.00 PT9 PTA C7H16N1O4P1 peptide-like 0.00 0.00 PTA PTB C11H17N3O2 non-polymer 0.38 0.12 PTB PTC C12H14N1O7P1 non-polymer 0.00 0.00 PTC PTD C5H8O2 non-polymer 0.00 0.00 PTD PTE C20H29Mg1N10O14P2S4W1 non-polymer 1.00 0.38 PTE PTF C8H10S1 non-polymer 0.00 0.00 PTF PTG C20H28O3 non-polymer 0.38 0.48 PTG PTH C10H14N1O7P1 L-peptide linking 0.00 0.00 PTH PTI C28H32N2O2 non-polymer 0.00 0.00 PTI PTJ C16H25N5O13P2 non-polymer 1.00 0.58 PTJ PTK C16H10O12S4 non-polymer 0.00 0.00 PTK PTL C5H10O1 non-polymer 0.00 0.00 PTL PTM C10H14N1O6P1 L-peptide linking 0.93 0.44 PTM PTN H9N3Pt1 non-polymer 0.00 0.00 PTN PTO C8H15N1O1 non-polymer 0.00 0.00 PTO PTP C10H16N2O11P2 non-polymer 1.00 0.68 PTP PTQ C14H20O5S1 D-saccharide 1.00 0.55 PTQ PTR C9H12N1O6P1 L-peptide linking 0.00 0.00 PTR PTS C8H12N2O4S3 non-polymer 0.00 0.00 PTS PTT C21H25Mg1N10O13P2S4W1 non-polymer 0.00 0.00 PTT PTU C9H12N2S1 non-polymer 0.00 0.00 PTU PTV C13H10N4O1S2 non-polymer 0.00 0.00 PTV PTW C6H12N3P1 non-polymer 0.00 0.00 PTW PTX C7H11N4O5P1S1 non-polymer 0.50 0.39 PTX PTY C40H80N1O8P1 non-polymer 0.98 0.38 PTY PU C22H30N7O8P1 RNA linking 1.00 0.26 PU PU0 C18F1H22N5O2 non-polymer 0.00 0.00 PU0 PU1 C20Cl1F1H21N5O3 non-polymer 0.00 0.00 PU1 PU2 C14F1H14N5O2 non-polymer 0.00 0.00 PU2 PU3 C19H25N5O3 non-polymer 0.00 0.00 PU3 PU4 C17H21N5O1 non-polymer 0.00 0.00 PU4 PU5 C17H21N5O1 non-polymer 0.00 0.00 PU5 PU6 C17H19N5O2 non-polymer 0.00 0.00 PU6 PU7 C18H23N5O2 non-polymer 0.00 0.00 PU7 PU8 C19Cl1H24N5O3 non-polymer 0.00 0.00 PU8 PU9 C20Cl1H22N5O3 non-polymer 0.00 0.00 PU9 PUA C19H27N7O20P4 non-polymer 1.00 0.38 PUA PUB C33H42N4O6 non-polymer 0.00 0.00 PUB PUC C21H34O4 non-polymer 0.46 0.52 PUC PUD C6H12O5 non-polymer 0.98 1.00 PUD PUF C6H12O5 non-polymer 1.00 1.00 PUF PUG C10H14N4O7 non-polymer 0.97 0.48 PUG PUK C18H22N2O2 peptide-like 0.00 0.00 PUK PUL C47H66O13 non-polymer 1.00 0.47 PUL PUM C17H26N8O9 non-polymer 1.00 0.32 PUM PUN C16H34 non-polymer 0.38 0.56 PUN PUP C14H22N2O15P2 non-polymer 1.00 0.58 PUP PUR C10H13N4O4 non-polymer 1.00 0.56 PUR PUS C12H17N4O9P1 non-polymer 0.83 0.27 PUS PUT C4H12N2 non-polymer 0.00 0.00 PUT PUW C6H15N2O4P1 non-polymer 0.00 0.00 PUW PUX C17F1H18N5O2 non-polymer 0.00 0.00 PUX PUY C22H29N7O5 RNA linking 1.00 0.29 PUY PUZ C19F1H20N5O2 non-polymer 0.00 0.00 PUZ PV0 C14H13N1O6S1 non-polymer 0.00 0.00 PV0 PV1 Br1C15H12N1O3 non-polymer 0.00 0.00 PV1 PV2 C14H13N1O4S1 non-polymer 0.00 0.00 PV2 PV4 C15H16O2 non-polymer 0.00 0.00 PV4 PV8 C14H13N1O5S1 non-polymer 0.00 0.00 PV8 PVA C4H12N1O3P1 non-polymer 0.00 0.00 PVA PVB C20Cl1H25N6O3 non-polymer 0.50 0.37 PVB PVC C22H40O8 non-polymer 1.00 0.57 PVC PVE C17H18N3O7 non-polymer 0.00 0.00 PVE PVG C33H40N4O6 non-polymer 0.00 0.00 PVG PVH C7H12N3O2 L-peptide linking 0.56 0.58 PVH PVL C3H4O2 L-peptide linking 0.67 1.00 PVL PVN C33H40N4O6 non-polymer 0.00 0.00 PVN PVO C3H6O4 L-peptide linking 0.97 1.00 PVO PVP C16Cl1H20N5O1 non-polymer 0.00 0.00 PVP PVS C8H8O2S1 non-polymer 0.00 0.00 PVS PVW C8H10N4O2S1 non-polymer 0.50 0.33 PVW PVX C27H26N5O15P1 DNA linking 1.00 0.58 PVX PVZ C14H29N2O7P2 non-polymer 0.00 0.00 PVZ PW1 C13F2H12N1O1 non-polymer 0.00 0.00 PW1 PW3 C6H10N2O2 non-polymer 0.00 0.00 PW3 PWF C18H18O4 non-polymer 0.50 0.36 PWF PWH C14H16O4 non-polymer 0.62 0.56 PWH PWK C20H26O4 non-polymer 0.00 0.00 PWK PWU C26H27N7O2 non-polymer 0.58 0.11 PWU PWY C13H12O3 non-polymer 0.00 0.00 PWY PWZ C21H34O4 non-polymer 0.46 0.52 PWZ PX1 C16H13N3O4 non-polymer 0.00 0.00 PX1 PX2 C27H52O8P1 non-polymer 0.98 0.39 PX2 PX3 C28H28N2O6 non-polymer 0.36 0.11 PX3 PX4 C36H73N1O8P1 non-polymer 0.98 0.48 PX4 PX5 C13H9N1O2S1 non-polymer 0.00 0.00 PX5 PX6 C35H68O8P1 non-polymer 0.98 0.32 PX6 PX8 C39H76O8P1 non-polymer 0.98 0.29 PX8 PX9 C17H27N1O3 non-polymer 0.00 0.00 PX9 PXA C15H11N3O4 non-polymer 0.00 0.00 PXA PXB C19H18N2O4S1 non-polymer 0.00 0.00 PXB PXC C14H8N2O4 non-polymer 0.00 0.00 PXC PXD C16F5H14N5O5S1 non-polymer 0.00 0.00 PXD PXE C10H13N1O2 non-polymer 0.00 0.00 PXE PXF C16F1H11N2O4 non-polymer 0.00 0.00 PXF PXG C15H17N2O7P1 non-polymer 0.00 0.00 PXG PXH C15H21N1O4S2 non-polymer 0.00 0.00 PXH PXI C25H43N1O6 non-polymer 1.00 0.31 PXI PXJ C20H24N2O6 non-polymer 0.00 0.00 PXJ PXK C12H14N2S1 non-polymer 0.38 0.13 PXK PXL C8H9N1O3 non-polymer 1.00 1.00 PXL PXM C8H12N2O2 non-polymer 0.00 0.00 PXM PXN C17H36O8 non-polymer 0.80 1.00 PXN PXO C3H7N1O1 non-polymer 0.00 0.00 PXO PXP C8H12N1O6P1 non-polymer 1.00 0.75 PXP PXS C35H68O4 non-polymer 0.83 0.33 PXS PXT C47H68O14 non-polymer 1.00 0.21 PXT PXU C5H9N1O3 L-peptide linking 0.00 0.00 PXU PXX C14H11N3O1 non-polymer 0.00 0.00 PXX PXY C8H10 non-polymer 0.00 0.00 PXY PXZ C16H12N2O4 non-polymer 0.00 0.00 PXZ PY0 C3H8N1O3 non-polymer 0.86 1.00 PY0 PY1 C17H12N4 non-polymer 0.00 0.00 PY1 PY2 C6H7N1S1 non-polymer 0.00 0.00 PY2 PY3 C34H40N10O4 non-polymer 0.50 0.23 PY3 PY4 C12H19N2O7P1 non-polymer 0.61 0.32 PY4 PY5 C13H21N2O7P1 non-polymer 0.00 0.00 PY5 PY6 C14H23N2O7P1 non-polymer 0.00 0.00 PY6 PY7 C6H7N1O1 non-polymer 0.00 0.00 PY7 PY8 Br1C13H14N5O2S1 non-polymer 0.00 0.00 PY8 PY9 C18H19N1O3 non-polymer 0.00 0.00 PY9 PYA C15H13N3O2 L-peptide linking 0.00 0.00 PYA PYB C6H8N2O2 non-polymer 0.00 0.00 PYB PYC C5H4N1O2 non-polymer 0.00 0.00 PYC PYD C6H9N3 non-polymer 0.00 0.00 PYD PYE C5H10O1 non-polymer 0.00 0.00 PYE PYF C6H7N1O1 non-polymer 0.00 0.00 PYF PYG C6H6O3 non-polymer 0.00 0.00 PYG PYH C12H21N3O3 L-peptide linking 0.00 0.00 PYH PYI C14H21N4O7P2 non-polymer 0.00 0.00 PYI PYJ C8H10 non-polymer 0.00 0.00 PYJ PYL C12H21N3O3 L-peptide linking 0.00 0.00 PYL PYM C3H5N1O2 non-polymer 0.62 1.00 PYM PYN C27H33N5O2 non-polymer 0.00 0.00 PYN PYO C9H13N2O8P1 RNA linking 1.00 0.50 PYO PYP C21H19O6P1 non-polymer 0.00 0.00 PYP PYQ C11H11N1O1 non-polymer 0.00 0.00 PYQ PYR C3H4O3 non-polymer 0.97 1.00 PYR PYS C5H5N1S1 non-polymer 0.00 0.00 PYS PYT C3H6N2O1 non-polymer 0.25 1.00 PYT PYU C11H9N1O4 non-polymer 0.00 0.00 PYU PYV Br1C16H13N2O2S1 non-polymer 0.00 0.00 PYV PYW C27H32N4O8 non-polymer 0.58 0.23 PYW PYX C11H17N3O3S2 L-peptide linking 0.00 0.00 PYX PYY C11H15O7P1 RNA linking 1.00 0.63 PYY PYZ C3H3I1N2 non-polymer 0.00 0.00 PYZ PZ1 C34H41N3O6 non-polymer 0.83 0.12 PZ1 PZ2 Br1C20H14N5O1 non-polymer 0.00 0.00 PZ2 PZ3 C41H39N5O7S1 non-polymer 0.00 0.00 PZ3 PZ5 C26H26N3 non-polymer 0.00 0.00 PZ5 PZA C5H5N3O1 non-polymer 0.00 0.00 PZA PZB C15H12N2O3 non-polymer 0.00 0.00 PZB PZD C24H22N2O3 non-polymer 0.00 0.00 PZD PZE C4H10N2 non-polymer 0.00 0.00 PZE PZF C20F3H18N5O1 non-polymer 0.00 0.00 PZF PZG C14H18N7O7P1 DNA linking 1.00 0.34 PZG PZH Br1C7H8N1 non-polymer 0.00 0.00 PZH PZI C6H10N2O2 non-polymer 0.00 0.00 PZI PZL Br1C19Cl1F1H10N5O1 non-polymer 0.00 0.00 PZL PZM C8H11N1O1 non-polymer 0.00 0.00 PZM PZN C28H44N7O6 non-polymer 0.50 0.37 PZN PZO C3H4N2 non-polymer 0.00 0.00 PZO PZP C8H11N2O5P1 non-polymer 0.00 0.00 PZP PZQ C19H24N2O2 non-polymer 0.00 0.00 PZQ PZR C6H5N3 non-polymer 0.00 0.00 PZR PZS C22H25N1O6 non-polymer 1.00 0.72 PZS PZU C6H12O4 D-saccharide 1.00 1.00 PZU PZW C15H19N5O2 non-polymer 0.00 0.00 PZW PZX C11H11N3O2 non-polymer 0.40 0.44 PZX PZZ C14H20N2O1 non-polymer 0.20 0.18 PZZ Q00 C19H24N2O2 peptide-like 0.00 0.00 Q00 Q02 C7H10N1O3P1 non-polymer 0.00 0.00 Q02 Q03 C7H16N1O3P1 non-polymer 0.00 0.00 Q03 Q04 C8H18N1O3P1 non-polymer 0.00 0.00 Q04 Q05 C22F1H24N3O1 non-polymer 0.00 0.00 Q05 Q06 C8H18N1O3P1 non-polymer 0.00 0.00 Q06 Q07 C6H16N1O3P1 non-polymer 0.00 0.00 Q07 Q08 C8H20N1O3P1 non-polymer 0.00 0.00 Q08 Q0B C22Cl1H22N5O2 non-polymer 0.58 0.30 Q0B Q0K C13H12N4O1 non-polymer 0.00 0.00 Q0K Q10 C16H21N3O2 non-polymer 0.00 0.00 Q10 Q11 C15H14N4O1 non-polymer 0.00 0.00 Q11 Q12 C17H18N4O2 non-polymer 0.00 0.00 Q12 Q13 C18H27N5O2 non-polymer 0.61 0.28 Q13 Q14 C18H27N5O2 non-polymer 0.44 0.44 Q14 Q15 C19H25N3O2 non-polymer 0.00 0.00 Q15 Q16 C19H27N5O2 non-polymer 0.36 0.35 Q16 Q17 C17H18N4O1 non-polymer 0.00 0.00 Q17 Q18 C24H24N2O3 non-polymer 0.21 0.31 Q18 Q19 C17H16N4O1 non-polymer 0.62 0.14 Q19 Q1A C23H23N5O2 non-polymer 0.38 0.07 Q1A Q1T C19H25N5 non-polymer 0.30 0.25 Q1T Q20 C18H18N4O2 non-polymer 0.00 0.00 Q20 Q21 C25H19N3O3 non-polymer 0.57 0.19 Q21 Q22 C21H19N7O1 non-polymer 0.00 0.00 Q22 Q23 C10H10O5S2 non-polymer 0.00 0.00 Q23 Q24 C8H8N4 non-polymer 0.00 0.00 Q24 Q26 C23H23N5O3S1 non-polymer 0.00 0.00 Q26 Q27 C21H20N4O1 non-polymer 0.00 0.00 Q27 Q28 C28H23N5O3 non-polymer 0.00 0.00 Q28 Q2N C16F1H12N3O1S1 non-polymer 0.00 0.00 Q2N Q2R C15H12O4 non-polymer 0.97 0.21 Q2R Q2S C15H11N1O2 non-polymer 0.00 0.00 Q2S Q2T C24H28N6O2 non-polymer 0.00 0.00 Q2T Q2Y C27H25N5O5S1 non-polymer 0.59 0.24 Q2Y Q31 C20H25N3O5 non-polymer 0.00 0.00 Q31 Q35 C33H35N3O9 non-polymer 0.81 0.16 Q35 Q3B C27H26N8O3S1 non-polymer 0.00 0.00 Q3B Q3C C10H7N1O2 non-polymer 0.00 0.00 Q3C Q42 C9H15N1O2 non-polymer 0.00 0.00 Q42 Q46 Fe4H1S5 non-polymer 0.00 0.00 Q46 Q4A C28H38N6O2 non-polymer 0.00 0.00 Q4A Q4G C13F1H9O2 non-polymer 0.00 0.00 Q4G Q4I C68H64N12O16S1 non-polymer 0.56 0.05 Q4I Q4Q C14H24N2O2S1 non-polymer 0.00 0.00 Q4Q Q50 C38H47N5O7 non-polymer 0.56 0.10 Q50 Q5F C14Cl1H14N1O2S1 non-polymer 0.57 0.32 Q5F Q67 C21Cl2H16N4O2 non-polymer 0.00 0.00 Q67 Q6F C15Cl2H14N2O3S1 non-polymer 0.00 0.00 Q6F Q6T C8H6O4 non-polymer 0.00 0.00 Q6T Q6W C31H30N6O2 non-polymer 0.00 0.00 Q6W Q6Y C26H33N7O2 non-polymer 0.00 0.00 Q6Y Q6Z C7H14O2 non-polymer 0.00 0.00 Q6Z Q72 C36H54N8O4S1 non-polymer 0.00 0.00 Q72 Q74 C17F3H10N3O2S1 non-polymer 0.00 0.00 Q74 Q7M C25F3H18N7O2 non-polymer 0.00 0.00 Q7M Q7U C15Cl1H13N4O1 non-polymer 0.00 0.00 Q7U Q80 C22Cl1F3H21N3O2S1 non-polymer 0.00 0.00 Q80 Q82 C36H38N4O4 non-polymer 0.00 0.00 Q82 Q86 C12H13N3O1 non-polymer 0.00 0.00 Q86 Q88 C5H6N6 non-polymer 0.00 0.00 Q88 Q8A C9H8N2 non-polymer 0.00 0.00 Q8A Q92 C16H11N1O2 non-polymer 0.00 0.00 Q92 Q97 C24H24O3 non-polymer 0.00 0.07 Q97 Q9C C9H21N3O1 non-polymer 0.00 0.00 Q9C Q9G C17F1H17N4 non-polymer 0.00 0.00 Q9G Q9P C12Cl1H9N4O1 non-polymer 0.00 0.00 Q9P Q9T Br2C10F3H4N1O2 non-polymer 0.00 0.00 Q9T Q9Y C9H16N4O2 non-polymer 0.50 0.27 Q9Y Q9Z C7H13N3O1 non-polymer 0.00 0.00 Q9Z QAB C9H11N1O2S1 non-polymer 0.00 0.00 QAB QAC C11H13N1O4 L-peptide linking 0.61 0.50 QAC QAF C13H16N1O6P2 non-polymer 0.00 0.09 QAF QAP C17H16O4 non-polymer 0.50 0.38 QAP QAQ C18H14N8O1 non-polymer 0.00 0.00 QAQ QAR C14H13N9 non-polymer 0.00 0.00 QAR QAS C7H5N1O4S1 non-polymer 1.00 0.92 QAS QAT C7H5N1O4S1 non-polymer 1.00 0.92 QAT QAY C12H12N6O1 non-polymer 0.00 0.00 QAY QB4 C21F1H19N6O2 non-polymer 0.00 0.00 QB4 QBB C16F1H15N2O1 non-polymer 0.00 0.00 QBB QBH C29H40N2O6S1 non-polymer 0.00 0.00 QBH QBT C10H17N2O8P1 DNA linking 1.00 0.81 QBT QBY C23H24N2O3S1 non-polymer 0.00 0.00 QBY QC0 C25H25N5O3 non-polymer 0.00 0.00 QC0 QC1 C13F1H11N2O2 non-polymer 0.00 0.00 QC1 QC2 C15H11N3O3 non-polymer 0.00 0.00 QC2 QC5 C17F1H19N4 non-polymer 0.20 0.14 QC5 QCH C29H36N2O7 non-polymer 0.00 0.00 QCH QCL C16H20N2O2 non-polymer 0.00 0.00 QCL QCS C4H8N2O3S1 L-peptide linking 0.00 0.00 QCS QCT C21H20O11 non-polymer 1.00 0.34 QCT QCY C26H22N2O1S2 non-polymer 0.25 0.06 QCY QD0 C12H17N3O4 non-polymer 0.00 0.00 QD0 QDD C12H10N2O3 non-polymer 0.00 0.00 QDD QDK C5H10O5 L-saccharide 1.00 1.00 QDK QDM C18H31N3O14P2 non-polymer 1.00 0.76 QDM QDN C20H24N2O2 non-polymer 0.35 0.21 QDN QDO Br2C10H8N2O2 non-polymer 0.00 0.00 QDO QDR C12H12N6O1S1 non-polymer 0.00 0.00 QDR QDS C12H11N3O4 D-peptide linking 0.86 0.47 QDS QEB O4RE4 non-polymer 0.00 0.00 QEB QED C25H28N6O9 non-polymer 0.40 0.40 QED QEG C29H32N4O6S1 non-polymer 0.00 0.00 QEG QEH C26H55N1O7P1 non-polymer 1.00 0.51 QEH QEI C12H15N5O3 non-polymer 0.00 0.00 QEI QEJ C5H8N2 non-polymer 0.00 0.00 QEJ QEL C21H27N1O2 non-polymer 0.00 0.00 QEL QEM C22H29N1O2 non-polymer 0.00 0.00 QEM QFG C16H16N4O4 L-peptide linking 0.00 0.00 QFG QFH C5H10O4 non-polymer 0.98 1.00 QFH QFI C29H41N2O12P1S1 non-polymer 0.00 0.00 QFI QG8 C44H52N4O6 non-polymer 0.38 0.04 QG8 QG9 C43H51N5O6 non-polymer 0.38 0.04 QG9 QGA C17H33N1O7 non-polymer 0.97 0.60 QGA QGF C23Cl2F1H29N4O5S1 non-polymer 0.42 0.22 QGF QGG C15Cl1H16N5O4S1 non-polymer 0.00 0.00 QGG QH3 C8Cl2H8N2S1 non-polymer 0.00 0.00 QH3 QHA C32F1H41N4O9S1 non-polymer 1.00 0.28 QHA QHC C18Cl1F1H18N2O1 non-polymer 0.00 0.00 QHC QHF C23F1H34N5O5S1 non-polymer 0.42 0.23 QHF QHG C22H25N1O3 non-polymer 0.58 0.19 QHG QHL C39H21N13Ru1 non-polymer 0.00 0.00 QHL QI1 C18Cl2H20N2O2 non-polymer 0.00 0.00 QI1 QI2 C24F2H32N2O3 non-polymer 0.00 0.00 QI2 QI3 C17Cl2H16N2O5S1 non-polymer 0.00 0.00 QI3 QI9 C20H24N2O2 non-polymer 0.35 0.21 QI9 QIC C7H12O6 non-polymer 1.00 1.00 QIC QID C14H10N2O5S1 non-polymer 0.00 0.00 QID QIF C7H15O9P1 non-polymer 1.00 0.76 QIF QIG C21H16N6 non-polymer 0.00 0.00 QIG QIL C7H13N1O3 L-peptide linking 0.58 1.00 QIL QIN C24H37N5O3S2 non-polymer 1.00 0.32 QIN QIU C17H17N1O3 non-polymer 0.00 0.00 QIU QIV C9H8N2O2S1 non-polymer 0.00 0.00 QIV QIX C25H34N8O6 non-polymer 0.00 0.00 QIX QJ2 C17H24N4 non-polymer 0.00 0.00 QJ2 QJ4 C19H28N4 non-polymer 0.00 0.00 QJ4 QJ7 C21F1H23N4O1 non-polymer 0.00 0.00 QJ7 QJ8 C19H27N5O2 non-polymer 0.36 0.35 QJ8 QJ9 C26H25N5O2 non-polymer 0.00 0.00 QJ9 QJS C19F1H15N2O3 non-polymer 0.00 0.00 QJS QJZ C14H12N4O1S2 non-polymer 0.00 0.00 QJZ QK0 C20Cl1F1H14N4O3S2 non-polymer 0.00 0.00 QK0 QK5 C27H24N6S1 non-polymer 0.00 0.00 QK5 QKH C49H84O35 non-polymer 1.00 0.92 QKH QKU C14H12O3 non-polymer 0.00 0.00 QKU QKV Br1C13H16N1O3 non-polymer 0.00 0.00 QKV QL2 C14F2H10N6 non-polymer 0.00 0.00 QL2 QLE C22H37N1O5 non-polymer 0.61 0.25 QLE QLG C13H18N4O4 L-peptide linking 0.00 0.00 QLG QLI C10H11N1O5 non-polymer 0.95 0.38 QLI QLP C13H20N3O8P1 non-polymer 0.00 0.00 QLP QLR C19H24N4O3 non-polymer 0.00 0.08 QLR QLW C22H25N2 non-polymer 0.20 0.12 QLW QLZ C18H22N4O2 non-polymer 0.00 0.08 QLZ QMI Br1C12Cl2H12N3O2S1 non-polymer 0.00 0.00 QMI QMM C7H14N2O3 L-peptide linking 0.54 0.92 QMM QMN C27H24N4O4 non-polymer 0.75 0.14 QMN QMP C7H15O3P1 non-polymer 0.00 0.00 QMP QMQ C30H34N7 non-polymer 0.20 0.08 QMQ QMR C13H13N3 non-polymer 0.00 0.00 QMR QMS C10H10N2O2S1 non-polymer 0.00 0.00 QMS QN1 C34F6H31N5O6S2 non-polymer 0.00 0.00 QN1 QN2 C30H29I2N3O4S2 non-polymer 0.00 0.00 QN2 QN3 C30Cl2H29N3O4S2 non-polymer 0.00 0.00 QN3 QN7 C24F3H20N5O1 non-polymer 0.00 0.00 QN7 QNB C21H23N1O3 non-polymer 0.00 0.00 QNB QNC C10H7N1O2 non-polymer 0.00 0.00 QNC QND C10H7N1O2 non-polymer 0.00 0.00 QND QNI C14H20N6 non-polymer 0.00 0.00 QNI QNM C13H12N2O5 non-polymer 1.00 0.95 QNM QNO C18H25N1O2 non-polymer 0.00 0.00 QNO QNS C25Cl1H25N2O5 non-polymer 0.00 0.00 QNS QNZ C24H15N3O3 non-polymer 0.25 0.07 QNZ QO9 C24H43N3O8S1Si2 non-polymer 1.00 0.76 QO9 QOL C14H16N2O4 non-polymer 0.81 0.35 QOL QPA C6H12N1O8P1S1 L-peptide linking 0.97 0.76 QPA QPC C24H27N5O2 non-polymer 0.38 0.06 QPC QPH C10H11N1O3 L-peptide linking 0.50 0.64 QPH QPP C18H15N5 non-polymer 0.00 0.00 QPP QPR C11H11N1O1 non-polymer 0.62 0.23 QPR QPS C25H43N1O18 saccharide 1.00 0.75 QPS QPT C6H12N2O4Pt1 non-polymer 0.00 0.00 QPT QPU C19H35N1O12 non-polymer 1.00 1.00 QPU QQ1 C21H22N6S1 non-polymer 0.00 0.00 QQ1 QQ2 C24Cl1H27N6O2 non-polymer 0.61 0.21 QQ2 QQ3 C18H18N2O4 non-polymer 0.00 0.00 QQ3 QQ7 C42H42N28O14 non-polymer 0.00 0.00 QQ7 QQH C19H23N2O3S1 non-polymer 0.20 0.12 QQH QQQ C10H12N2O3S1 non-polymer 0.36 0.25 QQQ QQV C19H25N3O5S1 non-polymer 1.00 0.39 QQV QQX C10H12N5O5P1S1 non-polymer 1.00 0.45 QQX QQY C10H12N5O5P1S1 non-polymer 1.00 0.45 QQY QQZ B1C7H10N6O7P1S1 non-polymer 0.00 0.00 QQZ QRG C11H18N2O6S1 peptide-like 0.56 0.90 QRG QRL C7H14O1S1 non-polymer 0.00 0.00 QRL QRO C13F2H10N2O4 non-polymer 1.00 0.62 QRO QRP C16H17N3O2 non-polymer 0.00 0.00 QRP QRW C24F3H21N6O1 non-polymer 0.00 0.00 QRW QRX C24F2H23N7O1 non-polymer 0.00 0.00 QRX QS5 C26H28N2O5 non-polymer 0.00 0.00 QS5 QSC C8H11N1 non-polymer 0.00 0.00 QSC QSI C15H22N8O8S1 non-polymer 1.00 0.31 QSI QSN C12H10N6O6S1 non-polymer 0.00 0.00 QSN QSO C16H12O5 non-polymer 0.00 0.00 QSO QSP C16H27N4O13P3S1 non-polymer 0.00 0.00 QSP QTP C12H18N3O12P3 non-polymer 1.00 0.30 QTP QTR O1 non-polymer 0.00 0.00 QTR QUA C12H13N1O4 non-polymer 1.00 1.00 QUA QUB C13H12N2O1 non-polymer 0.62 0.25 QUB QUD C29H37N4O2 non-polymer 0.00 0.00 QUD QUE C15H10O7 non-polymer 0.00 0.00 QUE QUG C12H15N5O3 non-polymer 0.00 0.00 QUG QUH C20H33N3O16P2 non-polymer 1.00 0.83 QUH QUI C9H6N2O2 non-polymer 0.00 0.00 QUI QUJ C14H16N2O3 non-polymer 0.56 0.26 QUJ QUK C13H15N3O3 non-polymer 0.00 0.00 QUK QUL C21H24N4 non-polymer 0.00 0.00 QUL QUM C23Cl3H28N3O1 non-polymer 0.00 0.00 QUM QUN C23Cl1H30N3O1 non-polymer 0.00 0.00 QUN QUO C17H26N5O10P1 RNA linking 1.00 0.55 QUO QUP C18Cl1H14N5O1 non-polymer 0.00 0.00 QUP QUS C5H7N3O5 non-polymer 0.00 0.00 QUS QUV C61H107N3O9 non-polymer 1.00 0.29 QUV QUW C21F2H22N4O4 non-polymer 1.00 0.45 QUW QUX C51H101N1O8 non-polymer 1.00 0.35 QUX QUY C57H104N2O9 non-polymer 1.00 0.32 QUY QUZ C8H6N2 non-polymer 0.00 0.00 QUZ QV4 C31H53N1O23 D-saccharide 1,4 and 1,4 linking 1.00 0.82 QV4 QV6 C31H28N2O8S2 non-polymer 0.00 0.00 QV6 QV7 C22H16N4O13S4 non-polymer 0.00 0.00 QV7 QV8 C20H13N1O5S1 non-polymer 0.00 0.00 QV8 QVE C12H10N2O5 non-polymer 0.00 0.00 QVE QVR C12H15N5O3 non-polymer 1.00 0.50 QVR QVS C10H8N2O3 non-polymer 0.00 0.00 QVS QW9 C22H21N3O4 non-polymer 0.00 0.00 QW9 QWE C29H40N7O4S2 peptide-like 0.20 0.07 QWE QWI C20H24N6 non-polymer 0.00 0.00 QWI QWS C18H19N5O3 non-polymer 0.58 0.15 QWS QWV C59H107N1O9 non-polymer 1.00 0.23 QWV QX C9H6N2O2 non-polymer 0.00 0.00 QX QY9 C8H8O2 non-polymer 0.00 0.00 QY9 QYD C17H17N3O3S1 non-polymer 0.00 0.00 QYD QYT C12H7N3O2S1 non-polymer 0.00 0.00 QYT QZ3 C19H18N4O3S1 non-polymer 0.00 0.00 QZ3 QZE C24H16N4O3 non-polymer 0.00 0.00 QZE QZK C13H15N1O8P2S1 non-polymer 0.00 0.00 QZK QZN C17Cl1H24N3O1 non-polymer 0.00 0.00 QZN QZQ C30H46O3 non-polymer 0.38 0.09 QZQ QZZ C20H14N2O4 non-polymer 0.00 0.00 QZZ R C18H22N5O7P1 DNA linking 1.00 0.29 R R00 C19H24N2O3 peptide-like 0.00 0.00 R00 R01 Br1C24H22N1O1 non-polymer 0.43 0.19 R01 R02 Br1C24H26N1O2 non-polymer 0.36 0.14 R02 R03 Br1C24H30N3O1 non-polymer 0.43 0.17 R03 R04 Br1C22F1H23N3O1 non-polymer 0.62 0.36 R04 R07 C24F3H20N3O3S1 non-polymer 0.29 0.12 R07 R09 C28H25N3O3S1 non-polymer 0.00 0.00 R09 R0N C18F3H23N4O3S1 non-polymer 0.75 0.21 R0N R10 C5H11O9P1 non-polymer 1.00 0.73 R10 R11 C25H25N7 non-polymer 0.00 0.00 R11 R12 C20H24O3 non-polymer 0.50 0.39 R12 R13 C23H30O2 non-polymer 0.95 0.32 R13 R14 C43H47N11O2 non-polymer 0.00 0.00 R14 R15 C21Cl2H26N4O6S2 non-polymer 0.00 0.00 R15 R16 C16H34 non-polymer 0.00 0.00 R16 R17 Br1C22H22N1O2 non-polymer 0.62 0.38 R17 R18 C19H24O2 non-polymer 0.00 0.00 R18 R19 Br1C24H28N1O2 non-polymer 0.43 0.18 R19 R1A C12H21N2O3S2 L-peptide linking 0.00 0.00 R1A R1B C11H20N1O3S2 non-polymer 0.00 0.00 R1B R1C C38H26N6Rh1 non-polymer 0.00 0.00 R1C R1F C16H22N1O3S2 non-polymer 0.00 0.00 R1F R1P C5H11O8P1 saccharide 1.00 0.71 R1P R1S C15Cl1H9N2O2S3 non-polymer 0.00 0.00 R1S R1T C15H23N3O8P2S1 non-polymer 0.00 0.00 R1T R1X C5H10O4 D-saccharide 1.00 1.00 R1X R1Z C38H26N8Ru1 non-polymer 0.00 0.00 R1Z R20 C9H9N3 non-polymer 0.00 0.00 R20 R21 C16Cl1H17N2O4S1 non-polymer 0.00 0.00 R21 R22 C20H20I1N1O3S1 non-polymer 0.00 0.00 R22 R23 C26Cl1H33N2O2 non-polymer 0.00 0.00 R23 R24 C30H29N7O3 non-polymer 0.38 0.05 R24 R26 C18F3H11N4O2 non-polymer 0.00 0.00 R26 R29 B1C15H16N2O4 non-polymer 0.00 0.00 R29 R2B C5H8O4 D-saccharide 1.00 1.00 R2B R2C C20H17N1O4 non-polymer 0.00 0.00 R2C R2G C5H8O3 non-polymer 0.00 0.00 R2G R2N Br1C10H8N1O2 non-polymer 0.00 0.00 R2N R2P C5H7N3O3S1 D-peptide linking 0.00 0.00 R2P R2S C15Cl1H9N2O2S3 non-polymer 0.00 0.00 R2S R2T C5H10N2O5 L-peptide linking 0.83 1.00 R2T R2Z C16H29N6O7P1 non-polymer 0.50 0.23 R2Z R30 C22H21N5O2S1 non-polymer 0.00 0.00 R30 R31 C28H47N5O6 non-polymer 0.83 0.21 R31 R32 C26Cl1H42N5O4 non-polymer 0.38 0.06 R32 R33 C9H19N5O2 non-polymer 0.00 0.00 R33 R34 C24Cl1H19N4O3 non-polymer 0.00 0.00 R34 R35 C8H14O4 non-polymer 0.69 1.00 R35 R36 C32H41N3O4 non-polymer 0.44 0.44 R36 R37 C32H41N3O4 non-polymer 0.44 0.44 R37 R38 C15H18N2O3S1 non-polymer 0.00 0.00 R38 R39 C27H35N5O3 non-polymer 0.38 0.06 R39 R3G C43H57N5O11 non-polymer 1.00 0.41 R3G R3M C43H57N5O11 non-polymer 1.00 0.41 R3M R3S C14H12O6S1 non-polymer 0.20 0.24 R3S R3W C2Cl1H3O2 non-polymer 0.00 0.00 R3W R3X C20H20O9 non-polymer 1.00 0.45 R3X R3Z C15H12N2O5S1 non-polymer 0.00 0.00 R3Z R40 C14H20N4O4 non-polymer 0.47 0.64 R40 R45 Br1C29H32N4O10P1 peptide-like 0.00 0.00 R45 R46 Br1C23H27N2O1S1 non-polymer 0.43 0.18 R46 R47 Br1C35Cl1H35N4O10P1 peptide-like 0.00 0.00 R47 R48 C29H30N8O1 non-polymer 0.38 0.05 R48 R49 C30H31N7O1 non-polymer 0.38 0.05 R49 R4A C44H61N7O1Ru1 non-polymer 0.20 0.06 R4A R4B Br1C31Cl1H31N4O6P1 peptide-like 0.00 0.00 R4B R4C Br1C25H28N4O6P1 peptide-like 0.00 0.00 R4C R4E C14H18N2O1 non-polymer 0.00 0.00 R4E R4G C20H20O9 non-polymer 1.00 0.45 R4G R4K C11H12N2O5 L-peptide linking 0.00 0.00 R4K R4L C35H44N8O3 non-polymer 0.00 0.00 R4L R4M C21H26O2 non-polymer 0.55 0.39 R4M R4N C25Cl1H21N2O4S1 non-polymer 0.00 0.00 R4N R51 C5H11O8P1 non-polymer 1.00 0.71 R51 R52 C5H11O8P1 non-polymer 1.00 0.71 R52 R55 C33H39N5O4 non-polymer 0.00 0.00 R55 R56 C19H28N6O4S2 non-polymer 0.00 0.00 R56 R57 C18F4H13N3O3 non-polymer 0.00 0.00 R57 R58 C19F3H16N3O3 non-polymer 0.00 0.00 R58 R59 C15H18N2O3S1 non-polymer 0.00 0.00 R59 R5A C45H61N7O1Ru1 non-polymer 0.20 0.06 R5A R5B C45H61N7O1Ru1 non-polymer 0.20 0.06 R5B R5I C15H22N4O15P2 non-polymer 1.00 0.64 R5I R5P C5H11O8P1 saccharide 1.00 0.71 R5P R5T C16H20N4O4 non-polymer 0.56 0.21 R5T R5V C16H20N4O3 non-polymer 0.38 0.09 R5V R5X C18H17N5O3 non-polymer 0.25 0.38 R5X R64 C23H24N4O3 non-polymer 0.00 0.00 R64 R68 C33F1H38N5O4 non-polymer 0.00 0.00 R68 R69 C28H31N5O4 non-polymer 0.20 0.08 R69 R6A C46H63N7O1Ru1 non-polymer 0.20 0.05 R6A R6C C19H25N5O2 non-polymer 0.50 0.38 R6C R6G C33H41N3O5 non-polymer 0.00 0.00 R6G R70 C24H18N2O4 non-polymer 1.00 0.37 R70 R71 Br1C23F1H27N1O2 non-polymer 0.43 0.18 R71 R77 C15H24N1O5P1 non-polymer 0.44 0.27 R77 R78 C28H39N7O3 non-polymer 0.00 0.00 R78 R79 Br1C23H27N2O1S1 non-polymer 0.43 0.18 R79 R7A Br1C10H17N1O3S2 non-polymer 0.00 0.00 R7A R7I C15H22N4O15P2 non-polymer 1.00 0.64 R7I R7U C47H65N7O1Ru1 non-polymer 0.20 0.05 R7U R82 C19H22N2O5S1 non-polymer 0.00 0.00 R82 R83 C22H29N3O5S1 non-polymer 0.00 0.00 R83 R84 C29H37N3O11S1 non-polymer 0.96 0.27 R84 R86 C27H35N7O3 non-polymer 0.00 0.00 R86 R88 Br1C21H22N1O2 non-polymer 0.62 0.28 R88 R8C C24F4H19N3O2 non-polymer 0.00 0.00 R8C R8D C20Cl2H12N4O2 non-polymer 0.00 0.00 R8D R8E C20Cl2H13N5O2 non-polymer 0.00 0.00 R8E R8G C46H72N12O4 non-polymer 0.00 0.00 R8G R8J C11H8N6O3 non-polymer 0.00 0.00 R8J R91 C16F2H20O4 non-polymer 0.00 0.00 R91 R92 C15Cl1H15N2O4S1 non-polymer 0.27 0.35 R92 R93 C27Cl1H20N3O4 non-polymer 0.00 0.00 R93 R94 C31H35N5O4 non-polymer 0.00 0.00 R94 R96 C33H39N5O4 non-polymer 0.00 0.00 R96 R99 C19H28N2O5 peptide-like 0.86 0.35 R99 R9A C49H69N7O1Ru1 non-polymer 0.20 0.05 R9A R9B C29Cl1H23N4O5 non-polymer 0.00 0.00 R9B R9P Br1C22Cl1H20N4O2 non-polymer 0.00 0.00 R9P R9T C20H25N1O4 non-polymer 0.00 0.00 R9T RA0 C20H20N2O2 non-polymer 0.00 0.00 RA0 RA1 C13Cl1H10N3O5S1 non-polymer 0.00 0.00 RA1 RA2 C18H26N2O5 non-polymer 0.00 0.00 RA2 RA4 C23H35N7O5 peptide-like 0.00 0.00 RA4 RA5 C17H14N2O6S1 non-polymer 0.00 0.00 RA5 RA8 C23H38N6O4S1 peptide-like 0.00 0.00 RA8 RA9 C10H11N5O3S3 non-polymer 0.00 0.00 RA9 RAA C6H12O5 saccharide 1.00 1.00 RAA RAB C10H13N5O4 non-polymer 1.00 0.53 RAB RAC C18H18N2O5 non-polymer 0.50 0.16 RAC RAD C52H81N1O13 non-polymer 0.00 0.00 RAD RAE C6H12O4 L-saccharide 1.00 1.00 RAE RAF C18H32O16 D-saccharide 1.00 1.00 RAF RAI C14H18N4O5 non-polymer 0.00 0.00 RAI RAJ C29F3H29N6O1 non-polymer 0.20 0.08 RAJ RAL C28H27N1O4S1 non-polymer 0.00 0.00 RAL RAM C6H12O5 L-saccharide 1.00 1.00 RAM RAN C8H18N1O9P1 non-polymer 1.00 0.63 RAN RAO C7H14O5 saccharide 1.00 0.92 RAO RAP C51H79N1O13 non-polymer 0.00 0.00 RAP RAR C27H30N6O3 non-polymer 0.22 0.17 RAR RAS C12H15N1 non-polymer 0.36 0.31 RAS RAT C5H8O7 D-saccharide 0.97 1.00 RAT RAU C12H13N1 non-polymer 0.00 0.00 RAU RAV C11H18N2O3 non-polymer 1.00 0.88 RAV RAW C40H54O1 non-polymer 0.38 0.20 RAW RAX C13Cl2H20N3P1Ru1 non-polymer 0.00 0.00 RAX RAZ C14H26N1 non-polymer 0.38 0.33 RAZ RB Rb1 non-polymer 0.00 0.00 RB RB0 C5H12O5 non-polymer 0.98 1.00 RB0 RB1 C16H19N5O1 non-polymer 0.39 0.23 RB1 RB2 C10Cl1H20N1O5 non-polymer 0.65 0.41 RB2 RB3 C13H22O7 non-polymer 0.81 1.00 RB3 RB4 C25H25N3O3S1 non-polymer 0.75 0.16 RB4 RB5 C5H10O5 D-saccharide 1.00 1.00 RB5 RB6 C20H24N8O6S2 non-polymer 0.35 0.22 RB6 RB9 C30H28N4O2S1 non-polymer 0.00 0.00 RB9 RBC C32Cl1H32N1O4 non-polymer 0.55 0.34 RBC RBD C14H22N5O8P1 DNA linking 1.00 0.32 RBD RBE C15H17N1O4 non-polymer 0.00 0.00 RBE RBF C17H20N4O6 non-polymer 0.97 0.37 RBF RBL C5H10O5 D-saccharide 1.00 1.00 RBL RBN C6Cl2H6Ru1 non-polymer 0.00 0.00 RBN RBP Br1C22H22N1O1 non-polymer 0.00 0.00 RBP RBQ C17F3H25N4O3 non-polymer 0.58 0.26 RBQ RBS C17H14N4O1 non-polymer 0.38 0.23 RBS RBT C46H62N4O11 non-polymer 0.00 0.00 RBT RBU C23H20N6Ru1 non-polymer 0.00 0.00 RBU RBV C8H12N4O5 non-polymer 1.00 0.59 RBV RBY C16H25N5O13P2 non-polymer 1.00 0.56 RBY RBZ C14H19N2O7P1 non-polymer 1.00 0.42 RBZ RC0 C15Cl2H13N5 non-polymer 0.00 0.00 RC0 RC1 C10H16O13P2 non-polymer 0.97 0.24 RC1 RC2 C17H19N7O2S1 non-polymer 0.00 0.00 RC2 RC4 B1C16H18N2O5 non-polymer 0.00 0.00 RC4 RC5 C14H22N1O5P1 non-polymer 0.44 0.29 RC5 RC7 C17H18N4O4 L-peptide linking 0.00 0.00 RC7 RC8 C24H29N7O1 non-polymer 0.50 0.31 RC8 RCA C12H16N4O5 non-polymer 1.00 1.00 RCA RCB C24H35N1O18 non-polymer 1.00 0.79 RCB RCC C35H38N4O7 non-polymer 0.40 0.20 RCC RCD C48H80O40 saccharide 1.00 1.00 RCD RCE C11H15N2O9P1 DNA linking 1.00 0.52 RCE RCF C16F1H12N1O4 non-polymer 0.98 0.27 RCF RCG C29H31N1O7 non-polymer 1.00 0.54 RCG RCH C32H31N3O5S1 non-polymer 0.50 0.17 RCH RCI C3Cl1H5O2 non-polymer 0.75 0.83 RCI RCJ C11H21N1O9 non-polymer 0.98 1.00 RCJ RCL C18H34O3 non-polymer 0.38 0.29 RCL RCM C13Cl1H12N3O2 non-polymer 0.00 0.00 RCM RCO C6H6O2 non-polymer 0.00 0.00 RCO RCP C30H35N3O3 non-polymer 0.00 0.00 RCP RCS C16H13N2O6Re1S1 non-polymer 0.00 0.00 RCS RCX C17H14O4S1 non-polymer 0.00 0.00 RCX RCY C12H19N2O3 non-polymer 0.00 0.00 RCY RCZ C38Cl1H21N12Ru1 non-polymer 0.00 0.00 RCZ RD0 C28H38N4S1 non-polymer 0.00 0.00 RD0 RD1 C11H13O10P3 non-polymer 0.00 0.00 RD1 RD2 C11H12O7P2 non-polymer 0.00 0.00 RD2 RD3 C7H11O10P3 non-polymer 0.00 0.00 RD3 RD7 C27H37N5S1 non-polymer 0.00 0.00 RD7 RDA C18Cl1H18N1O8 non-polymer 0.97 0.14 RDA RDC C18Cl1H17O6 non-polymer 0.00 0.00 RDC RDD C8H11N3O7 non-polymer 1.00 1.00 RDD RDE C18Cl1H20N1O7 non-polymer 0.50 0.22 RDE RDF C23H34N3O10P1 peptide-like 1.00 0.30 RDF RDG C15H18N5O8P1 DNA linking 1.00 0.31 RDG RDI C18Cl1H23O6 non-polymer 0.00 0.00 RDI RDL C11H14N4O8 non-polymer 0.98 0.43 RDL RDP C5H11O8P1 D-saccharide 1.00 0.71 RDP RDR C22Cl1H21N4O4S2 non-polymer 0.00 0.00 RDR RDS C14Cl1H16N3O1S1 non-polymer 1.00 0.40 RDS RDT C12H18N2O4S1 non-polymer 0.00 0.00 RDT RE RE1 non-polymer 0.00 0.00 RE RE0 C11H12N2O4 L-peptide linking 0.00 0.00 RE0 RE1 C11H21N3O7P1 non-polymer 0.00 0.00 RE1 RE2 C14H14O3 non-polymer 0.00 0.00 RE2 RE3 C11H12N2O4 L-peptide linking 0.00 0.00 RE3 RE8 C20H14N2O4S1 non-polymer 0.00 0.00 RE8 RE9 C20H28O2 non-polymer 0.95 0.27 RE9 REA C20H28O2 non-polymer 0.95 0.36 REA REB C18H17N7 non-polymer 0.00 0.00 REB REC C15H21N3O7S1 non-polymer 0.00 0.00 REC RED C8H16O2S2 non-polymer 0.00 0.00 RED REE C6H15N2O2 non-polymer 0.60 0.80 REE REF C14H6O8 non-polymer 0.00 0.00 REF REI C6H6N2O4Re1 non-polymer 0.00 0.00 REI REJ C6H6N1O6Re1 non-polymer 0.00 0.00 REJ REL C6H10O7 D-saccharide 0.99 1.00 REL REM C33H50N4O6S1 non-polymer 0.53 0.32 REM REN C19H23N1O4 non-polymer 0.00 0.00 REN REO O4Re1 non-polymer 0.00 0.00 REO REP C15H8N2O3Re1 non-polymer 0.00 0.00 REP REQ C17H12N2O3Re1 non-polymer 0.00 0.00 REQ RER C7H15N1O3 saccharide 1.00 1.00 RER RES C4H10N1O8P1 non-polymer 1.00 0.64 RES RET C20H28O1 non-polymer 0.50 0.33 RET REV C17H20O4 non-polymer 0.00 0.00 REV REW C30H28N2O6 non-polymer 0.00 0.00 REW REX C15H26N4O7 non-polymer 0.64 0.42 REX REY C12H21N3O6 non-polymer 0.64 0.29 REY REZ C10H18N2O5 non-polymer 0.64 0.35 REZ RF1 C16H21N3O3S1 non-polymer 0.56 0.22 RF1 RF2 C14F1H10N3 non-polymer 0.00 0.00 RF2 RF3 C17H17N3O2S2 non-polymer 0.00 0.00 RF3 RF4 C19H20N2O3S1 non-polymer 0.00 0.00 RF4 RF5 C5F1H10O7P1 saccharide 1.00 0.64 RF5 RF7 C11H16N1O5P1 non-polymer 0.44 0.33 RF7 RF9 C9H18N2O4 L-peptide linking 0.64 0.40 RF9 RFA C54F8H75N7Ru1 non-polymer 1.00 0.21 RFA RFB C54F8H75N7Ru1 non-polymer 1.00 0.21 RFB RFC C34H53N7O17P3S1 non-polymer 1.00 0.37 RFC RFH C43H58N4O13 non-polymer 0.55 0.38 RFH RFL C28H36N10O15P2 non-polymer 1.00 0.42 RFL RFM C26H21N5O2S1 non-polymer 0.00 0.00 RFM RFN C17H20N2O5S1 non-polymer 0.46 0.36 RFN RFP C43H58N4O12 non-polymer 0.00 0.00 RFP RFQ C24H21N4O2S2 non-polymer 0.00 0.00 RFQ RFV C37H49N1O12 non-polymer 0.00 0.00 RFV RFW C8H14N1O9P1 non-polymer 1.00 0.79 RFW RFX C17F3H18N1O1 non-polymer 0.00 0.00 RFX RFZ C12Cl2H12N2O4 non-polymer 1.00 0.50 RFZ RG1 C46H66O6 D-saccharide 1.00 0.62 RG1 RG2 C17Cl1F3H11N3O2 non-polymer 0.00 0.00 RG2 RGA C54H87N1O13 non-polymer 0.60 0.12 RGA RGC C52H84O14 non-polymer 0.00 0.00 RGC RGE C8H17N3O3S1 non-polymer 0.43 0.67 RGE RGG C9H18O8 D-saccharide 1.00 1.00 RGG RGI C2H5N1O2 peptide-like 0.00 0.00 RGI RGJ C19Cl1F1H17N3O3 non-polymer 0.50 0.15 RGJ RGK C14H11N3O1 non-polymer 0.00 0.00 RGK RGL C6H15N4O1 L-peptide linking 0.36 0.82 RGL RGP C5H10N1O7P1 non-polymer 0.64 0.71 RGP RGS C20H32N6O12S2 non-polymer 0.00 0.00 RGS RGT C15H25N5O21P4 non-polymer 1.00 0.44 RGT RGZ C18H19N3O3S1 non-polymer 0.50 0.20 RGZ RH Rh1 non-polymer 0.00 0.00 RH RH0 C12H17N1O3S1 peptide-like 0.00 0.00 RH0 RH1 C12H14N2O3 non-polymer 0.00 0.00 RH1 RH2 C16H22N4O1S1 non-polymer 0.00 0.00 RH2 RH3 Rh1 non-polymer 0.00 0.00 RH3 RH9 C78H124N4O22 non-polymer 0.60 0.15 RH9 RHA C6H13O8P1 saccharide 1.00 0.73 RHA RHB C28H31N2O3 non-polymer 0.00 0.00 RHB RHC C9H17N1O6S1 non-polymer 1.00 0.53 RHC RHD H18N6Rh1 non-polymer 0.00 0.00 RHD RHE Cl6Re1 non-polymer 0.00 0.00 RHE RHL C22H31N3O1Rh1 non-polymer 0.00 0.00 RHL RHM C22H27N6Rh1 non-polymer 0.00 0.00 RHM RHN C15H8O6 non-polymer 0.00 0.00 RHN RHO C28H25N3O5 non-polymer 0.20 0.08 RHO RHP C12H13N1O1 non-polymer 0.00 0.00 RHP RHQ C28H31N2O3 non-polymer 0.75 0.15 RHQ RHS C13H26N2O2 non-polymer 0.38 0.12 RHS RHU C4F3H4N3S1 non-polymer 0.00 0.00 RHU RHX C24H19N2O2Rh1 non-polymer 0.00 0.00 RHX RI2 C5H12O11P2 non-polymer 1.00 0.56 RI2 RI5 C15H16O6 non-polymer 1.00 0.90 RI5 RI8 C16F2H15N5O3S2 non-polymer 0.00 0.00 RI8 RI9 C16F2H20N6O4S1 non-polymer 0.00 0.00 RI9 RIA C15H23N5O14P2 RNA linking 1.00 0.53 RIA RIB C5H10O5 D-saccharide 1.00 1.00 RIB RIC C14H19N2O7P1 non-polymer 1.00 0.42 RIC RID C30F1H37N2O7S1 non-polymer 0.00 0.00 RID RIE C29F1H36N3O5 non-polymer 0.50 0.11 RIE RIF C49H65N3O15 non-polymer 0.60 0.13 RIF RIL C12H23O5P1 non-polymer 0.44 0.22 RIL RIM C12H21N1 non-polymer 0.00 0.00 RIM RIN C12H24N2O1 non-polymer 0.00 0.00 RIN RIO C17H34N4O10 non-polymer 1.00 1.00 RIO RIP C5H10O5 D-saccharide 1.00 1.00 RIP RIR C10H15Ir1 non-polymer 0.00 0.00 RIR RIS C7H11N1O7P2 non-polymer 0.00 0.00 RIS RIT C37H48N6O5S2 peptide-like 0.00 0.00 RIT RIV C19Cl1H18N3O5S1 non-polymer 0.00 0.00 RIV RJ1 C9Cl1F3H9N5 non-polymer 0.00 0.00 RJ1 RJ6 C10H15N5O2 non-polymer 0.00 0.00 RJ6 RJA C28H44O6 non-polymer 0.62 0.85 RJA RJE C16H19N5O3 non-polymer 0.75 0.21 RJE RJI C11H9N3O4 non-polymer 1.00 0.67 RJI RJN C23H19N3O3 non-polymer 0.00 0.00 RJN RJP C16H17N1O6 non-polymer 0.00 0.00 RJP RJR C23H37N3O5 non-polymer 1.00 0.68 RJR RJW C28H34O1 non-polymer 0.25 0.07 RJW RKA C30H25N5 non-polymer 0.00 0.00 RKA RKD C17Cl1H17N3O1 non-polymer 0.00 0.00 RKD RKE C13Cl1H16N1O1 non-polymer 0.00 0.00 RKE RKF C38F2H20N12Ru1 non-polymer 0.00 0.00 RKF RKL C38H22N12Ru1 non-polymer 0.00 0.00 RKL RKM C39H24N12Ru1 non-polymer 0.00 0.00 RKM RKN C14Cl1H15N1 non-polymer 0.00 0.00 RKN RKP C42H26N8Ru1 non-polymer 0.00 0.00 RKP RKS C24H36N4O10 non-polymer 0.56 0.58 RKS RKT C10H6N4 non-polymer 0.00 0.00 RKT RL1 Br1C22H17N4O3 non-polymer 0.00 0.00 RL1 RL2 C19H28N2O5 peptide-like 0.86 0.35 RL2 RL3 Br1C18H18N5O3 non-polymer 0.00 0.00 RL3 RLB C38H26N8Ru1 non-polymer 0.00 0.00 RLB RLI C17H16N4O3S2 non-polymer 0.00 0.00 RLI RLJ C19F3H14N3O3 non-polymer 0.67 0.29 RLJ RLL C23F3H16N3O3 non-polymer 0.67 0.25 RLL RLM C12Cl2H9N1O2 non-polymer 0.00 0.00 RLM RLP C14H18N4O9 non-polymer 0.97 0.37 RLP RLT C20F1H21N6O5 non-polymer 1.00 0.53 RLT RM0 C15H23N3O3 non-polymer 0.00 0.00 RM0 RM1 C10H13N1 non-polymer 0.00 0.00 RM1 RM2 C12H13N1O1 non-polymer 0.38 0.14 RM2 RM4 C6H12O5 L-saccharide 1.00 1.00 RM4 RM8 C19H22N4 non-polymer 0.00 0.00 RM8 RMA C13H15N1 non-polymer 0.36 0.29 RMA RMB C13H17N2O7P1 non-polymer 1.00 0.43 RMB RMC C20H28N6O1 non-polymer 0.50 0.37 RMC RMD C19H24N1O2Rh1 non-polymer 0.00 0.00 RMD RME C13H20N4O1 non-polymer 0.50 0.28 RME RML C40H26N12Ru1 non-polymer 0.00 0.00 RML RMM C13H10N4O1 non-polymer 0.20 0.22 RMM RMN C8H8O3 non-polymer 0.00 0.00 RMN RMO As1H2O3S1 non-polymer 0.00 0.00 RMO RMP C11H16N5O5P1 DNA linking 1.00 0.41 RMP RMR C16H19N1O4S1 non-polymer 0.00 0.00 RMR RMT C15H17N2O9P1 non-polymer 0.00 0.00 RMT RMY C19H33N1O13S1 non-polymer 1.00 0.91 RMY RN1 C13H14O3 non-polymer 0.98 0.38 RN1 RN3 C43Cl1H45N8O9S1 non-polymer 1.00 0.24 RN3 RN6 C42Cl1H45N8O7S1 non-polymer 1.00 0.15 RN6 RN8 C22H16N2O4S2 non-polymer 0.00 0.00 RN8 RNA C16H14N2O4S2 non-polymer 0.21 0.29 RNA RNB C18Cl1H23O3 non-polymer 0.38 0.36 RNB RND C25H29N5O1 non-polymer 0.00 0.00 RND RNE C20H31N1 non-polymer 0.38 0.19 RNE RNG C11H16N2O3 non-polymer 0.00 0.00 RNG RNH C16H32N2O4 non-polymer 0.65 0.45 RNH RNK C11Cl1H12N3O1S1 non-polymer 0.00 0.00 RNK RNN C16H28N2O4S2 non-polymer 0.00 0.00 RNN RNO C8H7N1O3 non-polymer 0.00 0.00 RNO RNP C16H19N1O2 non-polymer 0.64 0.47 RNP RNR C27F2H31N5O2 non-polymer 0.00 0.00 RNR RNS C6H12O5 L-saccharide 0.98 1.00 RNS RNT C6H14O5 L-saccharide 0.98 1.00 RNT RNY C32H37N7O4 non-polymer 0.00 0.00 RNY RO0 C33H38N2O5 non-polymer 0.00 0.00 RO0 RO1 C37H53N5O7S1 non-polymer 0.50 0.38 RO1 RO2 C24H23N7O1 non-polymer 0.00 0.00 RO2 RO3 Br1C11H10N3O3S2 non-polymer 0.00 0.00 RO3 RO4 C19H35N3O6 non-polymer 0.59 0.29 RO4 RO5 Br1C12H12N3O3S2 non-polymer 0.00 0.00 RO5 RO6 C18Cl1H20N5O2 non-polymer 0.00 0.00 RO6 RO7 C24H23N1O5S1 non-polymer 0.65 0.26 RO7 RO8 Br1C10Cl1H7N3O3S2 non-polymer 0.00 0.00 RO8 RO9 C20H18N4O1 non-polymer 0.00 0.00 RO9 ROA C18H16O8 non-polymer 0.60 0.35 ROA ROB C5H11O7P1 saccharide 1.00 0.69 ROB ROC C38H50N6O5 peptide-like 0.39 0.10 ROC ROD C14F3H11N2O4 non-polymer 1.00 0.57 ROD ROE C18H16N2O5 non-polymer 1.00 0.52 ROE ROF C17Cl2F2H14N2O3 non-polymer 0.00 0.00 ROF ROI C8H11N5O2 non-polymer 0.00 0.00 ROI ROK C9H13N3O3S2 non-polymer 0.00 0.00 ROK ROL C16H21N1O3 non-polymer 0.00 0.00 ROL ROM C43Cl1H45N3O13 non-polymer 1.00 0.30 ROM RON C5H11N1O2 L-peptide linking 0.00 0.00 RON ROP C3H7N1O1 non-polymer 0.00 0.00 ROP ROR C5H10O5 L-saccharide 1.00 1.00 ROR ROS C23H23N2O1 non-polymer 0.20 0.12 ROS ROU C15F6H10N2O4 non-polymer 1.00 0.48 ROU ROX C41H76N2O15 non-polymer 1.00 0.45 ROX RP1 C10H12N5O5P1S1 non-polymer 1.00 0.45 RP1 RP2 Br1C10H11N5O5P1S1 non-polymer 1.00 0.43 RP2 RP3 C5H11O7P1 non-polymer 1.00 0.69 RP3 RP4 C19H18O5S1 non-polymer 0.00 0.00 RP4 RP5 C5H11O8P1 non-polymer 1.00 0.71 RP5 RP6 C14H21N1O8 non-polymer 1.00 1.00 RP6 RP8 C10H11N3 non-polymer 0.00 0.00 RP8 RPA C46H66O7 saccharide 1.00 0.74 RPA RPB C19F1H18N3O1 non-polymer 0.00 0.00 RPB RPC C9H15N3O11P2 RNA linking 1.00 0.40 RPC RPD C13H22N3O13P1 non-polymer 1.00 0.50 RPD RPF C31H37N3O5 non-polymer 0.83 0.13 RPF RPG C20H32O4 non-polymer 0.46 0.29 RPG RPH C9H15N1O2 non-polymer 0.00 0.00 RPH RPI C6H15N4O5P1 L-peptide linking 0.43 0.62 RPI RPL C13H22N3O13P1 non-polymer 1.00 0.50 RPL RPN C8H8N4O3 non-polymer 0.00 0.00 RPN RPO C30H51N5O14 non-polymer 1.00 0.86 RPO RPP C10H14I1N5O4 non-polymer 1.00 0.50 RPP RPQ C6H10N4O3 non-polymer 1.00 0.85 RPQ RPR C27H30N4O3 non-polymer 0.55 0.35 RPR RPS C20H19N2O3Ru1S3 non-polymer 0.00 0.00 RPS RPT C47H64N4O12 non-polymer 0.00 0.00 RPT RPX C52H77N1O13 non-polymer 0.00 0.00 RPX RQ3 C20H23N1O4 non-polymer 0.81 0.28 RQ3 RQQ C17H15N3O2 non-polymer 0.00 0.00 RQQ RQX C15H21N1O3 non-polymer 0.38 0.11 RQX RR1 C19H16N8O10S3 non-polymer 1.00 0.22 RR1 RR2 C84H50N16Ru2 non-polymer 0.00 0.00 RR2 RR6 C35H25N9O22S6 non-polymer 0.00 0.00 RR6 RR8 C24Cl1F1H22N4O5S1 non-polymer 0.00 0.00 RR8 RRA C3H5N1 non-polymer 0.00 0.00 RRA RRC C19H26N6O1 non-polymer 0.50 0.38 RRC RRE C3H6O6Re1 non-polymer 0.00 0.00 RRE RRG C24H24O3 non-polymer 0.00 0.00 RRG RRH C24H24O3 non-polymer 0.00 0.00 RRH RRK C14H16N2 non-polymer 0.00 0.00 RRK RRM C32H48O7 non-polymer 0.50 0.69 RRM RRO Br1C5H3N2O4 non-polymer 1.00 0.83 RRO RRP C20Cl1H19N4O3S2 non-polymer 0.00 0.00 RRP RRQ C33Cl1H41N4O6S2 non-polymer 0.00 0.00 RRQ RRR C18Cl1H17N4O3S2 non-polymer 0.19 0.14 RRR RRS C25H36N4O4 non-polymer 0.00 0.00 RRS RRT C12H15N1O3S1 non-polymer 0.00 0.00 RRT RRV C16H25N1O4 non-polymer 0.65 0.48 RRV RRX C40H56O1 non-polymer 0.38 0.20 RRX RS1 C19Cl1H20N1O6S1 non-polymer 0.00 0.00 RS1 RS2 C19H21N1O6S1 non-polymer 0.00 0.00 RS2 RS3 C18H23N5O6 non-polymer 0.97 0.34 RS3 RS7 C17H20O2 non-polymer 0.44 0.32 RS7 RS8 C18H17N7O5 peptide-like 0.44 0.43 RS8 RSA C12H13N1 non-polymer 0.00 0.00 RSA RSD C51H75N2O22 non-polymer 1.00 0.63 RSD RSE C12H21N5O13P3Se1 non-polymer 1.00 0.29 RSE RSF C6H10O3 non-polymer 0.00 0.00 RSF RSG C6H10O3 non-polymer 0.00 0.00 RSG RSH C6H12O6 non-polymer 1.00 1.00 RSH RSK C14H16N2 non-polymer 0.00 0.00 RSK RSM C8H16N2O3S1 non-polymer 0.47 0.79 RSM RSO C8H8O1 non-polymer 0.00 0.00 RSO RSP C9H14N3O7P1S1 RNA linking 1.00 0.48 RSP RSQ C10H14N3O9P1 RNA linking 1.00 0.83 RSQ RSS C25H35N3O4 non-polymer 0.00 0.00 RSS RST C6H13N1O3 saccharide 1.00 1.00 RST RSV C13H10N2S1 non-polymer 0.00 0.00 RSV RSW C25Cl1H16N3O4Ru1 non-polymer 0.00 0.00 RSW RSX C8H17N1O6P2 non-polymer 0.00 0.00 RSX RSY C31Cl1H43N6O6 peptide-like 0.00 0.00 RSY RSZ C34H39N5O5 peptide-like 0.00 0.00 RSZ RT C10H15N2O9P1 RNA linking 1.00 0.82 RT RT0 C13F1H13N4O2 L-peptide linking 0.00 0.00 RT0 RT1 C12H18N1O4P1 peptide-like 0.69 0.33 RT1 RT3 C19Cl1H20N3O4S2 non-polymer 0.00 0.00 RT3 RT7 C18Cl3H16N3O4S2 non-polymer 0.00 0.00 RT7 RT8 C24H28N4O2 non-polymer 0.00 0.00 RT8 RTA C25H42N5Ru1 non-polymer 0.00 0.00 RTA RTB C27H19N5Ru1 non-polymer 0.00 0.00 RTB RTC C3O3Re1 non-polymer 0.00 0.00 RTC RTD C8H8O2S1 non-polymer 0.00 0.00 RTD RTE C22Cl1F1H16N2O4 non-polymer 0.00 0.00 RTE RTF C23H21N3O4 non-polymer 0.00 0.00 RTF RTH C21H20N2 non-polymer 0.38 0.09 RTH RTK C6H17N1O2P1 non-polymer 0.20 0.30 RTK RTL C20H30O1 non-polymer 0.75 0.33 RTL RTM C19H25N3O1 non-polymer 0.00 0.00 RTM RTN C25H29N3O1 non-polymer 0.00 0.00 RTN RTP C8H15N4O14P3 RNA linking 1.00 0.34 RTP RTR C20Cl1H19N4O3S2 non-polymer 0.00 0.00 RTR RTX C20Cl1H25N2O1 non-polymer 0.00 0.00 RTX RTY Br1C14H20N1O4 non-polymer 0.81 0.35 RTY RTZ C21H26N2S2 non-polymer 0.00 0.00 RTZ RU Ru1 non-polymer 0.00 0.00 RU RU0 C8Cl2H12O8Ru2 non-polymer 0.00 0.00 RU0 RU1 C2O2Ru1 non-polymer 0.00 0.00 RU1 RU2 C1H10O6Ru1 non-polymer 0.00 0.00 RU2 RU5 C20Cl1H14N3O2 non-polymer 0.00 0.00 RU5 RU6 C51H81N5O13 non-polymer 1.00 0.30 RU6 RU7 C10Cl2H14Ru1 non-polymer 0.00 0.00 RU7 RU8 C34H26I1N7O1Ru1 non-polymer 0.00 0.00 RU8 RU9 C20H15N3O3 non-polymer 0.00 0.00 RU9 RUA C32H56N6Ru1 non-polymer 0.00 0.00 RUA RUB C5H12O11P2 saccharide 1.00 0.56 RUB RUC C6H6Ru1 non-polymer 0.00 0.00 RUC RUD C16Cl2H24N3O2P1Ru1 non-polymer 0.00 0.00 RUD RUF C18Cl1H21N6O2 non-polymer 0.00 0.00 RUF RUG C9H15N3O6 non-polymer 1.00 0.67 RUG RUH C16Cl1H22N2Ru1 non-polymer 0.00 0.00 RUH RUI C18H7N2O2Ru1 non-polymer 0.00 0.00 RUI RUJ C7H17N2O2 non-polymer 0.67 0.64 RUJ RUL C64H44N14Ru2 non-polymer 0.00 0.00 RUL RUM Br1C17H18N5O1 non-polymer 0.00 0.00 RUM RUN C38H46N4O5 non-polymer 0.56 0.11 RUN RUO O1RU3 non-polymer 0.00 0.00 RUO RUP C29H37N5O2 non-polymer 0.00 0.00 RUP RUR C34H36N4O4Ru1 non-polymer 0.00 0.00 RUR RUS C9H13N2O8P1Se1 RNA linking 1.00 0.48 RUS RUT C27H30O16 non-polymer 1.00 0.51 RUT RUU C5H10O5 L-saccharide 1.00 1.00 RUU RUX C29H24N4O5Ru1 non-polymer 0.00 0.00 RUX RV1 C10H12N2O3S1 non-polymer 0.00 0.00 RV1 RVA C16H12O6 non-polymer 0.50 0.32 RVA RVB C13H14O6 non-polymer 0.62 0.47 RVB RVC C13H12O6 non-polymer 0.56 0.47 RVC RVD C12H12O6 non-polymer 0.65 0.44 RVD RVE C10H8O6 non-polymer 0.95 0.38 RVE RVI C29H37N3O1 non-polymer 0.00 0.00 RVI RVN C17H11N1O5 non-polymer 0.00 0.00 RVN RVP C8H13N4O8P1 non-polymer 1.00 0.48 RVP RVX C8H18N1O5P1 L-peptide linking 0.83 0.93 RVX RW1 C10H8N2 non-polymer 0.00 0.00 RW1 RW2 C15H19N2O9P1 non-polymer 0.00 0.00 RW2 RW3 C29H28N10O1S1 non-polymer 0.00 0.00 RW3 RW4 C27H26N10S1 non-polymer 0.00 0.00 RW4 RWF C19H16O4 non-polymer 0.00 0.00 RWF RWJ C19H25N5O2S1 non-polymer 0.32 0.33 RWJ RWX Br1C19Cl1H21N7O4S1 non-polymer 0.00 0.00 RWX RWY C15H13N1O2S1 non-polymer 0.50 0.26 RWY RWZ C22H38N2 non-polymer 0.38 0.33 RWZ RX0 C29H40N2O4 non-polymer 1.00 0.43 RX0 RX3 C33H36N3O7P1 non-polymer 0.00 0.00 RX3 RX4 C21H31N4O8P1 peptide-like 0.00 0.00 RX4 RX5 C26Cl1H41N4O5 non-polymer 0.72 0.22 RX5 RX6 C26Cl1H41N4O5 non-polymer 0.72 0.22 RX6 RX8 C17H22N4O2 non-polymer 0.50 0.52 RX8 RXA C9H5N1O3 non-polymer 1.00 1.00 RXA RXB C19H14N2O6 non-polymer 1.00 0.89 RXB RXC C19Cl1H13N2O6 non-polymer 1.00 0.86 RXC RXD C21F1H18N3O6 non-polymer 1.00 0.42 RXD RXM C43H51N3O11 non-polymer 0.00 0.00 RXM RXO As1C6H6N1O3 non-polymer 0.00 0.00 RXO RXP C39H43N4O6P1 non-polymer 0.00 0.00 RXP RXR C10H18N1O1S2 non-polymer 0.00 0.00 RXR RXT C17H18N6 non-polymer 0.00 0.00 RXT RXV C25H27N5O2S1 non-polymer 0.00 0.00 RXV RXZ C27F3H24N5O2 non-polymer 0.00 0.00 RXZ RY C9H16N3O8P1 RNA linking 1.00 0.48 RY RYJ C9F3H9N2O3S1 non-polymer 0.29 0.28 RYJ RYN C9H17N5S1 non-polymer 1.00 0.73 RYN RYU C22H23N3O5S1 non-polymer 0.00 0.00 RYU RYV C9H12N2O3S1 non-polymer 0.50 0.33 RYV RYX C10F5H9N2O3S1 non-polymer 0.29 0.24 RYX RYY C10H14N2O3S1 non-polymer 0.00 0.00 RYY RYZ C11F7H9N2O3S1 non-polymer 0.29 0.21 RYZ RZ0 C11H16N2O3S1 non-polymer 0.00 0.00 RZ0 RZ1 C12F9H9N2O3S1 non-polymer 0.29 0.19 RZ1 RZ4 C7H15N1O3 L-peptide linking 0.83 1.00 RZ4 RZ5 C12H18N2O3S1 non-polymer 0.00 0.00 RZ5 RZ7 C13F11H9N2O3S1 non-polymer 0.29 0.17 RZ7 RZ8 C13H20N2O3S1 non-polymer 0.00 0.00 RZ8 RZD C20H29N4O6P1 non-polymer 0.50 0.29 RZD RZH Br1C13H17N2 non-polymer 0.00 0.00 RZH RZM C12H23N1O9 saccharide 1.00 1.00 RZM RZW C14H17N1O4 non-polymer 0.00 0.00 RZW RZX C18H21N3O3S1 non-polymer 0.83 0.20 RZX S S1 non-polymer 0.00 0.00 S S00 C29H39N5O4S1 peptide-like 0.00 0.00 S00 S01 C27Cl1H26N3O1 non-polymer 0.00 0.00 S01 S02 C18H31O7P1 non-polymer 0.25 0.08 S02 S03 C25H27N5O2 non-polymer 0.00 0.00 S03 S04 C29Cl1H39N4O4S1 peptide-like 0.00 0.00 S04 S05 C18H22N4O1 non-polymer 0.00 0.00 S05 S06 C18H21N1O6 non-polymer 1.00 0.56 S06 S0A C12H16N2O1 non-polymer 0.00 0.00 S0A S0B C12H16N2S1 non-polymer 0.00 0.00 S0B S0C C10H14N2O1S1 non-polymer 0.00 0.00 S0C S0D C11H10N4 non-polymer 0.00 0.00 S0D S0E C8F3H5N2S1 non-polymer 0.00 0.00 S0E S0F Br1C10H9N2S1 non-polymer 0.00 0.00 S0F S0G C10H16N4O2 non-polymer 1.00 0.62 S0G S0H C3H9O4P1 non-polymer 0.00 0.00 S0H S0I C15H14N2O1 non-polymer 0.00 0.00 S0I S0J C14H19N3O1S1 non-polymer 0.00 0.00 S0J S0K C15H16N2O2S1 non-polymer 0.00 0.00 S0K S0L C23H21N7O1 non-polymer 0.00 0.00 S0L S0N C32H45N8O20P3 non-polymer 1.00 0.37 S0N S0W C9Cl1H9O2 non-polymer 0.00 0.00 S0W S10 C9H18N2O4 non-polymer 0.00 0.00 S10 S11 C20Cl2H20N4O2S1 non-polymer 0.00 0.00 S11 S12 C24H46N1O9P1 L-peptide linking 1.00 0.69 S12 S13 C15H21N1O6 non-polymer 1.00 0.64 S13 S14 C22F1H25N6O2 non-polymer 0.20 0.10 S14 S16 C14Cl1H11N2O3 non-polymer 0.00 0.00 S16 S17 Br1C18H25N2O5 non-polymer 0.56 0.27 S17 S18 C26Cu1H37N9O2S1 non-polymer 0.00 0.00 S18 S19 C17H22N6O2 non-polymer 1.00 0.44 S19 S1A C29H44O8 non-polymer 1.00 0.43 S1A S1C C15H13N1O3 non-polymer 0.00 0.00 S1C S1D C13F1H9O2 non-polymer 0.00 0.00 S1D S1H C19H39N1O5S1 L-peptide linking 0.83 0.27 S1H S1P C18H38N1O5P1 non-polymer 0.56 0.40 S1P S1S C41H46N4O10 non-polymer 0.54 0.18 S1S S1T C15H23N3O8P2S1 non-polymer 0.00 0.00 S1T S1Y C14H27N5O5S1 non-polymer 0.00 0.00 S1Y S20 C22H26N4O1 non-polymer 0.00 0.00 S20 S21 C10F3H6N1O4 non-polymer 0.38 0.33 S21 S22 C28H33N5O4S1 non-polymer 0.00 0.00 S22 S23 C21H27N2O5P1 non-polymer 0.00 0.00 S23 S24 C7H6O4S1 non-polymer 0.00 0.00 S24 S25 C20H23N7O2S1 non-polymer 0.00 0.00 S25 S26 C18Cl1H13N2O4S2 non-polymer 1.00 0.52 S26 S27 C20H27N2O3P1 non-polymer 0.38 0.35 S27 S28 C22H27N5O4S1 peptide-like 0.00 0.00 S28 S29 C23H29N5O4S1 peptide-like 0.00 0.00 S29 S2A C33H33N1O6 non-polymer 1.00 0.28 S2A S2C B1C5H13N1O5S1 L-peptide linking 0.00 0.00 S2C S2D C10H11N1O3 D-peptide linking 0.64 0.57 S2D S2G C5H8O5 non-polymer 0.98 1.00 S2G S2H H2S2 non-polymer 0.00 0.00 S2H S2I C22H25N5O1 non-polymer 0.00 0.00 S2I S2L C14Cl1H11O3 non-polymer 0.25 0.11 S2L S2M C13H21N2O9P1S1 RNA linking 1.00 0.54 S2M S2N C24H47N2O9P1S1 non-polymer 0.70 0.35 S2N S2O C8H11N1O3S1 non-polymer 0.00 0.00 S2O S2P C5H7N3O3S1 L-peptide linking 0.00 0.00 S2P S2T C10Cl1H9O4 non-polymer 0.50 0.73 S2T S2X C14H12N2O4 non-polymer 0.00 0.00 S2X S30 C25H21N7O2 non-polymer 0.62 0.09 S30 S31 C27Cu1H39N9O3S1 non-polymer 0.00 0.00 S31 S32 C27Cu1H38N6O3S1 non-polymer 0.00 0.00 S32 S33 C32Cl2H34N6O6S1 non-polymer 0.00 0.00 S33 S35 C26F1H30N3O5 non-polymer 0.67 0.46 S35 S36 C19H21N1O3 non-polymer 0.00 0.00 S36 S38 C17H14N2O1 non-polymer 0.00 0.00 S38 S3B C11H12O4 non-polymer 0.75 0.33 S3B S3C C9Cl3H5O2S1 non-polymer 0.93 0.27 S3C S3F Fe4O1S3 non-polymer 0.00 0.00 S3F S3G C21H24N2O5 non-polymer 0.00 0.00 S3G S3H H2S3 non-polymer 0.00 0.00 S3H S3N C20F3H16N3O2 non-polymer 0.00 0.00 S3N S3P C7H11O8P1 non-polymer 0.00 0.00 S3P S41 C22H20N6O4 non-polymer 0.50 0.12 S41 S42 C23H29N5 non-polymer 0.00 0.00 S42 S44 C32H41N1O4 non-polymer 0.58 0.11 S44 S45 C13Cl1H14N3O1 non-polymer 0.00 0.00 S45 S46 C12H16N2O2 non-polymer 0.00 0.00 S46 S47 C28H25N1O4 non-polymer 0.00 0.00 S47 S48 C27H30N6O4S1 non-polymer 0.64 0.16 S48 S4A C10H14N5O5P1S1 DNA linking 1.00 0.41 S4A S4B B1C14H13O4 non-polymer 0.25 0.11 S4B S4C C9H14N3O7P1S1 RNA linking 1.00 0.48 S4C S4G C10H14N5O6P1S1 DNA linking 1.00 0.39 S4G S4H H2S4 non-polymer 0.00 0.00 S4H S4M C14H24N6O3S1 non-polymer 1.00 0.38 S4M S4P H2S4 non-polymer 0.00 0.00 S4P S4U C9H13N2O8P1S1 RNA linking 1.00 0.48 S4U S51 C26H25N3O1 non-polymer 0.00 0.00 S51 S52 C25H23N3O2 non-polymer 0.00 0.00 S52 S53 C32F1H29N4O2 non-polymer 0.00 0.00 S53 S54 C25H33N5O4S1 peptide-like 0.00 0.00 S54 S55 C27H36N2O9 non-polymer 1.00 0.42 S55 S56 C28H30N6O3 non-polymer 0.50 0.24 S56 S57 C16Cl1H21N2O2 non-polymer 0.00 0.00 S57 S58 Br1C16F3H11N3O2S1 non-polymer 0.00 0.00 S58 S5B C25H25N3O3 non-polymer 0.38 0.06 S5B S5D C22H27N5 non-polymer 0.00 0.00 S5D S5H C25H38O5 non-polymer 0.96 0.27 S5H S5P C9H13N2O9P1S1 non-polymer 1.00 0.77 S5P S5S H4S5 non-polymer 0.00 0.00 S5S S5Z C14H12O2S1 non-polymer 0.00 0.00 S5Z S60 C10H9N5O1 non-polymer 0.00 0.00 S60 S61 C20F1H18N3O4 non-polymer 0.37 0.39 S61 S62 C7H5N1O6S3 non-polymer 0.00 0.00 S62 S69 C17H18N2O4 non-polymer 0.00 0.00 S69 S6G C10H14N5O6P1S1 DNA linking 1.00 0.39 S6G S6I C12H17N3O3S1 non-polymer 0.00 0.00 S6I S6L C24H21N5O2 non-polymer 0.00 0.00 S6L S6P C6H15O9P1 D-saccharide 1.00 0.75 S6P S70 C4H10O9P2 non-polymer 0.75 0.47 S70 S71 C22H28N6 non-polymer 0.00 0.00 S71 S72 C29F1H35N6O3 non-polymer 0.00 0.00 S72 S73 C19F3H20N3O4 non-polymer 0.00 0.00 S73 S74 C30H32N2O4 non-polymer 0.00 0.00 S74 S76 C5H7N3O2 non-polymer 1.00 0.90 S76 S77 C18F1H19N6 non-polymer 0.00 0.00 S77 S79 C20H16N6O1 non-polymer 0.00 0.00 S79 S7B C12H12O4 non-polymer 0.00 0.00 S7B S7K C22H26N4 non-polymer 0.00 0.00 S7K S7M C16H25N6O5S1 non-polymer 1.00 0.32 S7M S7P C7H15O10P1 D-saccharide 1.00 0.78 S7P S80 C20H37N3O6 non-polymer 0.50 0.17 S80 S81 C12F1H25N4O5 non-polymer 1.00 0.95 S81 S82 C20H26N4O2 non-polymer 0.00 0.00 S82 S84 C19F3H25N4 non-polymer 0.30 0.23 S84 S85 C18F1H25N4 non-polymer 0.30 0.26 S85 S88 C25F1H27N2O1 non-polymer 0.00 0.00 S88 S89 C27H28N2O3 peptide-like 0.38 0.44 S89 S8A C9H7N1O5S1 non-polymer 0.00 0.00 S8A S8F C17F1H18N5 non-polymer 0.00 0.00 S8F S8M C14H20N10O3S1 RNA linking 1.00 0.32 S8M S8Y C23H27N3O6 non-polymer 0.39 0.50 S8Y S8Z C23F4H20N4O2 non-polymer 0.58 0.12 S8Z S90 C20F1H27N4 non-polymer 0.00 0.00 S90 S91 C20H19N5O3 non-polymer 1.00 0.39 S91 S94 C21H24N2O2 non-polymer 0.00 0.00 S94 S97 C24H27N5 non-polymer 0.00 0.00 S97 S98 C14H12N6O1S1 non-polymer 0.00 0.00 S98 S99 C21H24N2O3 non-polymer 0.00 0.00 S99 S9L C6H15O7P1 non-polymer 0.88 0.71 S9L S9T C20H25N1O4 non-polymer 0.00 0.00 S9T SA0 C13H18O7 saccharide 1.00 0.60 SA0 SA1 C15H21N1O4 non-polymer 1.00 0.75 SA1 SA2 C13H19N1O9S1 non-polymer 0.59 0.71 SA2 SA3 C26H21N3O9 non-polymer 1.00 0.32 SA3 SA6 C15H23N1O4 non-polymer 1.00 0.75 SA6 SA8 C15H23N7O5 non-polymer 1.00 0.67 SA8 SA9 C7H8O2 non-polymer 0.00 0.00 SA9 SAA C9H10O3 non-polymer 0.54 0.75 SAA SAB C11H17N3O3S1 non-polymer 0.00 0.00 SAB SAC C5H9N1O4 L-peptide linking 0.84 1.00 SAC SAD C20H27N7O13P2Se1 non-polymer 1.00 0.49 SAD SAE C19H25N7O14P2Se1 non-polymer 1.00 0.56 SAE SAF C10H15N1O1 non-polymer 0.35 0.58 SAF SAG C17F1H17N2O2 non-polymer 0.35 0.32 SAG SAH C14H20N6O5S1 L-peptide linking 1.00 0.35 SAH SAI C14H20N6O5Se1 non-polymer 1.00 0.35 SAI SAJ C17H25N3O18P2 non-polymer 1.00 0.65 SAJ SAK C16H14O5 non-polymer 0.00 0.00 SAK SAL C7H6O3 non-polymer 0.00 0.00 SAL SAM C15H22N6O5S1 non-polymer 1.00 0.33 SAM SAN C6H8N2O2S1 non-polymer 0.00 0.00 SAN SAO C14H21N6O5S1 L-peptide linking 1.00 0.35 SAO SAP C10H16N5O12P3S1 non-polymer 1.00 0.32 SAP SAQ C14H11N5O1S1 non-polymer 0.00 0.00 SAQ SAR C3H7N1O2 peptide linking 0.71 1.00 SAR SAS C18H14N4O5S1 non-polymer 0.00 0.00 SAS SAT C2H4O5S1 non-polymer 0.00 0.00 SAT SAU C20H14N1O4 non-polymer 0.00 0.00 SAU SAV C21H22N6O3 non-polymer 0.00 0.00 SAV SAW C31H45N3O4S1 non-polymer 0.20 0.08 SAW SAX C19H30O4 non-polymer 0.00 0.00 SAX SAY C12H15O8P1 DNA linking 0.00 0.00 SAY SAZ C14H26N1 non-polymer 0.38 0.33 SAZ SB Sb1 non-polymer 0.00 0.00 SB SB0 C20F1H21N4O2 non-polymer 0.00 0.00 SB0 SB1 C24H39N1O6 non-polymer 0.00 0.00 SB1 SB2 C21F1H16N3O1S1 non-polymer 0.00 0.00 SB2 SB3 C28H35N1O4 non-polymer 0.54 0.30 SB3 SB4 C18F1H19N6 non-polymer 0.00 0.00 SB4 SB5 C17F1H16N5 non-polymer 0.00 0.00 SB5 SB6 C18F1H16N3 non-polymer 0.00 0.00 SB6 SB7 C10H15N1O2 non-polymer 0.00 0.00 SB7 SB8 C16H15N1O4 non-polymer 0.64 0.29 SB8 SB9 C10H14N2O2 non-polymer 0.00 0.00 SB9 SBA C22H36N2O5 non-polymer 0.62 0.76 SBA SBB C19H21N3O3S1 non-polymer 0.00 0.00 SBB SBC C15H12N6O3S1 non-polymer 0.00 0.00 SBC SBD B1C17H22N2O6 D-peptide linking 0.83 0.58 SBD SBE B1C2H5O3 non-polymer 0.00 0.00 SBE SBF C32H47N3O3S1 non-polymer 0.20 0.08 SBF SBG C4H10N1O5P1 non-polymer 0.83 0.64 SBG SBH Br1C5H13O8P2 non-polymer 0.70 0.44 SBH SBI C11F1H9N2O3 non-polymer 0.00 0.00 SBI SBK C7Cl3H4N1O3 non-polymer 0.00 0.00 SBK SBL B1C17H22N2O6 L-peptide linking 0.83 0.58 SBL SBN C15H14N2O2S1 non-polymer 0.00 0.00 SBN SBO H3O3Sb1 non-polymer 0.00 0.00 SBO SBP B1C6H15N3O3 non-polymer 0.44 0.46 SBP SBR C19H21N3O3S1 non-polymer 0.00 0.00 SBR SBS C19H21N3O3S1 non-polymer 0.00 0.00 SBS SBT C4H10O1 non-polymer 0.00 0.00 SBT SBU C4H10 non-polymer 0.00 0.00 SBU SBW C14H14N2O4S1 non-polymer 0.00 0.00 SBW SBX C28H41N1O4 non-polymer 0.54 0.30 SBX SBY C17H37N1O3S1 non-polymer 0.20 0.14 SBY SBZ B1C10H14N2O3 non-polymer 0.00 0.00 SBZ SC C9H14N3O6P1S1 DNA linking 1.00 0.45 SC SC0 C17H34O6P2 non-polymer 0.33 0.44 SC0 SC1 C10H16O13P2 non-polymer 0.97 0.24 SC1 SC2 C5H9N1O3S1 peptide-like 0.59 0.90 SC2 SC3 C18H23N6O2 non-polymer 0.00 0.00 SC3 SC4 C21Cl3H17O3 non-polymer 0.00 0.00 SC4 SC5 C18H26N4O2 non-polymer 0.42 0.54 SC5 SC6 C34F2H39N3O5 non-polymer 0.56 0.14 SC6 SC7 C31F2H43N3O4 non-polymer 0.00 0.00 SC7 SC8 C18Cl2H13N5 non-polymer 0.00 0.00 SC8 SC9 C18F1H14N5 non-polymer 0.00 0.00 SC9 SCA C25H40N7O19P3S1 non-polymer 1.00 0.42 SCA SCB C24Cl1H19N2O5S1 non-polymer 0.50 0.15 SCB SCC C2H6S1 non-polymer 0.00 0.00 SCC SCD C26H42N7O19P3 non-polymer 1.00 0.42 SCD SCE C13H13N5 non-polymer 0.00 0.00 SCE SCF C18F1H14N5 non-polymer 0.00 0.00 SCF SCG C17H24O10 non-polymer 1.00 0.59 SCG SCH C4H9N1O2S2 L-peptide linking 0.00 0.00 SCH SCI C6H13N3O2S1 non-polymer 0.43 0.83 SCI SCJ Br1C18H14N5 non-polymer 0.00 0.00 SCJ SCK C14H30N2O4 non-polymer 0.95 1.00 SCK SCL C9H9N1O4 non-polymer 0.81 0.50 SCL SCM C14H24N2O7 non-polymer 1.00 0.91 SCM SCN C1N1S1 non-polymer 0.00 0.00 SCN SCO C25H41N8O19P3 non-polymer 1.00 0.42 SCO SCP C11H16N3O7P1 non-polymer 0.00 0.00 SCP SCQ Br1C18H14N5 non-polymer 0.00 0.00 SCQ SCR C12H22O35S8 saccharide 1.00 0.42 SCR SCS C5H11N1O2S2 L-peptide linking 0.00 0.00 SCS SCT C12H16N2O4 non-polymer 1.00 1.00 SCT SCU C9H18N1O3 non-polymer 0.69 1.00 SCU SCV C14H22N2O8S1 non-polymer 0.75 0.32 SCV SCW Br1C18H14N5 non-polymer 0.00 0.00 SCW SCX C19F2H17N7 non-polymer 0.00 0.00 SCX SCY C5H9N1O3S1 L-peptide linking 0.00 0.00 SCY SCZ C21H19N5 non-polymer 0.00 0.00 SCZ SD1 C27H31N3O5 non-polymer 0.00 0.00 SD1 SD2 C21H30N4O5S2 L-peptide linking 0.00 0.00 SD2 SD3 C4H8N2O4 non-polymer 0.50 0.90 SD3 SD4 C4H8N2O4 L-peptide linking 0.50 0.90 SD4 SD5 C18F3H21N6O2 non-polymer 0.00 0.00 SD5 SD8 C18H20N4O2S2 non-polymer 0.75 0.19 SD8 SDA C6Cl2H6N2O2S1 non-polymer 0.00 0.00 SDA SDB C7H13N3O3 non-polymer 0.00 0.00 SDB SDC C5H12N2O4S2 non-polymer 0.00 0.00 SDC SDD C6H12O6 D-saccharide 1.00 1.00 SDD SDE C14H22N5O8P1 DNA linking 1.00 0.32 SDE SDF C7Cl2H7O3P1S1 non-polymer 0.00 0.00 SDF SDG C10H14N5O6P1Se1 DNA linking 1.00 0.39 SDG SDH C10H16N5O9P1 DNA linking 1.00 0.36 SDH SDJ C25H35N5O2 non-polymer 0.00 0.00 SDJ SDK C31H42N4O7 non-polymer 0.00 0.00 SDK SDL C13H17N5O6 non-polymer 1.00 0.58 SDL SDN C16H14O5 non-polymer 0.00 0.00 SDN SDO C19H35N2O8P1S1 non-polymer 0.62 0.32 SDO SDP C7H16N1O6P1 L-peptide linking 0.83 0.93 SDP SDR C15H26N2O6 peptide-like 0.56 0.78 SDR SDS C12H26O4S1 non-polymer 0.00 0.00 SDS SDT C19H24O4 non-polymer 0.00 0.00 SDT SDV C21F1H17N4O2 non-polymer 0.00 0.00 SDV SDX C28H46N7O22P3 non-polymer 1.00 0.57 SDX SDZ C24H33N3O2 non-polymer 0.00 0.00 SDZ SE Se1 non-polymer 0.00 0.00 SE SE0 C17H23N3O7S2 non-polymer 0.83 0.24 SE0 SE2 C9H6O3 non-polymer 0.00 0.00 SE2 SE4 O4Se1 non-polymer 0.00 0.00 SE4 SE5 C13Cl1H12N1O2 non-polymer 0.00 0.00 SE5 SE7 C3H7N1O4Se1 L-peptide linking 0.00 0.00 SE7 SE8 C16H24N4O11 non-polymer 0.69 0.77 SE8 SEA C2H7N1S1 non-polymer 0.00 0.00 SEA SEB C10H13N1O5S1 L-peptide linking 0.83 0.41 SEB SEC C3H7N1O2Se1 L-peptide linking 0.00 0.00 SEC SEE B1C3H9N1O6 L-peptide linking 0.83 0.64 SEE SEF C20F1H37N1O4P1 non-polymer 0.00 0.00 SEF SEG C3H7N1O3 L-peptide linking 0.84 1.00 SEG SEH C10H13N1O4S2 non-polymer 0.00 0.00 SEH SEI C29F5H37N4O6 non-polymer 0.00 0.05 SEI SEK C1N1Se1 non-polymer 0.00 0.00 SEK SEL C3H9N1O2 L-peptide linking 0.64 1.00 SEL SEM C10H13N1O3 L-peptide linking 0.83 0.50 SEM SEN C5H13N2O5P1 L-peptide linking 0.83 0.54 SEN SEO C2H6O1S1 non-polymer 0.00 0.00 SEO SEP C3H8N1O6P1 L-peptide linking 0.83 0.64 SEP SER C3H7N1O3 L-peptide linking 0.84 1.00 SER SER_LEO2 C3H5N1O3 NA 0.83 1.00 SER_LEO2 SER_LEO2H C3H6N1O3 NA 0.84 1.00 SER_LEO2H SER_LEO2H_DHG C3H5N1O3 NA 0.83 1.00 SER_LEO2H_DHG SER_LEO2_DHG C3H4N1O3 NA 0.81 1.00 SER_LEO2_DHG SER_LFOH C3H7N1O3 NA 0.84 1.00 SER_LFOH SER_LFOH_DHG C3H6N1O3 NA 0.83 1.00 SER_LFOH_DHG SER_LFZW C3H7N1O3 NA 0.83 1.00 SER_LFZW SER_LFZW_DHG C3H6N1O3 NA 0.81 1.00 SER_LFZW_DHG SER_LL C3H5N1O2 NA 0.00 0.00 SER_LL SER_LL_DHG C3H4N1O2 NA 0.00 0.00 SER_LL_DHG SER_LSN3 C3H7N1O2 NA 0.00 0.00 SER_LSN3 SER_LSN3_DHG C3H6N1O2 NA 0.00 0.00 SER_LSN3_DHG SES C10H18N2Se1 non-polymer 0.00 0.00 SES SET C3H8N2O2 L-peptide linking 0.00 0.00 SET SEU C3H8N2S1 non-polymer 0.00 0.00 SEU SEY C1H4N2Se1 non-polymer 0.00 0.00 SEY SF1 C22Cl1H16N1O2S1 non-polymer 0.00 0.00 SF1 SF2 C23Cl1H18N1O3S1 non-polymer 0.00 0.00 SF2 SF3 FE4S3 non-polymer 0.00 0.00 SF3 SF4 FE4S4 non-polymer 0.00 0.00 SF4 SF5 C18H23N3O5 non-polymer 0.97 0.15 SF5 SF6 C6H12O6 L-saccharide 1.00 1.00 SF6 SF7 C16F1H20N3O3 non-polymer 0.00 0.00 SF7 SF8 C17H24N2O14 non-polymer 0.71 0.91 SF8 SF9 C6H12O6 L-saccharide 1.00 1.00 SF9 SFA C60H91N5O13 non-polymer 0.39 0.14 SFA SFB C20H24N8O11S1 non-polymer 1.00 0.53 SFB SFC C34H53N7O17P3S1 non-polymer 1.00 0.37 SFC SFD C27H35N9O18P2S1 non-polymer 1.00 0.39 SFD SFE C9H11N1O2 peptide linking 0.00 0.00 SFE SFF C13H22N2O3S1 non-polymer 0.00 0.00 SFF SFG C15H23N7O5 non-polymer 1.00 0.37 SFG SFI C20F1H17O2S1 non-polymer 0.00 0.00 SFI SFJ C11F2H17N1O8 non-polymer 1.00 0.91 SFJ SFK C15H21N1O3 non-polymer 0.00 0.00 SFK SFL F4Sc1 non-polymer 0.00 0.00 SFL SFM C39H56N4O10 non-polymer 0.75 0.17 SFM SFN H1O3S1 non-polymer 0.00 0.00 SFN SFO H3O3S1 non-polymer 0.00 0.00 SFO SFP C44H34N4O12S4 non-polymer 0.00 0.00 SFP SFQ C13H10I1N1O4S1 non-polymer 0.00 0.00 SFQ SFR C12H17N1O6S1 non-polymer 0.64 0.45 SFR SFS Fe4Se4 non-polymer 0.00 0.00 SFS SFT C48H93N1O12S1 non-polymer 1.00 0.37 SFT SFU C7H14O4Se1 non-polymer 1.00 0.83 SFU SFX C17F3H18N1O1 non-polymer 0.00 0.00 SFX SFY C11H11N3O2S1 non-polymer 0.00 0.00 SFY SG1 C10H11N3O5S1 non-polymer 0.00 0.00 SG1 SG2 C8H8N2O3S2 non-polymer 0.00 0.00 SG2 SG3 C6F1H12O5P1 non-polymer 0.65 0.54 SG3 SG4 C10H17N1O10S1 saccharide 1.00 0.55 SG4 SG5 C15H25N1O11S1 saccharide 1.00 0.86 SG5 SG6 C8H15N1O9S1 saccharide 1.00 0.63 SG6 SG7 C10H17N1O10S1 saccharide 1.00 0.55 SG7 SG8 C28Cl1F2H26N3O1S1 non-polymer 0.00 0.00 SG8 SG9 C63Cl1H95O21 non-polymer 0.50 0.06 SG9 SGA C6H12O9S1 saccharide 1.00 0.75 SGA SGB C7H16N1O5P1 L-peptide linking 0.83 0.86 SGB SGC C6H12O5S1 D-saccharide 1.00 0.92 SGC SGD C6H12O5S1 saccharide 1.00 0.92 SGD SGE C20H15N1O4 non-polymer 0.00 0.00 SGE SGF C24H47N1O10S1 non-polymer 1.00 0.58 SGF SGI C9H11N1O2 non-polymer 0.00 0.00 SGI SGJ C6H13N1O3S1 non-polymer 1.00 0.91 SGJ SGL C3H8O3S1 non-polymer 0.00 0.00 SGL SGM C3H8O2S1 non-polymer 0.00 0.00 SGM SGN C6H13N1O11S2 saccharide 1.00 0.60 SGN SGP C10H12N5O6P1S1 non-polymer 1.00 0.43 SGP SGR C4H11N2O5P1 non-polymer 0.88 0.83 SGR SGS C17H22O10 D-saccharide 1.00 0.44 SGS SGT C10H16N5O12P3S1 non-polymer 1.00 0.29 SGT SGV C12H15N5O5 non-polymer 1.00 0.45 SGV SGW C16Cl1H12N1O2 non-polymer 0.00 0.00 SGW SGX C4H11N2O5P1 non-polymer 0.88 0.83 SGX SH0 C42H52N4O16 non-polymer 0.00 0.00 SH0 SH1 C20H34N6O6S1 non-polymer 0.52 0.52 SH1 SH2 C18H26N2O6 non-polymer 0.65 0.38 SH2 SH3 C18H27N2O9P1 non-polymer 0.62 0.33 SH3 SH4 C17H19N1O4P1 non-polymer 0.00 0.00 SH4 SH5 Br1C18H27N5O8P1 non-polymer 1.00 0.48 SH5 SH6 Br1C8H15O2 non-polymer 0.00 0.00 SH6 SHA C7H7N1O3 non-polymer 0.00 0.00 SHA SHB C7H12O7 saccharide 1.00 0.93 SHB SHC C9H19N1O2S1 L-peptide linking 0.00 0.00 SHC SHD C6H12O6 D-saccharide 1.00 1.00 SHD SHF C5H8O3 non-polymer 0.00 0.00 SHF SHG C6F1H11O5 saccharide 1.00 0.92 SHG SHH C14H20N2O3 non-polymer 0.00 0.00 SHH SHI C6H8N2O4 non-polymer 0.00 0.00 SHI SHL C7H6O5 non-polymer 1.00 1.00 SHL SHM C11H18N2O3S1 non-polymer 0.00 0.00 SHM SHO C5H10O3 non-polymer 0.00 0.00 SHO SHP C20H29N1O13 L-peptide linking 1.00 0.68 SHP SHR C11H20N2O6 L-peptide linking 0.68 0.53 SHR SHT C13H24N1O10P1S3 non-polymer 0.67 0.50 SHT SHU C7H10O4 non-polymer 0.00 0.00 SHU SHV C7H14O2 non-polymer 0.00 0.00 SHV SHW C19H37N2O9P1S1 non-polymer 0.62 0.31 SHW SHX C19Cl1H18N5O1 non-polymer 0.00 0.00 SHX SHY C24H24N4O5 non-polymer 0.00 0.00 SHY SI0 C26Cu1H37N6O5S1 non-polymer 0.00 0.00 SI0 SI1 C18H29N5O5S1 non-polymer 0.47 0.41 SI1 SI2 C11H19N1O9 non-polymer 1.00 1.00 SI2 SI3 C11H19N1O9 D-saccharide 0.98 1.00 SI3 SI4 C27Cu1H38N6O2S1 non-polymer 0.00 0.00 SI4 SI5 C17F2H18N4O1S1 non-polymer 0.00 0.00 SI5 SI6 C16F2H16N4O1S1 non-polymer 0.00 0.00 SI6 SI7 C26Cu1H36N6O3S1 non-polymer 0.00 0.00 SI7 SI8 C26Cu1H37N6O4S1 non-polymer 0.00 0.00 SI8 SI9 C28Cu1H40N6O2S1 non-polymer 0.00 0.00 SI9 SIA C11H19N1O9 D-saccharide 1.00 1.00 SIA SIB C14H19N5O6S1 L-peptide linking 1.00 0.35 SIB SIC C7H10N2O4S1 L-peptide linking 1.00 0.57 SIC SID C14H23N1O9S1 non-polymer 1.00 0.80 SID SIE C24H33N3O6S2 non-polymer 0.00 0.00 SIE SIF C7H14O4Si1 non-polymer 0.96 0.67 SIF SIG C30H42O5 non-polymer 0.50 0.31 SIG SIH C25H34O6 non-polymer 0.96 0.26 SIH SII C28F1H34N5O2 non-polymer 0.00 0.00 SII SIJ C14H20N6 non-polymer 0.00 0.00 SIJ SIL C12H23O5P1 non-polymer 0.44 0.22 SIL SIM C25H40O6 non-polymer 0.90 0.26 SIM SIN C4H6O4 non-polymer 0.97 1.00 SIN SIO C16H25N1O11 saccharide 1.00 0.86 SIO SIR C42Co1H44N4O16 non-polymer 0.00 0.00 SIR SIS C19H37N5O7 non-polymer 1.00 0.68 SIS SIX C26F1H29N4O4 non-polymer 0.00 0.00 SIX SIZ C8F2H13N1O6 D-saccharide 1.00 0.88 SIZ SJ1 C17H32N6O6 non-polymer 0.58 0.93 SJ1 SJ5 C6H11N1O4 non-polymer 1.00 1.00 SJ5 SJJ C17H15N3O3 non-polymer 0.00 0.00 SJJ SJP C27F1H52N7O11 non-polymer 1.00 0.43 SJP SJR C13H12N2O2 non-polymer 0.00 0.00 SJR SJZ C22H18O3 non-polymer 0.44 0.24 SJZ SK1 C21H27N5O5S1 non-polymer 0.47 0.38 SK1 SK2 C19H21N3O6S1 non-polymer 0.00 0.00 SK2 SK3 C12H17N1O4 non-polymer 1.00 0.59 SK3 SK4 C18H17N3O4S1 non-polymer 0.00 0.00 SK4 SK6 C22H23N5 non-polymer 0.00 0.00 SK6 SK7 C10H14N2O4 non-polymer 1.00 0.94 SK7 SK8 C16F1H12N3S1 non-polymer 0.00 0.00 SK8 SKA C9Cl2H9N1 non-polymer 0.00 0.00 SKA SKD C11H17N1O8 non-polymer 1.00 1.00 SKD SKE C15F2H12N6O3S1 non-polymer 0.00 0.00 SKE SKF C9H12N2O2S1 non-polymer 0.00 0.00 SKF SKH C12H22N2O6 L-peptide linking 0.62 0.45 SKH SKK C19H25N7O2 non-polymer 0.42 0.29 SKK SKM C7H10O5 non-polymer 0.00 0.00 SKM SKO C17H25N5 non-polymer 0.30 0.27 SKO SKP C10H16O14P2 non-polymer 0.85 0.27 SKP SKT C16H16O7 non-polymer 0.38 0.26 SKT SKY C18H19N3O5 non-polymer 1.00 0.46 SKY SKZ C16Fe1H22N4O9 non-polymer 0.00 0.00 SKZ SL0 C25H24O12 non-polymer 1.00 0.30 SL0 SL1 C30H33N7O5S1 non-polymer 0.36 0.21 SL1 SL2 C19H28N6O11P2 non-polymer 1.00 0.24 SL2 SL3 C19H28N6O11P2 non-polymer 1.00 0.24 SL3 SL5 C8H15N1O5 non-polymer 0.75 0.36 SL5 SL6 C23Cl1H30N1O4 non-polymer 0.95 0.41 SL6 SLA C10H17N1O4 non-polymer 1.00 0.87 SLA SLB C11H19N1O9 D-saccharide 1.00 1.00 SLB SLC C9H13N1O3Se1 non-polymer 0.33 0.43 SLC SLD C25F1H28N5O6 non-polymer 1.00 0.41 SLD SLE C7H14O2S1 non-polymer 0.00 0.00 SLE SLF C42H81N1O11S1 non-polymer 1.00 0.38 SLF SLH C25H35N5O2 non-polymer 0.00 0.00 SLH SLI C13H11N1O2 non-polymer 0.00 0.00 SLI SLL C10H18N2O5 L-peptide linking 0.00 0.00 SLL SLM C11H20N2O8 non-polymer 1.00 1.00 SLM SLN C18H29N7O11P2 non-polymer 0.00 0.00 SLN SLO C20F1H17O4S1 non-polymer 0.00 0.00 SLO SLP C3H6O2Se1 non-polymer 0.00 0.00 SLP SLQ C24H29N7O1 non-polymer 0.50 0.31 SLQ SLR C10H17N1O5 D-peptide linking 1.00 0.88 SLR SLT C23H39N1O19 non-polymer 1.00 1.00 SLT SLU C21H18N8O8S3 non-polymer 1.00 0.35 SLU SLX C19H21N1O4 non-polymer 0.00 0.00 SLX SLZ C5H12N2O2S1 L-peptide linking 0.00 0.00 SLZ SM SM1 non-polymer 0.00 0.00 SM SM1 C21H28N6O5S1 non-polymer 0.47 0.36 SM1 SM2 B1C14H14N1O5S1 non-polymer 0.00 0.00 SM2 SM3 B1C13H14N1O3S1 non-polymer 0.00 0.00 SM3 SM4 B1C16H16N1O5S1 non-polymer 0.44 0.25 SM4 SM5 C22H23N5O1 non-polymer 0.00 0.00 SM5 SM6 C19H17N3O3S1 non-polymer 0.75 0.19 SM6 SM7 C23H20N6 non-polymer 0.00 0.00 SM7 SM8 C46Cl1H42N1O18 non-polymer 1.00 0.70 SM8 SM9 C31H43N5O4S1 non-polymer 0.50 0.15 SM9 SMA C30H42O7 non-polymer 0.55 0.46 SMA SMB C5H10O2 non-polymer 0.70 1.00 SMB SMC C4H9N1O2S1 L-peptide linking 0.00 0.00 SMC SMD C13H24O10S1 non-polymer 1.00 0.92 SMD SME C5H11N1O3S1 L-peptide linking 0.00 0.00 SME SMF C10H13N1O5S1 L-peptide linking 0.00 0.00 SMF SMG C9H15N1O5S1 non-polymer 0.62 0.88 SMG SMH C28H38N2O7S1 non-polymer 0.50 0.16 SMH SMI C14H26N2O8 non-polymer 1.00 0.92 SMI SMK C29H39N5O3 non-polymer 0.00 0.00 SMK SML C7H8O2S1 non-polymer 0.00 0.00 SML SMM C16H26N6O5S1 non-polymer 1.00 0.57 SMM SMN C8H8O3 non-polymer 0.00 0.00 SMN SMO H1O2S1 non-polymer 0.00 0.00 SMO SMP C11H16N5O5P1 DNA linking 1.00 0.41 SMP SMQ C37H38O15 non-polymer 1.00 0.67 SMQ SMR C29H40N4O5S1 non-polymer 0.50 0.15 SMR SMS C9H15N1O10S2 non-polymer 1.00 0.55 SMS SMT C13H21N2O9P1S1 RNA linking 1.00 0.69 SMT SMX C18H18N6O5S2 non-polymer 0.00 0.00 SMX SMY C22H26N6O1S1 non-polymer 0.00 0.00 SMY SMZ C7H15N3O2S1 non-polymer 0.43 0.77 SMZ SN0 C9H15N1O5 non-polymer 0.62 0.93 SN0 SN1 C9H8O4 non-polymer 0.44 0.46 SN1 SN2 C11Cl2H12N4O5 non-polymer 0.00 0.00 SN2 SN3 C26Cl1H43N6O10S1 non-polymer 0.81 0.16 SN3 SN5 C8H15N1O5S1 non-polymer 1.00 0.80 SN5 SN6 C29H27N5O1 non-polymer 0.00 0.00 SN6 SN7 C29H29N7O1 non-polymer 0.00 0.00 SN7 SN8 C30H47N5O1 non-polymer 0.00 0.00 SN8 SN9 C30H47N5O2 non-polymer 0.00 0.00 SN9 SNA C32F4H41N5O13P2S1 non-polymer 0.00 0.00 SNA SNB Br1C16Cl1H13N1O1 non-polymer 0.00 0.00 SNB SNC C3H6N2O3S1 L-peptide linking 0.00 0.00 SNC SND C21H27N7O13P2S1 non-polymer 1.00 0.52 SND SNE C10H16 non-polymer 0.00 0.00 SNE SNF C15H16N4Ni1 non-polymer 0.00 0.00 SNF SNG C9H17N1O5Se1 non-polymer 1.00 0.88 SNG SNH C19H17N1O5S3 non-polymer 0.62 0.11 SNH SNI C10H12N4O4Se1 non-polymer 1.00 0.53 SNI SNL C24H32O4S1 non-polymer 0.00 0.00 SNL SNM C5H11N1O3 non-polymer 0.84 0.78 SNM SNN C4H6N2O2 L-peptide linking 1.00 1.00 SNN SNO C8H7N1O3 non-polymer 0.00 0.00 SNO SNP C16H21N1O2 non-polymer 0.58 0.47 SNP SNR C9H14N2O3S1 non-polymer 0.00 0.00 SNR SNS C27F2H31N5O2 non-polymer 0.00 0.00 SNS SNT C23H27N5 non-polymer 0.00 0.00 SNT SNU C10H10N2 non-polymer 0.00 0.00 SNU SNW C11H20N2O8 non-polymer 1.00 0.57 SNW SNX C22H23N3O3 non-polymer 0.50 0.18 SNX SNY C11H12O4 non-polymer 0.50 0.20 SNY SO1 C27H42O8 non-polymer 1.00 0.91 SO1 SO2 O2S1 non-polymer 0.00 0.00 SO2 SO3 O3S1 non-polymer 0.00 0.00 SO3 SO4 O4S1 non-polymer 0.00 0.00 SO4 SO5 C24H40N7O21P3S1 non-polymer 1.00 0.62 SO5 SO8 C16H25N7O4 non-polymer 1.00 0.37 SO8 SOA C7H9N1O1 non-polymer 0.00 0.00 SOA SOC C3H7N1O4Se1 L-peptide linking 0.00 0.00 SOC SOD C29Cl1H39O6 non-polymer 1.00 0.61 SOD SOE C6H12O6 L-saccharide 1.00 1.00 SOE SOF C25H33N3O2 non-polymer 0.00 0.00 SOF SOG C14H28O5S1 non-polymer 1.00 0.55 SOG SOH H1O4S1 non-polymer 0.00 0.00 SOH SOL C6H12O6 L-saccharide 1.00 1.00 SOL SOM C1H5O2P1 non-polymer 0.00 0.00 SOM SON C12H16N5O8P1 non-polymer 1.00 0.50 SON SOO C19H35N2O8P1S1 non-polymer 0.62 0.52 SOO SOP C24H40N7O17P3S1 non-polymer 1.00 0.44 SOP SOR C6H14O6 non-polymer 0.98 1.00 SOR SOS C18H24N5O7P1 DNA linking 1.00 0.58 SOS SOT C4H9N1O4S1 non-polymer 0.00 0.00 SOT SOX C16H20N2O5S1 non-polymer 0.00 0.00 SOX SOY C22H26N4O8S1 L-peptide linking 0.83 0.20 SOY SP0 C19F2H13N3O2S2 non-polymer 0.00 0.00 SP0 SP1 C10H12N5O5P1S1 non-polymer 1.00 0.45 SP1 SP2 C41H62O1 non-polymer 0.60 0.64 SP2 SP3 C21F7H12N3O2S2 non-polymer 0.00 0.00 SP3 SP5 C12H28N4O1 non-polymer 0.00 0.00 SP5 SP6 C21H16N2O4S1 non-polymer 0.40 0.25 SP6 SP7 C10H23N3O1 non-polymer 0.00 0.00 SP7 SP8 C15H25N3O1 non-polymer 0.45 0.37 SP8 SP9 C15H25N3O1 non-polymer 0.45 0.37 SP9 SPA C6H6O2S1 non-polymer 0.00 0.00 SPA SPB C19H19N1O3 non-polymer 0.25 0.09 SPB SPC C13H19N3O6S1 non-polymer 0.00 0.00 SPC SPD C7H19N3 non-polymer 0.00 0.00 SPD SPE C9H24N4 non-polymer 0.00 0.00 SPE SPF C32H44N7O20P3S1 non-polymer 1.00 0.22 SPF SPG C10H15N4O10P2S1 non-polymer 1.00 0.37 SPG SPH C18H37N1O2 non-polymer 0.61 0.48 SPH SPI C20H23N3O7S1 non-polymer 0.00 0.00 SPI SPJ C12H30N4 non-polymer 0.00 0.00 SPJ SQ1 C26Cu1H36N6O2S1 non-polymer 0.00 0.00 SQ1 SQZ C24F1H16N5O1 non-polymer 0.00 0.00 SQZ SR0 C7H22N3 non-polymer 0.00 0.00 SR0 SR8 C19H20N4O3 non-polymer 0.38 0.08 SR8 SS9 C8H20N2S1 non-polymer 0.00 0.00 SS9 SSK C14H16N2 non-polymer 0.00 0.00 SSK STH C8H9N1O2S1 non-polymer 0.00 0.00 STH STI C29H31N7O1 non-polymer 0.00 0.00 STI STJ C18F3H13N4O2 non-polymer 0.00 0.00 STJ STL C14H12O3 non-polymer 0.20 0.29 STL STM C25H22N4O7 non-polymer 0.97 0.11 STM STN C8H15N1O4 non-polymer 0.54 0.77 STN STO C28H26N4O3 non-polymer 0.00 0.00 STO STP C10H16N5O11P3S1 non-polymer 1.00 0.30 STP STR C21H30O2 non-polymer 0.00 0.00 STR STS C15H16N3S1 non-polymer 0.00 0.00 STS STT C6H9N1O4S3 non-polymer 0.00 0.00 STT STU C28H26N4O3 non-polymer 0.00 0.00 STU STW C24H42O21 non-polymer 1.00 1.00 STW STX C9H15N3O2 non-polymer 0.50 0.64 STX STY C9H11N1O6S1 L-peptide linking 0.00 0.00 STY STZ C8H15N3O7 non-polymer 1.00 0.83 STZ SU0 C18H16N2O6S1 non-polymer 0.00 0.00 SU0 SU1 C17H16N2O3 non-polymer 0.00 0.00 SU1 SU2 C20H21N3O2 non-polymer 0.00 0.00 SU2 SU3 C38H55N5O9S1 non-polymer 0.38 0.04 SU3 SU4 C18H21N1O4S1 non-polymer 0.00 0.00 SU4 SU6 C18H18N2O3 non-polymer 0.00 0.00 SU6 SU8 C8H14O4 non-polymer 0.71 0.83 SU8 SU9 C13H11N3O2 non-polymer 0.00 0.00 SU9 SUA C13H14N2O3S3 non-polymer 0.00 0.00 SUA SUB C23H28N2O5S2 L-peptide linking 0.55 0.25 SUB SUC C12H22O11 saccharide 1.00 1.00 SUC SUD C14H26N3O17P3 non-polymer 1.00 0.59 SUD SUE C38H50N6O9S1 non-polymer 0.38 0.04 SUE SUF C4H14O7P2S1 non-polymer 0.00 0.00 SUF SUG C10H18N4O5 non-polymer 0.62 0.74 SUG SUH C5H8O4 non-polymer 0.80 1.00 SUH SUI C6H8N2O4 L-peptide linking 1.00 0.67 SUI SUJ C9H16N2O5 non-polymer 1.00 1.00 SUJ SUL O4S1 non-polymer 0.00 0.00 SUL SUM C20H38O11 non-polymer 1.00 0.74 SUM SUN C7H17N2O5P1 L-peptide linking 0.83 0.93 SUN SUO C9H16N2O5 non-polymer 0.62 0.88 SUO SUP C12H23O14P1 D-saccharide 1.00 0.85 SUP SUR C9H13N2O8P1S1 RNA linking 1.00 0.48 SUR SUS C6H13N1O14S3 D-saccharide 1,4 and 1,4 linking 1.00 0.50 SUS SUV C23Cl1H23N6O2 non-polymer 0.00 0.00 SUV SUW C23H28N2O9 non-polymer 1.00 0.68 SUW SUY C17Cl1H18N7S1 non-polymer 0.00 0.00 SUY SUZ C20F1H17O3S1 non-polymer 0.00 0.00 SUZ SV1 C17H17N1O3 non-polymer 0.42 0.38 SV1 SV2 C11H19N5O9P2 non-polymer 0.61 0.26 SV2 SV6 C36H55N7O6 peptide-like 0.38 0.33 SV6 SV7 C6H7O3P1 non-polymer 0.00 0.00 SV7 SVA C3H7N1O7V1 L-peptide linking 0.83 0.58 SVA SVB C17Cl3H17N4O2S2 non-polymer 0.00 0.00 SVB SVC C20H40N6O4 non-polymer 0.43 0.30 SVC SVE C35F3H39N8O3 non-polymer 0.00 0.00 SVE SVF C14F1H18N1O1 non-polymer 0.00 0.00 SVF SVN C6H5N3S1 non-polymer 0.00 0.00 SVN SVP C29Cl1H46N3O2P1Pd1S1 non-polymer 0.38 0.16 SVP SVQ C20Cl2H19N1O3 non-polymer 0.00 0.00 SVQ SVR C51H40N6O23S6 non-polymer 0.00 0.00 SVR SVS C18H22N6O6S1 non-polymer 1.00 0.32 SVS SVV C3H9N2O5P1 L-peptide linking 0.83 0.64 SVV SVW C3H9N2O5P1 L-peptide linking 0.83 0.64 SVW SVX C6H14N1O5P1 L-peptide linking 0.83 0.92 SVX SVY C9H20N1O6P1 L-peptide linking 0.83 0.94 SVY SVZ C6H15N2O5P1 L-peptide linking 0.83 0.86 SVZ SW1 C8H8N2S2 non-polymer 0.00 0.00 SW1 SW2 C11H12N2 non-polymer 0.00 0.00 SW2 SW3 C6H11N3 non-polymer 0.00 0.00 SW3 SW4 C14H20N2O2 non-polymer 0.00 0.00 SW4 SWA C8H15N1O3 non-polymer 1.00 0.83 SWA SWE C12H22O11 non-polymer 1.00 1.00 SWE SWF C19H16O4 non-polymer 0.00 0.00 SWF SWG C16H16N4O4 L-peptide linking 0.00 0.00 SWG SWH B1C24F1H20N1O6S1 non-polymer 0.00 0.00 SWH SWI C78H132O20 non-polymer 0.00 0.00 SWI SWX C11H10N2O1 non-polymer 0.00 0.00 SWX SWY C29H23N5O3S1 non-polymer 0.00 0.00 SWY SX O1S1 non-polymer 0.00 0.00 SX SX0 Br1C15H20N5O5S1 non-polymer 1.00 0.33 SX0 SX1 Br1C7H6N1O2 non-polymer 0.00 0.00 SX1 SX2 Br1C9H9N2O3 non-polymer 0.00 0.00 SX2 SX3 Br1C14H19N2O1 non-polymer 0.00 0.00 SX3 SX4 Br1C18Cl1H18N2O1 non-polymer 0.00 0.00 SX4 SX5 Br1C18H23N2O4 non-polymer 0.00 0.00 SX5 SX6 Br1C22H30N3O4 non-polymer 0.00 0.00 SX6 SX7 C21H22N6O1 non-polymer 0.50 0.14 SX7 SX8 C18H13N7S1 non-polymer 0.00 0.00 SX8 SXA C13H25N2O8P1S1 non-polymer 0.62 0.40 SXA SXC Br1C21H27N1O5P1Pd1S2 non-polymer 0.00 0.00 SXC SXD C17H31N2O9P1S1 non-polymer 0.62 0.33 SXD SXE C8H19N2O5P1 L-peptide linking 0.83 0.94 SXE SXH C17H33N2O8P1S1 non-polymer 0.62 0.34 SXH SXI C17Cl1H20N5O3 non-polymer 0.00 0.00 SXI SXJ C31H43N1O4 non-polymer 0.00 0.00 SXJ SXK C14F2H10O3 non-polymer 0.00 0.00 SXK SXM C14H25N2O10P1S1 non-polymer 0.62 0.36 SXM SXN C61H92O9 non-polymer 1.00 0.47 SXN SXO C19H37N2O8P1S1 non-polymer 0.62 0.32 SXO SXR C22H35N2O7P1S1 non-polymer 0.62 0.30 SXR SXS C7H6N2O3S1 non-polymer 0.00 0.00 SXS SXV C15H29N2O8P1S1 non-polymer 0.62 0.37 SXV SXX C11H12O5 non-polymer 0.58 0.31 SXX SXZ C19H28N6O6S1 non-polymer 1.00 0.28 SXZ SY1 C21H21N5O1 non-polymer 0.00 0.00 SY1 SY2 C24H41N5O6 non-polymer 0.59 0.23 SY2 SY9 C21H22N2O2 non-polymer 0.00 0.00 SY9 SYC C6H8N1O3P1 non-polymer 0.00 0.00 SYC SYD C12H12N1O3P1 non-polymer 0.00 0.00 SYD SYE C10H10N1O3P1 non-polymer 0.00 0.00 SYE SYM C6H10N1O4 non-polymer 0.62 1.00 SYM SYN C8H8 non-polymer 0.38 0.25 SYN SYO C19H37N2O8P1S1 non-polymer 0.62 0.32 SYO SYP C11H19N5O1S1 non-polymer 0.00 0.00 SYP SYR C10H12O5 non-polymer 0.97 0.27 SYR SYS C5H10N2O3Se1 L-peptide linking 0.00 0.00 SYS SYT C20H20N1O4 non-polymer 0.00 0.00 SYT SYY C12H11N1O3S2 non-polymer 0.97 0.22 SYY SZ0 C21H27N3O5S1 peptide-like 0.00 0.00 SZ0 SZ1 C7H15N1 non-polymer 0.00 0.00 SZ1 SZ3 C6H13N1O1 non-polymer 0.00 0.00 SZ3 SZ4 C8H11N1O1 non-polymer 0.00 0.00 SZ4 SZ5 C15H12N2O1 non-polymer 0.00 0.00 SZ5 SZ6 C28Cl1F2H23N4O4 non-polymer 0.00 0.00 SZ6 SZ8 C7H14N2O2 non-polymer 0.56 0.64 SZ8 SZ9 C7H11N1O1 non-polymer 0.00 0.00 SZ9 SZC C19F3H18N3O2S1 non-polymer 0.00 0.00 SZC SZH C13F3H25N2O9P2 non-polymer 0.62 0.55 SZH SZL C6H6N4O1 non-polymer 0.00 0.00 SZL SZZ C10H17N1O9S2 non-polymer 1.00 0.68 SZZ T C10H15N2O8P1 DNA linking 1.00 0.81 T T00 C19H24N2O3 peptide-like 0.00 0.00 T00 T01 C20F1H25N3O13P1 non-polymer 0.83 0.76 T01 T03 C9F1H8N3S1 non-polymer 0.00 0.00 T03 T04 C23F1H20N3O6S2 non-polymer 0.68 0.34 T04 T05 C24H25N3O7S1 non-polymer 1.00 0.26 T05 T07 C9Cl2H8N4S1 non-polymer 0.00 0.00 T07 T08 C26H38O5 non-polymer 0.98 0.55 T08 T0E C24F1H25N4O4 non-polymer 0.00 0.00 T0E T0I C12H13N3O4 L-peptide linking 0.00 0.00 T0I T0M C9H10Hg1O2S1 non-polymer 0.00 0.00 T0M T0R C26Cl1H28N1O1 non-polymer 0.50 0.17 T0R T0T C19H22N1O6P1 DNA linking 0.25 0.07 T0T T10 C27H28N2O5 non-polymer 0.56 0.62 T10 T11 C11F3H12N3O2 L-peptide linking 0.00 0.00 T11 T12 C22H24N4O6 non-polymer 0.90 0.12 T12 T13 C13F6H7N1O3S1 non-polymer 0.00 0.00 T13 T14 C23F6H19N3O1 non-polymer 0.00 0.00 T14 T15 C26H34N6O5S1 non-polymer 0.39 0.13 T15 T16 B1Br2C23H32N3O6 non-polymer 0.00 0.00 T16 T17 C42H68N6O13 non-polymer 1.00 0.16 T17 T18 C25F2H19N3O6S2 non-polymer 0.00 0.00 T18 T19 B1C32H34N3O6 peptide-like 0.00 0.00 T19 T1A As1C8H20 non-polymer 0.00 0.00 T1A T1C C29H41N5O8 non-polymer 0.39 0.12 T1C T1D C15H14N2O4S1 non-polymer 0.00 0.00 T1D T1G C26H40N7O18P3S1 non-polymer 1.00 0.42 T1G T1N C14H14O2S1 non-polymer 0.46 0.47 T1N T1O C13H21N3O3S1 non-polymer 0.00 0.00 T1O T1P C13H21N4O11P1 non-polymer 0.97 0.34 T1P T1Q C20F2H23N5O4S1 non-polymer 0.00 0.00 T1Q T20 C26H25N5O3 non-polymer 0.00 0.00 T20 T21 C14F3H8N1O2 non-polymer 0.00 0.00 T21 T22 C18H21N5O2 non-polymer 1.00 0.36 T22 T23 C12H19N2O8P1 non-polymer 1.00 0.78 T23 T24 C18H30O3 non-polymer 0.42 0.62 T24 T25 C18H32O3 non-polymer 0.38 0.29 T25 T26 C23H21N3O6S2 non-polymer 0.68 0.35 T26 T27 C22H18N6 non-polymer 0.17 0.11 T27 T28 Br1C15H13N4 non-polymer 0.00 0.00 T28 T29 B1C22H34N5O5S1 non-polymer 0.00 0.00 T29 T2A C21H21N5O3 non-polymer 0.00 0.00 T2A T2B C15H15I2N1O3 non-polymer 0.00 0.00 T2B T2D C8H8N2O3S1 non-polymer 0.00 0.00 T2D T2M C7H13N3O2 non-polymer 0.57 0.83 T2M T2P C13H21N4O11P1 non-polymer 0.97 0.34 T2P T2S C10H15N2O6P1S2 DNA linking 1.00 0.81 T2S T2T C25H36N5O13P1 RNA linking 1.00 0.61 T2T T3 C15H12I3N1O4 non-polymer 0.00 0.00 T3 T30 C21F4H19N3O1 non-polymer 0.36 0.14 T30 T31 C9H13N2O8P1S1 RNA linking 1.00 0.48 T31 T32 C12H19N2O7P1 DNA linking 1.00 0.82 T32 T33 C15H13I2N1O4 non-polymer 0.00 0.00 T33 T34 C15H16N2O2 non-polymer 0.00 0.00 T34 T35 C33H35N3O9 non-polymer 0.81 0.16 T35 T36 C10H15N2O7P1 DNA linking 1.00 0.45 T36 T37 C10H16N3O7P1 DNA linking 1.00 0.81 T37 T38 C13H21N2O10P1 RNA linking 1.00 0.69 T38 T39 C13H21N2O10P1 RNA linking 1.00 0.85 T39 T3A C7H17N1O6S1 non-polymer 0.72 0.53 T3A T3C C21H24N8S1 non-polymer 0.00 0.00 T3C T3E C16H15N7O2S2 non-polymer 0.00 0.00 T3E T3F C16H27N3O14P2 non-polymer 1.00 0.80 T3F T3M C20H19N3O5 non-polymer 0.00 0.00 T3M T3O C17H22O2 non-polymer 0.00 0.00 T3O T3P C10H15N2O8P1 DNA linking 1.00 0.81 T3P T3Q C16H27N3O14P2 non-polymer 1.00 0.80 T3Q T3S C15H23N3O4 non-polymer 1.00 0.41 T3S T3Y C28H24O16S4 non-polymer 0.00 0.00 T3Y T40 C21H23N3O1 non-polymer 0.00 0.00 T40 T41 C11H17N2O9P1 RNA linking 1.00 0.78 T41 T42 B1C30H39N4O7 peptide-like 0.56 0.12 T42 T44 C15H11I4N1O4 non-polymer 0.00 0.00 T44 T45 C4H5N3O2 non-polymer 0.97 0.44 T45 T46 C16H24N2O15P2 non-polymer 1.00 0.80 T46 T48 C11H17N2O8P1 DNA linking 1.00 0.82 T48 T49 C10H15N2O7P1S1 DNA linking 1.00 0.81 T49 T4A C14H8I4O4 non-polymer 0.00 0.00 T4A T4B C31H26N2O3 non-polymer 0.00 0.00 T4B T4E C15Cl1H11N4O1 non-polymer 0.00 0.00 T4E T4F C25H46N4O5S1 non-polymer 0.00 0.00 T4F T4G C16H15N5 non-polymer 0.00 0.00 T4G T4K C24H35N4O19P3 non-polymer 1.00 0.56 T4K T4P C13H21N4O11P1 non-polymer 0.97 0.34 T4P T4S C10H15N2O7P1Se1 DNA linking 1.00 0.43 T4S T50 C21F4H14N2 non-polymer 0.00 0.00 T50 T51 C34H35N5O5 non-polymer 0.00 0.00 T51 T53 C34H35N5O5 non-polymer 0.00 0.00 T53 T55 C10H20O2 non-polymer 0.00 0.00 T55 T57 C28F1H40N4O14P1 non-polymer 0.68 0.60 T57 T5A C20H30N7O23P5 non-polymer 1.00 0.49 T5A T5C C32H39N2O12S4 non-polymer 0.38 0.04 T5C T5E C50H80N12O4 non-polymer 0.00 0.00 T5E T5F C25H44N4O5S1 non-polymer 0.00 0.00 T5F T5J C17F1H15N2O1 non-polymer 0.00 0.00 T5J T5K C24H35N4O19P3 non-polymer 1.00 0.56 T5K T5M C19H21N1O2 non-polymer 0.38 0.09 T5M T5O C10H15N2O9P1 DNA linking 1.00 0.77 T5O T5P C13H21N4O11P1 non-polymer 0.97 0.34 T5P T5S C10H15N2O8P1Se1 DNA linking 1.00 0.41 T5S T5X C17H30N4O15P3S1 non-polymer 1.00 0.30 T5X T61 C14Cl1H11N2O3 non-polymer 0.00 0.00 T61 T62 C16H13N5O2 non-polymer 0.00 0.00 T62 T64 C20H28N4O15P2 DNA linking 1.00 0.51 T64 T65 C18H31N1O3 non-polymer 0.57 0.64 T65 T66 C15H25N5O5 L-peptide linking 1.00 0.36 T66 T68 C13H17N3O7 non-polymer 1.00 0.65 T68 T6A C15H21N6O11P1 RNA linking 1.00 0.55 T6A T6C C6Cl3H3O1 non-polymer 0.00 0.00 T6C T6D C22H40O12 D-saccharide 1.00 0.79 T6D T6E C20F4H13N5O1S1 non-polymer 0.00 0.00 T6E T6F C18H32N4O16P3S1 non-polymer 1.00 0.33 T6F T6K C16H26N2O15P2 non-polymer 1.00 0.80 T6K T6P C12H23O14P1 saccharide 1.00 0.85 T6P T6Q C23H26N8O1S1 non-polymer 0.00 0.00 T6Q T6T C6H12O6 D-saccharide 1.00 1.00 T6T T6Z C11H12N1O4P1 non-polymer 0.00 0.00 T6Z T73 C17H22O3 non-polymer 0.00 0.00 T73 T74 C29H38N8O1 non-polymer 0.60 0.16 T74 T75 C24H21N3O1S1 non-polymer 0.00 0.00 T75 T76 C25Cl1H33N4O5 non-polymer 0.00 0.00 T76 T77 C26H29N5O1S2 non-polymer 0.50 0.15 T77 T7M C46H82O16P2 non-polymer 1.00 0.62 T7M T7O C16H14O4 non-polymer 0.46 0.40 T7O T7X C47H83O13P1 non-polymer 1.00 0.66 T7X T7Z C21H23N7O3S2 non-polymer 0.00 0.00 T7Z T80 C29H58O7 non-polymer 0.88 0.58 T80 T86 C15Cl2H12N2O4 non-polymer 0.00 0.00 T86 T87 C29H31N7O3 non-polymer 0.81 0.18 T87 T88 C22Cl2H30N2O4S1 non-polymer 0.00 0.00 T88 T8B C32H24O12 non-polymer 0.97 0.23 T8B T8G C18H27N1O6S1 non-polymer 0.50 0.35 T8G T8L C4H10N1O5P1S1 L-peptide linking 0.67 0.67 T8L T8N C7H8O6 non-polymer 0.93 1.00 T8N T8T C10H16N5O12P3S1 non-polymer 1.00 0.29 T8T T8X C56H104O16S1 non-polymer 1.00 0.42 T8X T90 C20H21N3O2S1 non-polymer 0.62 0.12 T90 T92 C24Cl1H25N6O2 non-polymer 0.58 0.15 T92 T93 C12H22N2O7P2 non-polymer 0.00 0.00 T93 T94 C15H22O4 non-polymer 0.00 0.00 T94 T95 C33H38N6O4 non-polymer 1.00 0.26 T95 T97 C22Cl2H30N2O4S1 non-polymer 0.57 0.32 T97 T98 C16H15N3O1S1 non-polymer 0.00 0.00 T98 T99 C10H16N5O12P3S1 non-polymer 1.00 0.32 T99 T9E C4H9N1O2Se1 L-peptide linking 0.56 0.88 T9E T9H C31F1H29N6O4S2 non-polymer 0.00 0.00 T9H T9N C16H14N6O1S1 non-polymer 0.00 0.00 T9N T9T C18H15Sn1 non-polymer 0.00 0.00 T9T TA0 TA1 non-polymer 0.00 0.00 TA0 TA1 C47H51N1O14 non-polymer 1.00 0.47 TA1 TA2 C9H13N1O2 non-polymer 0.00 0.00 TA2 TA3 C10H17N2O7P1 DNA linking 1.00 0.45 TA3 TA4 C9H16N4O2 L-peptide linking 0.00 0.00 TA4 TA5 C3H5N3O1 non-polymer 0.00 0.00 TA5 TA6 C6H13O9P1 non-polymer 1.00 0.75 TA6 TA7 C11F3H9O3 non-polymer 0.38 0.35 TA7 TA8 C12H18O8 non-polymer 0.60 0.35 TA8 TA9 C21H22N2O5 non-polymer 1.00 0.43 TA9 TAA C20Cl2F3H21N3O8P1 non-polymer 0.54 0.27 TAA TAB C23Cl1H26N7O2 non-polymer 0.61 0.21 TAB TAC C22H24N2O8 non-polymer 0.20 0.09 TAC TAD C20H27N7O13P2S1 non-polymer 1.00 0.49 TAD TAE C9H14N2O8P2 non-polymer 1.00 0.62 TAE TAF C10F1H14N2O8P1 DNA linking 1.00 0.77 TAF TAG C6H12O6 D-saccharide 1.00 1.00 TAG TAJ C34H46O14 non-polymer 1.00 0.79 TAJ TAK C24H25N5O1 non-polymer 0.00 0.00 TAK TAL C12H16N4O4 RNA linking 1.00 0.55 TAL TAM C7H17N1O3 non-polymer 0.60 1.00 TAM TAN C5H9N1 non-polymer 0.45 0.83 TAN TAO C41H67N1O15 non-polymer 1.00 0.35 TAO TAP C21H28N7O16P3S1 non-polymer 1.00 0.48 TAP TAQ C8H9N5 non-polymer 0.00 0.00 TAQ TAR C4H6O6 non-polymer 0.88 1.00 TAR TAS As1H3O3 non-polymer 0.00 0.00 TAS TAT C10H16N5O12P3S1 non-polymer 1.00 0.32 TAT TAU C2H7N1O3S1 non-polymer 0.00 0.00 TAU TAV C32H26N2O10S2 L-peptide linking 0.86 0.24 TAV TAX C26H30N1O1 non-polymer 0.50 0.18 TAX TAY C5H11N1O1 non-polymer 0.38 0.29 TAY TAZ C10H12N4O5S1 non-polymer 0.00 0.00 TAZ TB Tb1 non-polymer 0.00 0.00 TB TB0 C5H9N1 non-polymer 0.41 1.00 TB0 TB1 C11H13N1O5 non-polymer 0.71 0.59 TB1 TB2 C12H16O1 non-polymer 0.38 0.15 TB2 TB6 C3H9O4P1 non-polymer 0.00 0.00 TB6 TB7 C15H19N5O3 non-polymer 0.56 0.22 TB7 TB8 C9Cl1H8N1O2 non-polymer 0.29 0.38 TB8 TB9 C16Cl1H20N3S1 non-polymer 0.38 0.10 TB9 TBA C16H36N1 non-polymer 0.00 0.00 TBA TBB C5H11N1O2 non-polymer 0.39 0.62 TBB TBC C20H16O1 non-polymer 0.00 0.00 TBC TBD B1C10H19N2O10P2 non-polymer 1.00 0.68 TBD TBE C10H14N4O5S1 non-polymer 0.50 0.65 TBE TBF C5H10O2 non-polymer 0.56 0.71 TBF TBG C6H13N1O2 L-peptide linking 0.58 1.00 TBG TBH C31H47N3O9 non-polymer 0.56 0.47 TBH TBI C10H14N4O5S1 non-polymer 0.50 0.65 TBI TBL C10H13N1O5S1 non-polymer 0.64 0.35 TBL TBM C11H21N1O3 L-peptide linking 0.64 0.93 TBM TBN C11H14N4O4 non-polymer 1.00 0.53 TBN TBO C16Cl1H20N3S1 non-polymer 0.38 0.10 TBO TBP Br3C6H3O1 non-polymer 0.00 0.00 TBP TBQ C16Cl1H22N3O1 non-polymer 0.38 0.10 TBQ TBR Br12Ta6 non-polymer 0.00 0.00 TBR TBS Br4C6H1N3 non-polymer 0.00 0.00 TBS TBT C18H16O3 non-polymer 0.00 0.00 TBT TBU C4H10O1 non-polymer 0.50 1.00 TBU TBV C37H46N4O6 non-polymer 0.56 0.19 TBV TBX C16Cl1H22N3O1 non-polymer 0.38 0.10 TBX TBY C12H27Sn1 non-polymer 0.00 0.00 TBY TBZ C32H29N8O1 non-polymer 0.00 0.00 TBZ TC C8H11N3O7P1 RNA linking 1.00 0.42 TC TC0 C25H24N4O2 non-polymer 0.00 0.00 TC0 TC1 C15H16N3O7P1S1 DNA linking 1.00 0.33 TC1 TC2 C26H29N5O9 non-polymer 0.40 0.40 TC2 TC3 C3H10N1O3P1 non-polymer 0.43 0.75 TC3 TC4 C17H35N2O6P1 non-polymer 0.98 0.23 TC4 TC5 C5H14N1O3P1 non-polymer 0.00 0.00 TC5 TC6 C27H40N7O17P3S1 non-polymer 1.00 0.53 TC6 TC7 C6Cl3H3O1 non-polymer 0.00 0.00 TC7 TC8 C15F2H10N2O1S1 non-polymer 0.00 0.00 TC8 TC9 C37H42N2O6 non-polymer 0.00 0.00 TC9 TCA C9H8O2 non-polymer 0.44 0.55 TCA TCB C12H22O10S1 saccharide 1.00 0.96 TCB TCC C12Cl2H9N1O1 non-polymer 0.00 0.00 TCC TCD C16Cl4H8N2O2 non-polymer 0.00 0.00 TCD TCE C9H15O6P1 non-polymer 0.00 0.00 TCE TCF Br1C9H10N1O1 non-polymer 0.00 0.00 TCF TCG C33H59N4O20 non-polymer 1.00 0.95 TCG TCH C26H45N1O7S1 non-polymer 0.00 0.00 TCH TCI C21H30O2 non-polymer 0.00 0.00 TCI TCJ C13H18N3O7P1 DNA linking 1.00 0.46 TCJ TCK C14Cl1H21N2O3S1 peptide-like 0.00 0.00 TCK TCL C12Cl3H7O2 non-polymer 0.00 0.00 TCL TCM C10H16S1 non-polymer 0.00 0.00 TCM TCN C4N4Ni1 non-polymer 0.00 0.33 TCN TCO C13H23N1O3 non-polymer 0.56 0.82 TCO TCP C11H16N2O5 DNA linking 1.00 0.94 TCP TCQ C18H19N2O4 L-peptide linking 0.00 0.00 TCQ TCR C12H12N2O2 L-peptide linking 0.00 0.00 TCR TCT C16Cl1H11O3 non-polymer 0.00 0.00 TCT TCU C19H24O2 non-polymer 0.00 0.00 TCU TCV C2Cl3H1 non-polymer 0.00 0.00 TCV TCW C14H11N1O5 non-polymer 0.00 0.00 TCW TCX C2H8N1O3P1 non-polymer 0.00 0.00 TCX TCY C13H16N5O6P1 DNA linking 1.00 0.44 TCY TCZ C6Cl3H3 non-polymer 0.00 0.00 TCZ TD1 C13H16N2O8 non-polymer 0.84 0.65 TD1 TD2 C28F2H30N6O8S1 non-polymer 1.00 0.49 TD2 TD3 C6H14N1O7P1 non-polymer 0.65 0.67 TD3 TD4 C6H15N1O10P2 non-polymer 0.62 0.53 TD4 TD5 C16H25N4O10P2S1 non-polymer 0.00 0.00 TD5 TD6 C16H25N4O10P2S1 non-polymer 0.00 0.00 TD6 TD7 C16H24N4O10P2S1 non-polymer 0.75 0.21 TD7 TD8 C17H27N4O10P2S1 non-polymer 0.00 0.00 TD8 TD9 C17H27N4O10P2S1 non-polymer 0.00 0.00 TD9 TDA C13H26O2 non-polymer 0.00 0.00 TDA TDB B1C9H13N2O3S2 non-polymer 0.00 0.00 TDB TDC C22H22N2O7 non-polymer 0.20 0.10 TDC TDD C6H13N1O2 D-peptide linking 0.58 1.00 TDD TDE C18H32N2O7 non-polymer 0.81 0.67 TDE TDF C10F3H10N1O2 D-peptide linking 0.00 0.00 TDF TDG C12H22O10S1 saccharide 1.00 0.96 TDG TDH C14H11N3O2 non-polymer 0.00 0.00 TDH TDI C13H19N5O1S1 non-polymer 0.00 0.00 TDI TDK C15H26N4O11P3S1 non-polymer 0.61 0.24 TDK TDL C15H23N4O10P2S1 non-polymer 0.61 0.25 TDL TDM C14H22N4O8P2S1 non-polymer 0.75 0.10 TDM TDN C15H24N4O8P2S1 non-polymer 0.67 0.13 TDN TDO C16H24N2O15P2 non-polymer 1.00 0.80 TDO TDP C12H18N4O7P2S1 non-polymer 0.00 0.00 TDP TDR C5H6N2O2 non-polymer 1.00 1.00 TDR TDS C25H38O5 non-polymer 0.00 0.00 TDS TDT C40H44N12O15P2S1 non-polymer 1.00 0.33 TDT TDU C15H18N4O1S1 non-polymer 0.00 0.00 TDU TDV C27F1H30N5O2 peptide-like 0.00 0.00 TDV TDW C14H23N4O8P2S1 non-polymer 0.00 0.00 TDW TDX C15H24N2O15P2 non-polymer 1.00 0.79 TDX TDY C11H20N3O8P1 DNA linking 1.00 0.78 TDY TDZ C24H27N1O5S1 non-polymer 0.00 0.00 TDZ TE Te1 non-polymer 0.00 0.00 TE TE1 C15H20O5 non-polymer 0.58 0.25 TE1 TE2 C47H61N5O3S1 non-polymer 0.20 0.09 TE2 TE4 C15H24N2O2 non-polymer 0.61 0.37 TE4 TE6 H6O6Te1 non-polymer 0.00 0.00 TE6 TE7 C19H20N4O2 non-polymer 0.20 0.12 TE7 TEA C6H16N1 non-polymer 0.00 0.00 TEA TEB C16H23N3O4S2 non-polymer 0.50 0.36 TEB TEC C16H31N1O6 non-polymer 1.00 0.70 TEC TED C24H35N6O16P1 DNA linking 1.00 0.72 TED TEE C2H5N1S1 non-polymer 0.00 0.00 TEE TEF C10H11N5O2 L-peptide linking 0.00 0.00 TEF TEG C6H12O5 non-polymer 0.99 1.00 TEG TEI C16H16N2O3S1 non-polymer 0.56 0.23 TEI TEJ C27H38O4 non-polymer 0.25 0.16 TEJ TEL C43H65N5O10 non-polymer 1.00 0.17 TEL TEM C7H11N1O3 non-polymer 0.55 1.00 TEM TEN C6H15O4P1 non-polymer 0.62 0.91 TEN TEO C4H4O5 non-polymer 0.95 1.00 TEO TEP C7H8N4O2 non-polymer 0.00 0.00 TEP TER C10H26N4 non-polymer 0.00 0.00 TER TES C19H28O2 non-polymer 0.00 0.00 TES TET C20F1H31N3O23P3 non-polymer 1.00 0.50 TET TEU C12H22O11 non-polymer 1.00 1.00 TEU TEW O24Te1W6 non-polymer 0.00 0.00 TEW TEX C27H39N3O2 non-polymer 0.38 0.34 TEX TEY C30H48N4O3 non-polymer 0.55 0.16 TEY TF0 C14H25N1O11 saccharide 1.00 1.00 TF0 TF1 C18F3H20N3O3 non-polymer 0.44 0.26 TF1 TF2 C19F3H21N2O4S1 non-polymer 0.44 0.24 TF2 TF3 C20Cl1H25N2O2 non-polymer 0.00 0.00 TF3 TF4 C2Cl2H2O2 non-polymer 0.00 0.00 TF4 TF5 C14F3H11O2 non-polymer 0.00 0.00 TF5 TF6 C19F3H19N2O3 non-polymer 0.00 0.00 TF6 TF7 C7H14N4O4S1 non-polymer 0.46 0.56 TF7 TFA C2F3H1O2 non-polymer 0.00 0.00 TFA TFB C5H8O3 non-polymer 0.00 0.00 TFB TFC C11F3H19O1S1 non-polymer 0.00 0.00 TFC TFD C18Cl1F3H16N6 non-polymer 0.00 0.00 TFD TFE C12F3H16N2O9P1 RNA linking 1.00 0.67 TFE TFF C12F4H17N2O12P3 DNA linking 1.00 0.52 TFF TFG C19F3H16N3O3S1 non-polymer 0.00 0.00 TFG TFH N2 non-polymer 0.00 0.00 TFH TFI C19F3H22N5O5S1 non-polymer 0.00 0.00 TFI TFK C20F3H23N4O5S1 non-polymer 0.00 0.00 TFK TFL C16H17N2O1S1 non-polymer 0.20 0.15 TFL TFM C10F3H11N2S1 non-polymer 0.00 0.00 TFM TFN C24H33N5O5S1 peptide-like 0.56 0.14 TFN TFO C9H14N5O4P1 DNA linking 0.00 0.00 TFO TFP C21F3H24N3S1 non-polymer 0.00 0.00 TFP TFQ C11F3H12N1O2 L-peptide linking 0.00 0.00 TFQ TFR C11F3H19N2O4 D-peptide linking 0.44 0.30 TFR TFS C1F3H1O3S1 non-polymer 0.00 0.00 TFS TFT C9H13N2O8P1 DNA linking 1.00 0.80 TFT TFU C7H14O4Se1 non-polymer 1.00 0.83 TFU TFV C18Cl1F3H16N6 non-polymer 0.00 0.00 TFV TFX C17H19N2S1 non-polymer 0.20 0.15 TFX TFY C30H48N4O3 non-polymer 0.55 0.16 TFY TFZ C14F3H10N1O1 non-polymer 0.00 0.00 TFZ TG C9H11N5O7P1 RNA linking 1.00 0.36 TG TG0 C24H26N4O3S1 non-polymer 0.00 0.00 TG0 TG1 C34H50O12 non-polymer 1.00 0.48 TG1 TG4 C14H23N3O3S1 non-polymer 0.00 0.00 TG4 TG5 C12H19N3O3S1 non-polymer 0.00 0.00 TG5 TG6 C6H13O9P1 non-polymer 1.00 0.75 TG6 TGA C8H16O6S1 non-polymer 1.00 0.80 TGA TGC C25H40N7O19P3S2 non-polymer 1.00 0.41 TGC TGD C6H12O5 non-polymer 0.98 1.00 TGD TGE C24H32N6O4 non-polymer 0.58 0.21 TGE TGF C30H37N9O13 non-polymer 0.68 0.58 TGF TGG C14H21N3O10S1 non-polymer 0.96 0.29 TGG TGJ C6H12O5 non-polymer 0.97 1.00 TGJ TGK C6H12O5 L-saccharide 1.00 1.00 TGK TGL C57H110O6 non-polymer 0.98 0.29 TGL TGN C16H22N1O5P1 non-polymer 0.50 0.30 TGN TGP C10H14N5O6P1S1 DNA linking 0.00 0.00 TGP TGQ C20H25N7O6 non-polymer 0.68 0.36 TGQ TGR C6H12O5 non-polymer 1.00 1.00 TGR TGS C6H12O5 non-polymer 0.97 1.00 TGS TGT C11H17N2O11P1S1 non-polymer 1.00 0.73 TGT TGU C18H26O19 non-polymer 1.00 1.00 TGU TGW C14Cl2H11N3O1 non-polymer 0.00 0.00 TGW TGX C9H9N1O1S1 non-polymer 0.00 0.00 TGX TGY C6H12O5 D-saccharide 1.00 1.00 TGY TGZ C20F1H26N3O9S1 non-polymer 1.00 0.65 TGZ TH Th1 non-polymer 0.00 0.00 TH TH0 C6H6O2S1 non-polymer 0.00 0.00 TH0 TH1 C14H17N1O5S1 non-polymer 1.00 0.62 TH1 TH2 C23H32O5 non-polymer 0.96 0.29 TH2 TH3 C37H64N7O17P3S1 non-polymer 1.00 0.45 TH3 TH4 C10Cl1H9N4S1 non-polymer 0.00 0.00 TH4 TH5 C6H11N1O4 L-peptide linking 0.67 1.00 TH5 TH6 C4H9N1O4 L-peptide linking 0.88 1.00 TH6 TH7 C6H6O3S1 non-polymer 0.00 0.00 TH7 TH8 C12Cl2H15N1O5S1 non-polymer 0.00 0.00 TH8 TH9 C19H27N1O5 non-polymer 0.95 0.36 TH9 THA C13H14N2 non-polymer 0.00 0.00 THA THB C9H15N5O3 non-polymer 0.64 0.47 THB THC C6H11N1O4 L-peptide linking 0.72 1.00 THC THD C14H22N4O9P2S1 non-polymer 1.00 0.13 THD THE C4H7O5 non-polymer 0.97 1.00 THE THF C20H23N7O7 non-polymer 0.68 0.35 THF THG C19H23N7O6 non-polymer 0.68 0.38 THG THH C20H25N7O6 non-polymer 0.68 0.36 THH THI C16H13N1O1S1 non-polymer 0.00 0.00 THI THJ O3S2 non-polymer 0.00 0.00 THJ THK C23Cl1F1H27N1O1S2 non-polymer 0.00 0.00 THK THL C19H23N7O6 non-polymer 0.68 0.38 THL THM C10H14N2O5 DNA OH 5 prime terminus 1.00 1.00 THM THN C14H14N2O5S2 non-polymer 0.00 0.00 THN THO C4H11N1O2 L-peptide linking 0.61 1.00 THO THP C10H16N2O11P2 DNA linking 1.00 0.68 THP THQ C6H10N1O4P1S1 non-polymer 0.00 0.00 THQ THR C4H9N1O3 L-peptide linking 0.72 1.00 THR THR_LEO2 C4H7N1O3 NA 0.67 1.00 THR_LEO2 THR_LEO2H C4H8N1O3 NA 0.72 1.00 THR_LEO2H THR_LEO2H_DHG1 C4H7N1O3 NA 0.67 1.00 THR_LEO2H_DHG1 THR_LEO2_DHG1 C4H6N1O3 NA 0.61 1.00 THR_LEO2_DHG1 THR_LFOH C4H9N1O3 NA 0.72 1.00 THR_LFOH THR_LFOH_DHG1 C4H8N1O3 NA 0.67 1.00 THR_LFOH_DHG1 THR_LFZW C4H9N1O3 NA 0.67 1.00 THR_LFZW THR_LFZW_DHG1 C4H8N1O3 NA 0.61 1.00 THR_LFZW_DHG1 THR_LL C4H7N1O2 NA 0.00 0.00 THR_LL THR_LL_DHG1 C4H6N1O2 NA 0.00 0.00 THR_LL_DHG1 THR_LSN3 C4H9N1O2 NA 0.00 0.00 THR_LSN3 THR_LSN3_DHG1 C4H8N1O2 NA 0.00 0.00 THR_LSN3_DHG1 THS C10H15N2O6P1S2 non-polymer 1.00 0.81 THS THT C20H39N1O2S1 non-polymer 0.00 0.00 THT THU C9H14N2O5 non-polymer 1.00 0.56 THU THV C16H26N4O8P2S1 non-polymer 0.62 0.16 THV THW C19H24N4O8P2S1 non-polymer 0.00 0.00 THW THX C50H53N10O12P1 DNA linking 1.00 0.30 THX THY C17H28N4O8P2S1 non-polymer 0.60 0.19 THY THZ C13H17N5O1S1 L-peptide linking 0.32 0.45 THZ TI1 C19H28N2O4S1 non-polymer 0.64 0.23 TI1 TI2 C27H28N2O5S1 non-polymer 0.00 0.00 TI2 TI3 C22H24N2O4S1 non-polymer 0.00 0.00 TI3 TI4 C14H18N2 non-polymer 0.00 0.00 TI4 TI7 C14H12O2 non-polymer 0.00 0.00 TI7 TI8 C22Cl1H25N6O5 non-polymer 1.00 0.47 TI8 TI9 C11H12N2 non-polymer 0.00 0.15 TI9 TIA C9H12N2O4S1 non-polymer 0.00 0.00 TIA TIB C16Cl1H20N3S1 non-polymer 0.38 0.10 TIB TIC C14Cl1H14N1S1 non-polymer 0.00 0.00 TIC TID C9H7N3O2S1 non-polymer 0.00 0.00 TID TIF C26H35N5O4S1 peptide-like 0.00 0.00 TIF TIG C13H17N3O2 peptide-like 0.00 0.00 TIG TIH C7H9N1O2S1 L-peptide linking 0.00 0.00 TIH TII C16H25N3O1 non-polymer 0.58 0.20 TII TIL C16Cr1H13N1O4 non-polymer 0.00 0.00 TIL TIM C13H24N4O3S1 non-polymer 0.57 0.48 TIM TIN C32H46N2O3S1 non-polymer 0.55 0.24 TIN TIO C12H15N1O3S1 non-polymer 0.00 0.00 TIO TIQ C23F2H28N6O4S1 non-polymer 1.00 0.25 TIQ TIR C22H29N1O6 non-polymer 1.00 0.48 TIR TIS C5H11N1O5 L-peptide linking 0.90 1.00 TIS TIT Br1C32H45N6O7 non-polymer 0.52 0.52 TIT TIV C23H19N3O2 non-polymer 0.00 0.00 TIV TIY C11H8O5 non-polymer 0.00 0.00 TIY TIZ C9H12N2O5S1 non-polymer 1.00 0.65 TIZ TJ2 C23Cl2H23N3O4 non-polymer 0.39 0.16 TJ2 TJ3 C17Cl1H15N6O1 non-polymer 0.00 0.00 TJ3 TJE C24H31N2O7P1 non-polymer 0.00 0.00 TJE TJF C21H21N7O2S1 non-polymer 0.00 0.00 TJF TJH C25Cl1H22N3O3 non-polymer 0.00 0.00 TJH TJM C10H11N3O1S1 non-polymer 0.00 0.00 TJM TK1 C24H20N4O5S1 non-polymer 0.00 0.00 TK1 TK3 C36H52O3 non-polymer 0.33 0.18 TK3 TK4 C12H11N1O7S2 non-polymer 0.00 0.00 TK4 TKA C35H50O3 non-polymer 0.38 0.24 TKA TKD C36H52O3 non-polymer 0.33 0.18 TKD TKL C13H25N5O2 peptide-like 0.00 0.00 TKL TKT C17H20N2O2 non-polymer 0.00 0.00 TKT TKW C9H14N3O9P1 non-polymer 1.00 0.82 TKW TL Tl1 non-polymer 0.00 0.00 TL TL1 C20H22N4O4 non-polymer 1.00 0.36 TL1 TL2 C20H22N4O4 non-polymer 1.00 0.36 TL2 TL3 C20H22N4O4 non-polymer 1.00 0.36 TL3 TL4 C20H22N4O4 non-polymer 1.00 0.36 TL4 TL5 C12H16O2S1 non-polymer 0.50 0.27 TL5 TL6 C10H12O2S1 non-polymer 0.38 0.15 TL6 TLA C4H6O6 non-polymer 0.88 1.00 TLA TLB C11H15N2O9P1 RNA linking 1.00 0.83 TLB TLC C12H17N2O9P1 DNA linking 1.00 0.83 TLC TLD C7H8S2 non-polymer 0.00 0.00 TLD TLE C12H16O2S1 non-polymer 0.38 0.27 TLE TLF C14Cl1H12N1O2 non-polymer 0.00 0.00 TLF TLG C12H14O3S1 non-polymer 1.00 0.94 TLG TLH C12F3H11O3S1 non-polymer 1.00 0.79 TLH TLJ C13H18O2S1 non-polymer 0.38 0.25 TLJ TLL C25H32N8O9 non-polymer 0.68 0.50 TLL TLM C11H14O2S1 non-polymer 0.38 0.29 TLM TLN C11H15N2O9P1 RNA linking 1.00 0.83 TLN TLO C16H20N2O11P2 non-polymer 1.00 0.55 TLO TLP C12H19N2O8P1 non-polymer 0.72 0.35 TLP TLS C33H30N4O2 non-polymer 0.00 0.00 TLS TLT C15H15N1O3 non-polymer 0.00 0.00 TLT TLV C15Cl4H11N1O4 non-polymer 0.00 0.00 TLV TLX C13H27N3 non-polymer 0.00 0.00 TLX TLY C8H16N2O2S1 L-peptide linking 0.00 0.00 TLY TLZ C6H14O6 non-polymer 0.98 1.00 TLZ TM1 C16H15N8O13P1 non-polymer 1.00 0.26 TM1 TM2 C12H20N3O12P1S1 non-polymer 1.00 0.34 TM2 TM3 C32H42N6O3 non-polymer 0.00 0.00 TM3 TM4 C6H6O2S1 non-polymer 0.00 0.00 TM4 TM5 C30H52O23S3 saccharide 1.00 0.95 TM5 TM6 C36H62O28S3 saccharide 1.00 0.96 TM6 TM7 C6H6O2S1 non-polymer 0.00 0.00 TM7 TM9 C6H13N1O6 saccharide 1.00 1.00 TM9 TMA C4H12N1 non-polymer 0.20 0.60 TMA TMB C11H21N1O3 L-peptide linking 0.64 0.93 TMB TMC C12H16N2O4 non-polymer 1.00 1.00 TMC TMD C10H21N1O3 L-peptide linking 0.64 0.86 TMD TME C3H8 non-polymer 0.00 0.00 TME TMF C20H21N7O6 non-polymer 0.68 0.36 TMF TMG C10H7N3S1 non-polymer 0.00 0.00 TMG TMH C10H16 non-polymer 0.00 0.00 TMH TMI C22H18N2 non-polymer 0.00 0.00 TMI TMJ C15Cl1H15N2O2S1 non-polymer 0.00 0.00 TMJ TML C3H9 non-polymer 0.00 0.00 TML TMM C9H6O6 non-polymer 0.00 0.00 TMM TMN C4H11N1O3 non-polymer 0.72 1.00 TMN TMO C3H9N1O1 non-polymer 0.20 0.60 TMO TMP C10H15N2O8P1 non-polymer 1.00 0.81 TMP TMQ C19H24N5O3 non-polymer 0.00 0.00 TMQ TMR C7H14O3S1 D-saccharide 1.00 0.82 TMR TMS C21H25N1O5 non-polymer 0.61 0.26 TMS TMT C6H10N1S1 non-polymer 0.00 0.00 TMT TMU C12H12N4O4S1 non-polymer 0.00 0.00 TMU TMV C12H21N4O8P1S1V1 non-polymer 0.00 0.00 TMV TMX C9H20N1O5 D-saccharide 1.00 0.80 TMX TMY C21H32O6 non-polymer 0.55 0.26 TMY TMZ C6H10N1S1 non-polymer 0.00 0.00 TMZ TN1 C10H12O1 non-polymer 0.00 0.00 TN1 TN2 C12Cl2H7N1O4 non-polymer 0.00 0.00 TN2 TN3 C14Cl2H11N1O3 non-polymer 0.50 0.20 TN3 TN4 C19Cl1H30N1O6 non-polymer 1.00 0.63 TN4 TN5 C12Cl2H9N1O2 non-polymer 0.00 0.00 TN5 TN6 C4H12N1O3P1 non-polymer 0.00 0.00 TN6 TN7 C4H12N1O3P1 non-polymer 0.00 0.00 TN7 TNA C13H23N3O8 non-polymer 0.68 1.00 TNA TNB C9H8N4O8S1 L-peptide linking 0.00 0.00 TNB TNC C21H20N2O6 non-polymer 0.20 0.10 TNC TND C29H32N6O6 non-polymer 1.00 0.24 TND TNE C8H13N1O1 non-polymer 0.00 0.00 TNE TNF C6H3N3O7 non-polymer 0.00 0.00 TNF TNG C3H5N3O9 non-polymer 0.98 0.40 TNG TNH C25H30N4O1 non-polymer 0.00 0.00 TNH TNK C22H24N2O3 non-polymer 0.00 0.00 TNK TNL C7H5N3O6 non-polymer 0.00 0.00 TNL TNM C9H15N5O7P2 non-polymer 0.00 0.00 TNM TNN C27H19N1O8 non-polymer 0.00 0.00 TNN TNQ C13H15N3O5 L-peptide linking 0.00 0.00 TNQ TNR C11H20N2O8 L-peptide linking 1.00 1.00 TNR TNS C20H22N2O4 non-polymer 0.25 0.08 TNS TNT C17H20N4O2 non-polymer 0.83 0.22 TNT TNV C9H16N5O10P3 non-polymer 0.00 0.00 TNV TNX C8H13N1O4S1 non-polymer 1.00 0.79 TNX TNY C12H22N2O8 L-peptide linking 1.00 1.00 TNY TO1 C12H13N5O4 non-polymer 1.00 0.48 TO1 TO2 C18H22O6 non-polymer 1.00 0.38 TO2 TOA C6H14N1O5 saccharide 1.00 1.00 TOA TOB C6H16N2O2 non-polymer 1.00 1.00 TOB TOC C6H16N2O3 saccharide 1.00 1.00 TOC TOD C16H22N2O6 non-polymer 0.42 0.75 TOD TOE C7H16O4 non-polymer 0.88 1.00 TOE TOF C7H7N5O2 non-polymer 0.00 0.00 TOF TOG C16H24N4O10P2S1 non-polymer 0.75 0.21 TOG TOH C10H8O4 non-polymer 0.56 0.50 TOH TOI C26H35N4O16P2S1 non-polymer 0.95 0.12 TOI TOK C26H32N2O1 non-polymer 0.00 0.00 TOK TOL C16F3H14N1O3S1 non-polymer 0.71 0.25 TOL TOM C11H10O4 non-polymer 0.56 0.47 TOM TON C18H30O3 non-polymer 0.81 0.67 TON TOP C14H18N4O3 non-polymer 0.00 0.00 TOP TOQ C11H12N2O4 L-peptide linking 0.00 0.00 TOQ TOR C12H21N1O8S1 non-polymer 1.00 0.55 TOR TOS C7H8O2S1 non-polymer 0.00 0.00 TOS TOT C49H58N6S2 non-polymer 0.33 0.12 TOT TOU C1H4N2S1 non-polymer 0.00 0.00 TOU TOX C11H12N2O4 L-peptide linking 0.00 0.00 TOX TOY C18H37N5O9 non-polymer 1.00 1.00 TOY TOZ C8H7N3O3S1 peptide linking 0.00 0.00 TOZ TP0 C20H23N1 non-polymer 0.20 0.14 TP0 TP1 C12H18N4O5 DNA linking 1.00 0.86 TP1 TP2 C14H20N2O3S2 non-polymer 0.00 0.00 TP2 TP3 C17H20N2O9S1 non-polymer 0.68 0.41 TP3 TP4 C20H25N3O10S1 non-polymer 0.68 0.35 TP4 TP5 C5H6N2S1 non-polymer 0.00 0.00 TP5 TP6 C15H25N4O11P1 non-polymer 0.97 0.32 TP6 TP7 C11H22N1O7P1S1 non-polymer 0.67 0.38 TP7 TP8 C15H21N4O12P3S1 non-polymer 0.67 0.14 TP8 TP9 C11H18N4O7P2S1 non-polymer 0.50 0.24 TP9 TPA C9H12N1 non-polymer 0.00 0.00 TPA TPB C20H19N5 non-polymer 0.00 0.00 TPB TPC C9H14N3O6P1S1 DNA linking 0.00 0.00 TPC TPD C9H10N2O4S4 non-polymer 0.00 0.00 TPD TPE C18H22N2O12P2 non-polymer 1.00 0.50 TPE TPF C13F2H12N6O1 non-polymer 0.00 0.00 TPF TPG C23H35N10O18P3 RNA linking 1.00 0.37 TPG TPH C9H13N1O2 L-peptide linking 0.00 0.00 TPH TPI C17F2H17N2O7P1 non-polymer 0.00 0.00 TPI TPJ C9H17N1O2 L-peptide linking 0.38 0.17 TPJ TPK C6H13N1O2 L-peptide linking 0.00 0.00 TPK TPL C11H14N2O1 L-peptide linking 0.00 0.00 TPL TPM C12H18N3 non-polymer 0.00 0.00 TPM TPN C11H17N4O5 peptide-like 1.00 0.45 TPN TPO C4H10N1O6P1 L-peptide linking 0.67 0.67 TPO TPP C12H19N4O7P2S1 non-polymer 0.00 0.00 TPP TPQ C9H9N1O5 L-peptide linking 0.00 0.00 TPQ TPR C12H15N1O4S1 non-polymer 0.00 0.00 TPR TPS C12H18N4O4P1S1 non-polymer 0.00 0.00 TPS TPT C15Cl1H11N3Pt1 non-polymer 0.00 0.00 TPT TPU C11H18N6O7P2 non-polymer 0.00 0.00 TPU TPV C31F3H33N2O5S1 non-polymer 0.00 0.00 TPV TPW C13H19N3O7P2S1 non-polymer 0.00 0.00 TPW TPX C14H19N1O5S1 non-polymer 0.57 0.52 TPX TPY C13H16N2O7S1 non-polymer 0.57 0.48 TPY TPZ C9H18N1O7P1S1 non-polymer 0.67 0.42 TPZ TQ1 C15H12N4O2 non-polymer 0.00 0.00 TQ1 TQ2 C24H27N1O3 non-polymer 0.56 0.18 TQ2 TQ3 C14H12N4S1 non-polymer 0.00 0.00 TQ3 TQ4 C15H14N4S1 non-polymer 0.00 0.00 TQ4 TQ5 C18H20N4S1 non-polymer 0.38 0.09 TQ5 TQ6 C18H19N5O1S1 non-polymer 0.00 0.00 TQ6 TQ8 C17Cl1H18N1O3S1 non-polymer 0.00 0.00 TQ8 TQ9 C5Cl1H7O3 non-polymer 0.00 0.00 TQ9 TQD C19H29N5O3 non-polymer 0.00 0.00 TQD TQI C18Cl1F3H14N2O4S1 L-peptide linking 0.00 0.00 TQI TQJ Br1C19H25N6O4S1 non-polymer 0.00 0.00 TQJ TQL C12H10N2O3 non-polymer 0.00 0.00 TQL TQP C24H35N4O19P3 non-polymer 1.00 0.56 TQP TQQ C11H11N3O3 L-peptide linking 0.00 0.00 TQQ TQT C17H33N5 non-polymer 0.00 0.00 TQT TQU C11H9N5 non-polymer 0.00 0.00 TQU TQV C14H15O5P1 non-polymer 0.00 0.00 TQV TQX C26F1H28N1O4 non-polymer 0.56 0.16 TQX TQZ C3H7N1O2S5 L-peptide linking 0.00 0.00 TQZ TR0 C24H25N3O4 non-polymer 0.00 0.00 TR0 TR1 C24H31N3O4S1 non-polymer 0.55 0.25 TR1 TR2 C7H5N1O1S1 non-polymer 0.00 0.00 TR2 TR3 C20H22N4O1S1 non-polymer 0.00 0.00 TR3 TR4 C11H10N4S1 non-polymer 0.00 0.00 TR4 TR5 C13H17N6O7P1 non-polymer 1.00 0.37 TR5 TR6 C20F3H15N4O3 non-polymer 0.00 0.00 TR6 TR7 C12H14N2O2 non-polymer 0.56 0.44 TR7 TR8 B1C32H52N4O10 non-polymer 0.38 0.04 TR8 TR9 C7H8O4 non-polymer 0.00 0.00 TR9 TRA C6H3O6 non-polymer 0.90 1.00 TRA TRB C16Cl1H20N3S1 non-polymer 0.38 0.10 TRB TRC C6H8O6 non-polymer 0.62 1.00 TRC TRD C13H28 non-polymer 0.00 0.00 TRD TRE C12H22O11 saccharide 1.00 1.00 TRE TRF C12H12N2O3 L-peptide linking 0.00 0.00 TRF TRG C8H18N2O2 L-peptide linking 0.20 0.25 TRG TRH C16H26N2O15P2 non-polymer 1.00 0.80 TRH TRI C2H3N3 non-polymer 0.00 0.00 TRI TRJ C8H12N2 non-polymer 0.00 0.00 TRJ TRK C22H27N1O6 non-polymer 1.00 0.41 TRK TRL C19H35N3O6S1 non-polymer 0.56 0.17 TRL TRM C8H6N2O2 non-polymer 0.00 0.00 TRM TRN C10H11N3O2 L-peptide linking 0.00 0.00 TRN TRO C11H12N2O3 L-peptide linking 0.00 0.00 TRO TRP C11H12N2O2 L-peptide linking 0.00 0.00 TRP TRP_LEO2 C11H10N2O2 NA 0.00 0.00 TRP_LEO2 TRP_LEO2H C11H11N2O2 NA 0.00 0.00 TRP_LEO2H TRP_LEO2H_DHE1 C11H10N2O2 NA 0.00 0.00 TRP_LEO2H_DHE1 TRP_LEO2_DHE1 C11H9N2O2 NA 0.00 0.00 TRP_LEO2_DHE1 TRP_LFOH C11H12N2O2 NA 0.00 0.00 TRP_LFOH TRP_LFOH_DHE1 C11H11N2O2 NA 0.00 0.00 TRP_LFOH_DHE1 TRP_LFZW C11H12N2O2 NA 0.00 0.00 TRP_LFZW TRP_LFZW_DHE1 C11H11N2O2 NA 0.00 0.00 TRP_LFZW_DHE1 TRP_LL C11H10N2O1 NA 0.00 0.00 TRP_LL TRP_LL_DHE1 C11H9N2O1 NA 0.00 0.00 TRP_LL_DHE1 TRP_LSN3 C11H12N2O1 NA 0.00 0.00 TRP_LSN3 TRP_LSN3_DHE1 C11H11N2O1 NA 0.00 0.00 TRP_LSN3_DHE1 TRQ C11H10N2O4 L-peptide linking 0.00 0.00 TRQ TRR C14H19N4O3 non-polymer 0.00 0.00 TRR TRS C4H12N1O3 non-polymer 0.72 1.00 TRS TRT C21H36O4 non-polymer 0.88 0.72 TRT TRU C8Cl3H8N3O4S2 non-polymer 0.00 0.00 TRU TRW C17H18N4O2 L-peptide linking 0.00 0.00 TRW TRX C11H12N2O3 L-peptide linking 0.00 0.00 TRX TRY C11H10N2O2 L-peptide linking 0.93 0.27 TRY TRZ C20H28O3 non-polymer 0.69 0.30 TRZ TS C10H15N2O7P1S1 DNA linking 1.00 0.81 TS TS0 C14H23N4O11P1 non-polymer 0.97 0.33 TS0 TS1 C14H23N4O11P1 non-polymer 0.97 0.33 TS1 TS2 C27H47N9O10S2 non-polymer 0.00 0.00 TS2 TS3 C27H49N9O10S2 non-polymer 0.00 0.00 TS3 TS4 C34H66N12O10S2 non-polymer 0.00 0.00 TS4 TS5 C17H34N6O5S1 non-polymer 0.00 0.00 TS5 TS6 H3O3P1S1 non-polymer 0.00 0.00 TS6 TS8 C14H20O9S1 non-polymer 1.00 0.58 TS8 TS9 C6H13N1O4 L-peptide linking 0.73 1.00 TS9 TSA C10H12O6 non-polymer 1.00 1.00 TSA TSB C14H21N7O8S1 non-polymer 1.00 0.63 TSB TSC C10H12N2O1 non-polymer 0.00 0.00 TSC TSD C6D4H9O2Si1 non-polymer 0.90 0.31 TSD TSE C2H5O4P1S1 non-polymer 0.00 0.00 TSE TSF C15F2H23N4O10P1 non-polymer 0.97 0.31 TSF TSH C10H10N2 non-polymer 0.00 0.00 TSH TSI C5H13N1O2 non-polymer 0.59 1.00 TSI TSJ C20F3H16N3O3 non-polymer 0.00 0.00 TSJ TSK C22F1H14I1N2O4 non-polymer 0.00 0.00 TSK TSL C8H13N1O5S1 non-polymer 0.55 0.80 TSL TSM C4H10O3S1 non-polymer 0.38 0.25 TSM TSN C17H22N2O3 non-polymer 0.44 0.32 TSN TSO C10H12O6 non-polymer 1.00 1.00 TSO TSP C10H15N2O7P1S1 DNA linking 1.00 0.76 TSP TSR C10H10N2O1 non-polymer 0.00 0.00 TSR TSS C10H12N2 non-polymer 0.00 0.00 TSS TST C18H26N2O5S2 L-peptide linking 0.00 0.00 TST TSU C7H8O3S1 non-polymer 0.00 0.00 TSU TSV C35F1H44N5O9S1 non-polymer 0.56 0.10 TSV TSX C21H25N5O3 non-polymer 0.36 0.14 TSX TSY C3H7N1O2S3 L-peptide linking 0.00 0.00 TSY TSZ C1H5N3S1 non-polymer 0.00 0.00 TSZ TT C21H29N4O13P1 DNA linking 1.00 0.56 TT TT1 C20Cl1H16N3S2 non-polymer 0.00 0.00 TT1 TT2 C35H52O3 non-polymer 0.36 0.18 TT2 TT4 C8H9N5 non-polymer 0.00 0.00 TT4 TT8 C15H22N6O5S1 non-polymer 1.00 0.33 TT8 TTA As1C24H20 non-polymer 0.00 0.00 TTA TTB C24H28O2 non-polymer 0.38 0.08 TTB TTC C23H23N3O5 non-polymer 0.20 0.10 TTC TTD C20H28N4O15P2 DNA linking 1.00 0.54 TTD TTE C11H19N2O13P3 non-polymer 1.00 0.59 TTE TTF C8F3H5O2S1 non-polymer 0.38 0.43 TTF TTG C23H25N3O6 non-polymer 1.00 0.59 TTG TTH C20H34 non-polymer 0.50 1.00 TTH TTI C9H13N2O8P1Te1 DNA linking 1.00 0.43 TTI TTJ C16H19N3O3 non-polymer 0.00 0.00 TTJ TTL C10H13N1O1 non-polymer 0.00 0.00 TTL TTM C12H19N2O8P1 DNA linking 1.00 0.74 TTM TTN C3H2O5 non-polymer 0.76 1.00 TTN TTO As1C24H20O2 non-polymer 0.00 0.00 TTO TTP C10H17N2O14P3 non-polymer 1.00 0.59 TTP TTQ C11H13N3O3 L-peptide linking 0.00 0.00 TTQ TTR C14H13N1O2 non-polymer 0.00 0.00 TTR TTS C17H18N2O5 L-peptide linking 0.00 0.00 TTS TTT C20H20N2O1 non-polymer 0.27 0.35 TTT TTW C10H18N3O13P3 non-polymer 1.00 0.59 TTW TTX C22H30N4O4 non-polymer 0.00 0.00 TTX TTY C9H8O4 non-polymer 0.00 0.00 TTY TTZ C13H22N2O9S1 non-polymer 1.00 0.92 TTZ TU0 Br1C8H7O4S1 non-polymer 0.25 0.14 TU0 TU1 C29F3H21N4O2 non-polymer 0.00 0.00 TU1 TUB C37H41N2O6 non-polymer 0.00 0.00 TUB TUC C11H9N1O3 non-polymer 0.00 0.00 TUC TUD C26H45N1O6S1 non-polymer 0.00 0.00 TUD TUE C17H16N4O1 non-polymer 0.00 0.00 TUE TUH C20H20N4O3 non-polymer 0.00 0.00 TUH TUI C21H18N6O4S2 non-polymer 0.00 0.00 TUI TUL C4H4N2O1S1 non-polymer 0.00 0.00 TUL TUM C37H60N4O16 non-polymer 1.00 0.70 TUM TUN C6H16N1O3P1 non-polymer 0.00 0.00 TUN TUO C15H14N4O3S1 non-polymer 0.00 0.00 TUO TUQ C20Cl1H24N5O2 non-polymer 0.00 0.00 TUQ TUR C12H22O11 non-polymer 1.00 1.00 TUR TUT C21Cl1H24N3O3 non-polymer 0.20 0.14 TUT TUX C22H41N1O7 non-polymer 1.00 0.40 TUX TV2 C17H13N5O2 non-polymer 0.00 0.00 TV2 TV4 Br1C15F2H15N4O3S1 non-polymer 0.00 0.00 TV4 TVA C13H22N2O3S1 peptide-like 0.00 0.00 TVA TVC C17H12O2 non-polymer 0.00 0.00 TVC TVN C21H32N5O9P1 non-polymer 0.00 0.00 TVN TVP C12H15N1O1 non-polymer 0.00 0.00 TVP TVU C22H24N2O6S2 non-polymer 0.00 0.00 TVU TVZ C14H11N1O3 non-polymer 0.00 0.00 TVZ TW5 C33Cl1F1H30N6O2 non-polymer 0.00 0.00 TW5 TWB C12H13O5P1 non-polymer 0.00 0.00 TWB TWL C10H14N2O2 non-polymer 0.58 0.57 TWL TWN C22H42O3 non-polymer 0.54 0.32 TWN TWO C9H10O4 non-polymer 0.00 0.00 TWO TWT C22H46 non-polymer 0.00 0.00 TWT TX1 Br2C21Cl1H13N2O5 non-polymer 0.00 0.00 TX1 TX2 C12H20N3O7P1S1 DNA linking 1.00 0.71 TX2 TX3 Br2C22Cl1H16N1O3 non-polymer 0.00 0.00 TX3 TX4 C4H12N1O8P1 non-polymer 1.00 0.64 TX4 TX5 C27H40O3 non-polymer 0.56 0.17 TX5 TX6 C17H21N3O2 non-polymer 0.00 0.00 TX6 TX7 Br3C21H13N2O5 non-polymer 0.00 0.00 TX7 TXA C15H21N6O11P1 non-polymer 1.00 0.67 TXA TXB C5H10O4S1 non-polymer 1.00 0.90 TXB TXC C13H20N6O4 non-polymer 0.60 0.48 TXC TXD C21H31N7O14P2 non-polymer 1.00 0.52 TXD TXE C21H31N7O14P2 non-polymer 1.00 0.52 TXE TXF C27H31N1O3 non-polymer 0.50 0.16 TXF TXG C34H44N4O7 non-polymer 0.00 0.00 TXG TXI C10Cl1H18N1O4 non-polymer 0.65 0.62 TXI TXL C43H53N1O14 non-polymer 1.00 0.59 TXL TXN C37H52N15O20P3 non-polymer 1.00 0.33 TXN TXP C21H32N7O17P3 non-polymer 1.00 0.48 TXP TXQ C14H8O6 non-polymer 0.00 0.00 TXQ TXS C14H21N3O4 non-polymer 1.00 0.43 TXS TXT C31H55N1O23 non-polymer 1.00 1.00 TXT TXW C12H14N2O1 non-polymer 0.00 0.00 TXW TXY C9H13N1O4 L-peptide linking 0.00 0.00 TXY TXZ C10H20N1O7P1S1 non-polymer 0.67 0.40 TXZ TY0 C14H21N1O3 peptide-like 0.56 0.67 TY0 TY1 C13H19N1O3 L-peptide linking 0.56 0.29 TY1 TY2 C9H12N2O3 L-peptide linking 0.00 0.00 TY2 TY3 C9H11N1O4 L-peptide linking 0.00 0.00 TY3 TY4 Br1C22Cl3H15N1O3 non-polymer 0.00 0.00 TY4 TY5 C16H17N1O3 L-peptide linking 0.00 0.00 TY5 TY8 C9H11N1O7 L-peptide linking 0.00 0.00 TY8 TY9 C9H11N1O7 L-peptide linking 0.00 0.00 TY9 TYA C19H24N6O8P1 non-polymer 1.00 0.47 TYA TYB C9H11N1O2 L-peptide linking 0.00 0.00 TYB TYC C9H12N2O2 non-polymer 0.00 0.00 TYC TYD C10H16N2O11P2 non-polymer 1.00 0.68 TYD TYE C9H13N1O2 L-peptide linking 0.00 0.00 TYE TYF C9H10O4 non-polymer 0.00 0.00 TYF TYI C9H9I2N1O3 L-peptide linking 0.00 0.00 TYI TYJ C10H13N1O5 L-peptide linking 0.50 0.50 TYJ TYK C46H77N1O17 non-polymer 1.00 0.50 TYK TYL C8H9N1O2 non-polymer 0.00 0.00 TYL TYM C21H24N7O8P1 non-polymer 1.00 0.46 TYM TYN C15H16N4O4 L-peptide linking 0.00 0.00 TYN TYO C9H13N1O5 L-peptide linking 0.62 0.93 TYO TYP C14H16N2O3 non-polymer 0.00 0.00 TYP TYQ C9H12N2O4 L-peptide linking 0.00 0.00 TYQ TYR C9H11N1O3 L-peptide linking 0.00 0.00 TYR TYR_LEO2 C9H9N1O3 NA 0.00 0.00 TYR_LEO2 TYR_LEO2H C9H10N1O3 NA 0.00 0.00 TYR_LEO2H TYR_LEO2H_DHH C9H9N1O3 NA 0.00 0.00 TYR_LEO2H_DHH TYR_LEO2_DHH C9H8N1O3 NA 0.00 0.00 TYR_LEO2_DHH TYR_LFOH C9H11N1O3 NA 0.00 0.00 TYR_LFOH TYR_LFOH_DHH C9H10N1O3 NA 0.00 0.00 TYR_LFOH_DHH TYR_LFZW C9H11N1O3 NA 0.00 0.00 TYR_LFZW TYR_LFZW_DHH C9H10N1O3 NA 0.00 0.00 TYR_LFZW_DHH TYR_LL C9H9N1O2 NA 0.00 0.00 TYR_LL TYR_LL_DHH C9H8N1O2 NA 0.00 0.00 TYR_LL_DHH TYR_LSN3 C9H11N1O2 NA 0.00 0.00 TYR_LSN3 TYR_LSN3_DHH C9H10N1O2 NA 0.00 0.00 TYR_LSN3_DHH TYS C9H11N1O6S1 L-peptide linking 0.00 0.00 TYS TYT C18H20N2O4 L-peptide linking 0.00 0.00 TYT TYU C9H16N2O6 RNA linking 1.00 0.59 TYU TYV C6H12O4 D-saccharide 1.00 1.00 TYV TYW C9H13N1O3 peptide-like 0.00 0.00 TYW TYX C11H14N2O3S1 L-peptide linking 0.00 0.00 TYX TYY C9H10N2O4 L-peptide linking 0.00 0.00 TYY TYZ C9H9N1O3 non-polymer 0.00 0.00 TYZ TZ0 C22H22N6O3 non-polymer 0.38 0.16 TZ0 TZ1 C16Cl1H9N4O1S3 non-polymer 0.00 0.00 TZ1 TZ2 C15H17N5 non-polymer 0.00 0.00 TZ2 TZ4 C42H45N8 non-polymer 0.00 0.00 TZ4 TZ5 C42H45N8 non-polymer 0.00 0.00 TZ5 TZA C10H16N2O2 non-polymer 0.00 0.00 TZA TZB C7H10N2O2S1 L-peptide linking 0.50 0.17 TZB TZC C3H6N5 non-polymer 0.00 0.00 TZC TZD C12H18N4O8P2S1 non-polymer 0.00 0.00 TZD TZE C6H9N1O1S1 non-polymer 0.00 0.00 TZE TZF C8H7N3O1 non-polymer 0.00 0.00 TZF TZG C12Cl1H13N2O6 non-polymer 0.00 0.00 TZG TZL C7H11N1S1 non-polymer 0.00 0.00 TZL TZM C9H10N4 non-polymer 0.00 0.00 TZM TZN C19H25N5O4 non-polymer 0.00 0.00 TZN TZO C4H3N1O2S1 L-peptide linking 0.00 0.00 TZO TZP C6H10N1O4P1S1 non-polymer 0.00 0.00 TZP TZT C39H67N5O6 non-polymer 0.48 0.54 TZT TZY C18F1H15N4O1 non-polymer 0.00 0.00 TZY TZZ C3H9O4P1 non-polymer 0.00 0.00 TZZ U C9H13N2O9P1 RNA linking 1.00 0.48 U U01 Br1C19H17O3 non-polymer 0.00 0.00 U01 U02 C33H38N2O6 non-polymer 0.56 0.12 U02 U03 C19H18O4 non-polymer 0.00 0.00 U03 U04 C25H28N2O6 non-polymer 0.56 0.15 U04 U05 C15H14N4O3 non-polymer 0.00 0.00 U05 U06 C23H22N4O3 non-polymer 0.00 0.07 U06 U0E C28H52N8O6 non-polymer 0.00 0.00 U0E U1 U1 non-polymer 0.00 0.00 U1 U10 C59H90O4 non-polymer 0.38 0.76 U10 U11 C16F3H20N3O5 non-polymer 0.64 0.48 U11 U12 C10F3H7N6 non-polymer 1.00 0.42 U12 U13 C9F1H7N6 non-polymer 1.00 0.50 U13 U14 C10H8N6O2 non-polymer 1.00 0.44 U14 U15 C20H31N3O5 non-polymer 0.56 0.54 U15 U16 C22H35N3O5 non-polymer 0.56 0.50 U16 U17 C17H33N3O6 non-polymer 0.56 0.62 U17 U18 C27H24N4O6 non-polymer 0.68 0.27 U18 U19 C10F3H7N6 non-polymer 1.00 0.42 U19 U1K C10H16N2O3S1 non-polymer 0.38 0.12 U1K U1N C19F1H21N2O2 non-polymer 0.46 0.33 U1N U1P C10H14N3O9P1 non-polymer 1.00 0.43 U1P U1S C17H25N3O7 non-polymer 1.00 0.67 U1S U1T C21H22N2O1 non-polymer 0.00 0.00 U1T U20 C31H53N3O19P2 non-polymer 1.00 0.45 U20 U21 C27H45N3O19P2 non-polymer 1.00 0.49 U21 U22 C29H50N4O18P2 non-polymer 1.00 0.58 U22 U25 C9H13N2O9P1 RNA linking 1.00 0.48 U25 U2F C15F1H23N2O16P2 non-polymer 1.00 0.58 U2F U2G C19H24N7O13P1 non-polymer 1.00 0.50 U2G U2L C13H21N2O10P1 RNA linking 1.00 0.85 U2L U2N C9H14N3O8P1 DNA linking 1.00 0.48 U2N U2P C9H13N2O9P1 RNA linking 1.00 0.48 U2P U2S C13H19N3O6 non-polymer 1.00 0.45 U2S U2X C16H23N1O3 L-peptide linking 0.00 0.00 U2X U2Z C12H15N3O1 non-polymer 0.00 0.00 U2Z U31 C12H20N3O9P1 RNA linking 1.00 0.40 U31 U32 C12H15N3O2S2 non-polymer 0.00 0.00 U32 U33 Br1C9H11N2O5 DNA linking 1.00 0.53 U33 U34 C10H15N2O9P1 RNA linking 1.00 0.45 U34 U36 C12H19N2O10P1 RNA linking 1.00 0.56 U36 U37 C9H13N2O8P1S1 RNA linking 1.00 0.48 U37 U3H C9H17N2O14P3 non-polymer 1.00 0.32 U3H U3M C25H16N2O2 non-polymer 0.00 0.00 U3M U3P C9H13N2O9P1 non-polymer 1.00 0.48 U3P U3S C14H21N3O5 non-polymer 1.00 0.45 U3S U3X C16H24N2O2 L-peptide linking 0.00 0.00 U3X U46 C21H34O4 non-polymer 0.46 0.52 U46 U49 C26H21N5O2 non-polymer 0.00 0.00 U49 U4J C14H12O3 non-polymer 0.00 0.00 U4J U4M C10F1H14N2O8P1 RNA linking 1.00 0.45 U4M U4S C13H19N3O5 non-polymer 1.00 0.48 U4S U4W C32F2H36N6O2 non-polymer 0.00 0.00 U4W U51 C20H32N2O2 non-polymer 0.38 0.50 U51 U52 C24Cl1H29N6O3 non-polymer 0.64 0.18 U52 U53 C16H16N2O3S1 non-polymer 0.75 0.23 U53 U55 C10H11N5O2S1 non-polymer 0.00 0.00 U55 U5M C10F1H14N2O8P1 RNA linking 1.00 0.45 U5M U5P C9H13N2O9P1 non-polymer 1.00 0.48 U5P U5R C10F1H14N2O8P1 non-polymer 1.00 0.45 U5R U63 C12F1H21O10 non-polymer 1.00 0.96 U63 U66 C27H27N5O2 non-polymer 0.00 0.00 U66 U6B C22H24N4O2 non-polymer 0.00 0.00 U6B U6M C10H15N2O9P1 non-polymer 1.00 0.82 U6M U73 C13H15N3O1S1 non-polymer 0.00 0.00 U73 U75 C23H22N4O3 non-polymer 0.00 0.07 U75 U7E C7H7N5O2S1 non-polymer 0.00 0.00 U7E U85 C26H26N7 non-polymer 0.20 0.09 U85 U89 C27H38N7O12P1S1 non-polymer 1.00 0.48 U89 U8D C22H27N2O5P1 non-polymer 0.00 0.00 U8D U8K C12H10N2O4S1 non-polymer 0.00 0.00 U8K U8U C11H18N3O8P1S1 RNA linking 1.00 0.42 U8U U91 C18F4H13N3O2 non-polymer 0.00 0.00 U91 U94 C20Cl2H21N1O6 non-polymer 0.88 0.55 U94 U98 C12F3H10N3O2S1 non-polymer 0.00 0.00 U98 UA1 C24H32N4O8S1 non-polymer 0.56 0.14 UA1 UA2 C11H15N5O3 non-polymer 1.00 0.63 UA2 UA3 C9H13N2O9P1 non-polymer 1.00 0.48 UA3 UA4 C25F2H27N5O3 non-polymer 0.56 0.14 UA4 UA5 C8H11N1O3S1 non-polymer 0.00 0.00 UA5 UAA C6H6N2O4 non-polymer 0.00 0.00 UAA UAD C14H22N2O16P2 non-polymer 1.00 0.59 UAD UAG C28H43N5O23P2 non-polymer 1.00 0.76 UAG UAH C7H10N1O5P1 non-polymer 0.00 0.00 UAH UAL C4H7N3O3 peptide linking 0.93 0.40 UAL UAM C20H29N3O7 non-polymer 0.76 0.33 UAM UAN C7H9N5O1 non-polymer 0.00 0.00 UAN UAP C6H8O9S1 non-polymer 1.00 0.75 UAP UAR C9H13N2O9P1 RNA linking 1.00 0.48 UAR UB1 Br2C14H13N3O6S1 non-polymer 1.00 0.35 UB1 UB2 C18H28N3O7P1 peptide-like 0.47 0.76 UB2 UB3 C20H32N3O7P1 non-polymer 0.47 0.77 UB3 UBA C14H15N3O6S1 non-polymer 1.00 0.38 UBA UBB C9H13N2O7P1 non-polymer 0.00 0.00 UBB UBC C15H15N3O6 non-polymer 0.00 0.00 UBC UBD C9H14N2O12P2 RNA linking 1.00 0.40 UBD UBE C20H19N3O6S1 non-polymer 1.00 0.30 UBE UBF Br1C13H12N3O6S1 non-polymer 0.00 0.00 UBF UBI C14H22N3O9P1 DNA linking 1.00 0.70 UBI UBP C10H13N3O6 non-polymer 0.00 0.00 UBP UBR Br1C9H12N2O8P1 DNA linking 1.00 0.43 UBR UBS C20H32N3O7P1 peptide-like 0.59 0.77 UBS UBT C17H26N3O7P1 peptide-like 0.43 0.75 UBT UBU C17H28N3O5P1 peptide-like 0.00 0.00 UBU UBV C21H34N3O7P1 peptide-like 0.58 0.78 UBV UBW C20H32N3O7P1 peptide-like 0.42 0.74 UBW UBX C16H26N3O5P1 peptide-like 0.00 0.00 UBX UBY C18H28N3O7P1 peptide-like 0.64 0.76 UBY UBZ C19H30N3O7P1 peptide-like 0.61 0.77 UBZ UC1 C17Cl1H18N1O2S1 non-polymer 0.62 0.27 UC1 UC2 C17Cl1H19N2O2S1 non-polymer 0.56 0.22 UC2 UC3 C14Cl1H18N1O3S1 non-polymer 0.69 0.50 UC3 UC4 C16Cl1H18N1O4S1 non-polymer 0.69 0.26 UC4 UC5 C10H16N2O10P2 non-polymer 1.00 0.38 UC5 UC9 C24H22N4O4 non-polymer 0.00 0.06 UC9 UCA C34H52N7O19P3S1 non-polymer 1.00 0.36 UCA UCB C29Cl2H37N2O2 non-polymer 0.00 0.00 UCB UCC C32H56N7O17P3S1 non-polymer 1.00 0.38 UCC UCD C14H21N1O11 saccharide 1.00 1.00 UCD UCG C19H24N7O18P3 non-polymer 1.00 0.43 UCG UCK C19Cl2H18N2O3 non-polymer 0.00 0.00 UCK UCL C9Cl1H12N2O8P1 DNA linking 1.00 0.43 UCL UCM C24H15N3O3 non-polymer 0.00 0.00 UCM UCN C28H26N4O4 non-polymer 0.00 0.00 UCN UCP C10H17N2O13P3 non-polymer 1.00 0.32 UCP UCZ C15Cl1H18N3O1 non-polymer 0.54 0.35 UCZ UD0 C25H34N5O22P3 non-polymer 1.00 0.47 UD0 UD1 C17H27N3O17P2 non-polymer 1.00 0.64 UD1 UD2 C17H27N3O17P2 non-polymer 1.00 0.64 UD2 UD4 C17H28N4O15P2 non-polymer 1.00 0.63 UD4 UD5 C9F1H12N2O8P1 RNA linking 1.00 0.81 UD5 UD6 C18H28N2O17P2 non-polymer 1.00 0.59 UD6 UD7 C17H25N3O16P2 non-polymer 1.00 0.63 UD7 UDA C20H32N3O23P3 non-polymer 1.00 0.63 UDA UDB C21F2H30N4O4 non-polymer 0.42 0.42 UDB UDC C13H23N1O10 D-saccharide 1.00 1.00 UDC UDD C23F6H20N4 non-polymer 0.00 0.00 UDD UDG C43H77N3O20P2 non-polymer 1.00 0.41 UDG UDH C15H27N3O12P2 non-polymer 1.00 0.53 UDH UDM C18H29N3O16P2 non-polymer 1.00 0.64 UDM UDN C18H29N3O16P2 non-polymer 1.00 0.64 UDN UDO C24Cl1F3H21N3O1 non-polymer 0.00 0.00 UDO UDP C9H14N2O12P2 RNA linking 1.00 0.40 UDP UDR C27H29N3O5S1 non-polymer 0.62 0.22 UDR UDS C13H12N2O5 D-peptide linking 0.86 0.45 UDS UDT C11H22O2S1 non-polymer 0.00 0.00 UDT UDX C14H22N2O16P2 non-polymer 1.00 0.59 UDX UDY C15F1H9N4S2 non-polymer 0.00 0.00 UDY UDZ C17H27N6O16P2 non-polymer 1.00 0.61 UDZ UE1 C23H27N10O13S2 non-polymer 0.75 0.33 UE1 UEG C8H11N1O3 non-polymer 1.00 1.00 UEG UEK C29Cl2F1H30N3O3 non-polymer 0.00 0.00 UEK UEN C18F1H20N5 non-polymer 0.00 0.00 UEN UEP C11H17N2O9P1 non-polymer 1.00 0.43 UEP UET C26H29N5O4S1 non-polymer 0.00 0.00 UET UF0 C16H31N4O11P1 L-peptide linking 0.83 0.56 UF0 UF2 C9F1H12N2O8P1 DNA linking 1.00 0.43 UF2 UFB C10F1H14N2O9P1 RNA linking 1.00 0.43 UFB UFE C40Fe1H36N4O16 non-polymer 0.00 0.00 UFE UFG C15F1H23N2O16P2 non-polymer 1.00 0.58 UFG UFM C15H24N2O17P2 non-polymer 1.00 0.61 UFM UFO C11H17N3 non-polymer 0.00 0.00 UFO UFP C9F1H12N2O8P1 DNA linking 1.00 0.76 UFP UFR C10H13N2O9P1 DNA linking 1.00 0.82 UFR UFT C9F1H12N2O8P1 DNA linking 1.00 0.43 UFT UFV Br1C7F3H6N2 non-polymer 0.00 0.00 UFV UFZ C7H10N1 non-polymer 0.00 0.00 UFZ UGA C15H22N2O18P2 non-polymer 1.00 0.62 UGA UGB C15H22N2O18P2 non-polymer 1.00 0.62 UGB UGC C3H6N2O4 non-polymer 0.00 0.00 UGC UGI C18F3H21N6O1 non-polymer 0.00 0.00 UGI UGJ C15Cl1H8N5S1 non-polymer 0.00 0.00 UGJ UGT C16H19N3O1S1 non-polymer 0.00 0.00 UGT UGX C18H23N3O2S1 non-polymer 0.38 0.08 UGX UGY C3H7N3O3 peptide linking 0.00 0.00 UGY UHB C24H27N9O6 non-polymer 1.00 0.28 UHB UHD C18H25N1O3S1 non-polymer 0.00 0.00 UHD UHF C19H30N4O4 non-polymer 0.45 0.52 UHF UHH C24H39N1O4 non-polymer 0.00 0.00 UHH UHX C19F1H16N5O1 non-polymer 0.00 0.00 UHX UI1 C23H21N7O1 non-polymer 0.00 0.00 UI1 UI2 C15H13N5 non-polymer 0.00 0.00 UI2 UI3 C16H16N4O3S1 non-polymer 0.00 0.00 UI3 UIB C26H32N4O3 non-polymer 0.00 0.00 UIB UIC C29H40N2O7S1 non-polymer 0.00 0.00 UIC UIH Br1C18H14N5 non-polymer 0.00 0.00 UIH UIN C20H24O3 non-polymer 0.00 0.00 UIN UIP C26H30N4O3 non-polymer 0.00 0.00 UIP UIQ C27H32N4O3 non-polymer 0.00 0.00 UIQ UIR C27H30N4O3 non-polymer 0.00 0.00 UIR UIZ C31H32N4O3 non-polymer 0.00 0.00 UIZ UJ6 C17H13N1O5 non-polymer 0.00 0.00 UJ6 UJB C19Cl1F3H22N4O2S1 non-polymer 0.00 0.00 UJB UKA C40H47N11O6 non-polymer 1.00 0.23 UKA UKC C17H17N5O1 non-polymer 0.00 0.00 UKC UKP C32H48N6O4S1 non-polymer 0.00 0.00 UKP UKW C13H12N2O4 non-polymer 0.50 0.53 UKW UL4 C18H17N1O5 non-polymer 0.62 0.12 UL4 UL7 Br1C17Cl1H24N2O2 non-polymer 0.00 0.00 UL7 ULA C46H66N4O13 non-polymer 0.40 0.11 ULA ULF C11F1H14N2O8P1 non-polymer 1.00 0.48 ULF ULI C40H82 non-polymer 0.00 0.00 ULI ULP C25H34N5O22P3 non-polymer 1.00 0.47 ULP UM0 C14H24N2O9 non-polymer 1.00 1.00 UM0 UM1 C8H15N3O4 D-peptide linking 0.64 0.73 UM1 UM2 C7H16N2O1 L-peptide linking 0.00 0.00 UM2 UM3 C9H13N2O8P1 non-polymer 1.00 0.45 UM3 UMA C23H36N4O20P2 L-peptide linking 1.00 0.71 UMA UMC C9H15N2O8P1 non-polymer 1.00 0.45 UMC UMF C9F1H12N2O8P1 non-polymer 1.00 0.43 UMF UMG C34H47N3O18 non-polymer 1.00 0.78 UMG UMK Br1C11H14N1O1 non-polymer 0.00 0.00 UMK UML C34H55N7O24P2 non-polymer 1.00 0.75 UML UMO C10F1H14N2O9P1 non-polymer 1.00 0.43 UMO UMP C9H13N2O8P1 non-polymer 1.00 0.45 UMP UMQ C23H44O11 non-polymer 1.00 0.68 UMQ UMS C10H15N2O8P1Se1 DNA linking 1.00 0.41 UMS UMX C12H17N2O8P1 DNA linking 1.00 0.52 UMX UN1 C6H11N1O4 L-peptide linking 0.00 0.00 UN1 UN2 C4H9N1O4 L-peptide linking 0.88 1.00 UN2 UN3 C10H11N3O3S1 non-polymer 0.00 0.00 UN3 UN4 C10H12N6O2 non-polymer 0.00 0.00 UN4 UN5 C20H24N4O8S2 non-polymer 0.00 0.00 UN5 UN6 C16H19N3O7S2 non-polymer 0.00 0.00 UN6 UN7 C21H23N3O7S1 non-polymer 0.00 0.00 UN7 UN8 C27F1H28N7O4S1 non-polymer 0.00 0.00 UN8 UN9 C12Cl1H9N2O4 non-polymer 0.81 0.37 UN9 UNA C11H22O1 non-polymer 0.00 0.00 UNA UNB C27H26N4O4S1 non-polymer 0.00 0.00 UNB UNC C4H4N4O4 non-polymer 1.00 0.75 UNC UND C11H24 non-polymer 0.00 0.00 UND UNE Br1C10H7O4 non-polymer 0.00 0.00 UNE UNF C12H16O12 non-polymer 1.00 1.00 UNF UNG C12H16O12 non-polymer 1.00 1.00 UNG UNH C35H54N6O8 non-polymer 0.56 0.59 UNH UNI C28H28N2O5S1 non-polymer 0.00 0.00 UNI UNJ Br1C9H5O3 non-polymer 0.00 0.00 UNJ UNK C4H9N1O2 L-peptide linking 0.61 1.00 UNK UNM Br1C15H17N2O3 non-polymer 0.00 0.00 UNM UNN C23F2H19N3 non-polymer 0.00 0.00 UNN UNP C9H16N3O14P3 non-polymer 1.00 0.34 UNP UNQ C19H20N4O3 non-polymer 0.00 0.00 UNQ UNR C8H14N1O7P2 non-polymer 0.00 0.00 UNR UNT C24H24N4O3 non-polymer 0.00 0.00 UNT UNU C7H7N1O1 non-polymer 0.00 0.00 UNU UNV C8H11N1O6P2 non-polymer 0.00 0.00 UNV UO1 C19H18N2O3 non-polymer 0.00 0.00 UO1 UOA C11H17N2O10P1 RNA linking 1.00 0.46 UOA UOB C11H17N2O10P1 RNA linking 1.00 0.46 UOB UOC C11H22O1 non-polymer 0.00 0.00 UOC UOI C10H9N3O2 non-polymer 0.00 0.00 UOI UOQ C32H56N7O17P3S1 non-polymer 1.00 0.38 UOQ UOX C3H7N1O3Se1 L-peptide linking 0.00 0.00 UOX UP1 C15F1H23N2O16P2 non-polymer 1.00 0.58 UP1 UP2 C40H44N4O16 non-polymer 0.00 0.00 UP2 UP3 C40H38N4O16 non-polymer 0.00 0.00 UP3 UP5 C19H28N7O24P5 non-polymer 1.00 0.36 UP5 UP6 C8H12N3O9P1 non-polymer 1.00 0.48 UP6 UP8 C8H7N1O4 non-polymer 0.00 0.00 UP8 UPA C19H24N7O12P1 non-polymer 1.00 0.51 UPA UPC C10H17N2O13P3 non-polymer 1.00 0.32 UPC UPE C18H22N3O9P1 DNA linking 1.00 0.61 UPE UPF C15F1H23N2O16P2 non-polymer 1.00 0.58 UPF UPG C15H24N2O17P2 non-polymer 1.00 0.61 UPG UPL C34H70 non-polymer 0.00 0.00 UPL UPM C20H31N3O20P2 non-polymer 1.00 0.69 UPM UPN C20H29N3O19P2 non-polymer 1.00 0.68 UPN UPP C15H18N2O12P2 non-polymer 1.00 0.32 UPP UPR C9H18N3O14P3 non-polymer 1.00 0.31 UPR UPS C9H13N2O7P1S1 DNA linking 1.00 0.45 UPS UPT C9H11N2O7P1S1 non-polymer 1.00 0.50 UPT UPU C18H23N4O14P1 non-polymer 1.00 0.54 UPU UPV C15H23N2O11P1 RNA linking 1.00 0.59 UPV UPX C20H17N7O3 non-polymer 0.38 0.07 UPX UQ C59H90O4 non-polymer 0.38 0.76 UQ UQ1 C14H18O4 non-polymer 0.38 0.11 UQ1 UQ2 C19H26O4 non-polymer 0.38 0.35 UQ2 UQ5 C34H50O4 non-polymer 0.38 0.61 UQ5 UQ6 C39H60O4 non-polymer 0.38 0.65 UQ6 UQ7 C44H66O4 non-polymer 0.38 0.69 UQ7 UQ8 C49H74O4 non-polymer 0.38 0.72 UQ8 UQ9 C54H82O4 non-polymer 0.38 0.74 UQ9 UR2 C25H38N3O10P1 non-polymer 0.54 0.46 UR2 UR3 C10H15N2O9P1 RNA linking 1.00 0.45 UR3 URA C4H4N2O2 non-polymer 0.00 0.00 URA URB Br1C4H3N2O2 non-polymer 0.00 0.00 URB URC C5H4N4O3 non-polymer 0.00 0.00 URC URD C10H13N1O6 RNA linking 1.00 0.59 URD URE C1H4N2O1 non-polymer 0.00 0.00 URE URF C4F1H3N2O2 non-polymer 1.00 0.89 URF URI C9H12N2O6 non-polymer 1.00 0.59 URI URM C16H26N2O16P2 non-polymer 1.00 0.61 URM URN C4H6N4O2 non-polymer 1.00 0.90 URN URO C6H6N2O2 non-polymer 0.44 0.60 URO URP C4H8N2O3 non-polymer 0.00 0.00 URP URQ C5H10N2O3 non-polymer 0.61 0.70 URQ URS C7H8N2S1 non-polymer 0.00 0.00 URS URT C10F1H11N5O5P1 DNA OH 3 prime terminus 1.00 0.32 URT URU C20H26N5O14P1 RNA linking 1.00 0.53 URU URX C12H17N2O8P1 DNA linking 1.00 0.52 URX URY C22H23N5O2 non-polymer 0.00 0.00 URY US1 C9H13N2O7P1S1 DNA linking 1.00 0.40 US1 US2 C10H15N2O8P1S1 DNA linking 1.00 0.73 US2 US3 C10H15N2O7P1Se1 DNA linking 1.00 0.43 US3 US4 C21H28N7O11P1 DNA linking 1.00 0.65 US4 US5 C9H13N2O8P1Se1 RNA linking 1.00 0.48 US5 USC C9H9N1O6S1 non-polymer 0.00 0.00 USC USM C10H15N2O8P1S1 DNA linking 1.00 0.41 USM USQ C15H24N2O19P2S1 non-polymer 1.00 0.54 USQ UT0 C19H20N2O4S1 non-polymer 0.62 0.12 UT0 UTH C24H24N4O3 non-polymer 0.38 0.06 UTH UTP C9H15N2O15P3 non-polymer 1.00 0.34 UTP UTX B12C21H29N6O5S1 non-polymer 0.00 0.00 UTX UU3 C6H6O6 non-polymer 1.00 1.00 UU3 UU4 C7H15N3O4 L-peptide linking 0.53 1.00 UU4 UU5 C6H10N2O4 L-peptide linking 0.54 1.00 UU5 UUA C9H10N2O7 non-polymer 1.00 0.61 UUA UUD C9H8N2O1S1 non-polymer 0.00 0.00 UUD UUL C15Cl1H11N2O1S1 non-polymer 0.00 0.00 UUL UUN C12H11N3O3S1 non-polymer 0.00 0.00 UUN UUU C7H15N1O5 non-polymer 1.00 1.00 UUU UV4 C14H10N2O3 non-polymer 0.00 0.00 UV4 UV8 Br1C24H27O2 non-polymer 0.38 0.07 UV8 UVC C9H12N2O9V1 non-polymer 1.00 0.48 UVC UVP C11H16N2O8P1 non-polymer 1.00 0.45 UVP UVW C2H5O5P1 non-polymer 0.00 0.00 UVW UVX C12H15N2O8P1 DNA linking 1.00 0.52 UVX UW1 C19H23N5O2 non-polymer 0.39 0.19 UW1 UW2 C21H22N6O2 non-polymer 0.50 0.21 UW2 UW3 C23H27N5O2 non-polymer 0.00 0.00 UW3 UW4 C21H25N5O2 non-polymer 0.39 0.18 UW4 UW5 C22H23N5O2 non-polymer 0.50 0.21 UW5 UW9 C24H30N6O1 non-polymer 0.20 0.10 UW9 UWA C21H23N5O1 non-polymer 0.00 0.00 UWA UWB C23H26N6O1 non-polymer 0.00 0.00 UWB UWN C32H43N5O2 non-polymer 0.00 0.00 UWN UWU C15Cl1H9O3 non-polymer 0.00 0.00 UWU UWX C24H30N4O5S1 non-polymer 0.00 0.00 UWX UX0 C15H19N3O4 non-polymer 1.00 0.45 UX0 UX4 C21H29N5O4S1 non-polymer 0.00 0.00 UX4 UX9 C42H49N5O6 non-polymer 0.38 0.04 UX9 UXH C12Cl1H10N5O2 non-polymer 0.00 0.00 UXH UZ9 C30H50N2O4 non-polymer 0.00 0.00 UZ9 UZR C9H13N5O8P1 non-polymer 1.00 0.43 UZR V V1 non-polymer 0.00 0.00 V V02 C23H25N1O1S1 non-polymer 0.00 0.00 V02 V04 C16F1H14I1N4O3 non-polymer 0.84 0.28 V04 V0L C17H15N9 non-polymer 0.00 0.00 V0L V0N C17F1H25N2O4 non-polymer 1.00 0.46 V0N V10 C13H22N2O7S2 non-polymer 0.58 0.46 V10 V11 C22H25N1O3 non-polymer 0.00 0.00 V11 V12 C18H20N6O5 non-polymer 1.00 0.34 V12 V13 C8F4H7N1O5S2 non-polymer 0.00 0.00 V13 V14 C16F3H23N2O5S2 non-polymer 0.00 0.00 V14 V15 C12H13N3O1 non-polymer 0.00 0.00 V15 V16 C12H18N2O1 non-polymer 0.00 0.00 V16 V1A C8H15N2O3S2 non-polymer 0.00 0.00 V1A V1F C21F3H19N2O4S2 non-polymer 0.00 0.00 V1F V1L C5H9N1O1 non-polymer 0.00 0.00 V1L V1N C19H21N6O7P1 non-polymer 1.00 0.27 V1N V1T C10H11N3O2 non-polymer 0.00 0.00 V1T V20 C13H22N2O7S2 non-polymer 0.58 0.46 V20 V21 C9H8N4O2S3 non-polymer 0.00 0.00 V21 V24 C34H41N5O12S1 non-polymer 1.00 0.50 V24 V25 C15Cl2H13N3O2 non-polymer 0.75 0.23 V25 V26 C15F3H15N2O4S2 non-polymer 0.00 0.00 V26 V28 C28H35N5O9S1 non-polymer 1.00 0.53 V28 V2C C22Cl1H23N2O5 non-polymer 0.97 0.13 V2C V2H C28H44O2 non-polymer 0.38 0.27 V2H V2Z C12H13N3O1 non-polymer 0.00 0.00 V2Z V30 C12H15N3O3S2 non-polymer 0.00 0.00 V30 V35 B1C10Cl1H14N1O4 non-polymer 0.00 0.00 V35 V36 B1C10Cl1H14N1O4 non-polymer 0.00 0.00 V36 V37 C22H25N1O2 non-polymer 0.00 0.00 V37 V38 C23H28N1O3 non-polymer 0.00 0.00 V38 V3A C11F1H17N5O11P3 non-polymer 1.00 0.29 V3A V3L C15H23N5O14P2 RNA linking 1.00 0.53 V3L V45 C23Cl1H30N3O5 non-polymer 0.00 0.00 V45 V49 C13F4H6N2O2S3 non-polymer 0.00 0.00 V49 V4E C12H20N4O10P3S1 non-polymer 0.00 0.00 V4E V4O O12V4 non-polymer 0.00 0.00 V4O V4Z C17Cl1F1H19N7O1 non-polymer 0.58 0.15 V4Z V50 C12F4H9N3O2S2 non-polymer 0.00 0.00 V50 V51 C16F4H18N2O2S1 non-polymer 0.00 0.00 V51 V55 C8H8O3 non-polymer 0.00 0.00 V55 V56 C24Cl1H36N3O5 non-polymer 0.00 0.00 V56 V5A C10H13N5O6V1 non-polymer 1.00 0.45 V5A V5X C36H41N5O5 non-polymer 0.00 0.00 V5X V63 C14H17N1O2 non-polymer 0.00 0.00 V63 V64 C29H48N6O7 non-polymer 0.56 0.12 V64 V65 C21Cl1H27N6O2 non-polymer 1.00 0.37 V65 V66 C30H50N6O7 non-polymer 0.56 0.12 V66 V68 C26H32N6O1 non-polymer 0.56 0.15 V68 V69 C23H43N3O5 non-polymer 0.00 0.00 V69 V6F C8H14N2O3 non-polymer 0.00 0.00 V6F V71 C12F1H25N4O5 non-polymer 1.00 0.95 V71 V78 C40H55N5O6S1 non-polymer 0.38 0.04 V78 V7H C28H28N2O7 non-polymer 0.00 0.00 V7H V7O O19V7 non-polymer 0.00 0.00 V7O V7V C14H10N4O2 non-polymer 0.00 0.00 V7V V8W C5H12N2O1 non-polymer 0.00 0.00 V8W V90 C16F3H23N2O3S2 non-polymer 0.00 0.00 V90 V98 C31Cl1H38N3O4S2 non-polymer 0.00 0.00 V98 V9C C9H11N1O2 non-polymer 0.00 0.00 V9C VA C20H38O2 non-polymer 0.65 0.59 VA VA1 B1C11H10N1O4S1 non-polymer 0.76 0.28 VA1 VA3 O8V3 non-polymer 0.00 0.00 VA3 VA4 C11Cl1H17N5O11P3 non-polymer 1.00 0.29 VA4 VA5 C11Cl1F1H16N5O11P3 non-polymer 1.00 0.28 VA5 VA6 C11F2H16N5O11P3 non-polymer 1.00 0.28 VA6 VA7 C11Cl2H16N5O11P3 non-polymer 1.00 0.28 VA7 VAA C15H24N8O6S1 non-polymer 1.00 0.33 VAA VAB C14H14N2O3S2 non-polymer 0.42 0.14 VAB VAC C39H42N2O5 non-polymer 0.00 0.00 VAC VAD C5H10O3 L-peptide linking 0.80 1.00 VAD VAE C16H12O6 non-polymer 0.50 0.32 VAE VAF C6H13N1O1 L-peptide linking 0.00 0.00 VAF VAH C5H11N1O3 L-peptide linking 0.68 1.00 VAH VAI C5H13N1O2 peptide-like 0.59 1.00 VAI VAK C22H20O8 non-polymer 0.40 0.23 VAK VAL C5H11N1O2 L-peptide linking 0.59 1.00 VAL VAL_LEO2 C5H9N1O2 NA 0.55 1.00 VAL_LEO2 VAL_LEO2H C5H10N1O2 NA 0.59 1.00 VAL_LEO2H VAL_LFOH C5H11N1O2 NA 0.59 1.00 VAL_LFOH VAL_LFZW C5H11N1O2 NA 0.55 1.00 VAL_LFZW VAL_LL C5H9N1O1 NA 0.00 0.00 VAL_LL VAL_LSN3 C5H11N1O1 NA 0.00 0.00 VAL_LSN3 VAM C13H24O10S1 non-polymer 1.00 0.92 VAM VAO C13H8N2O3 non-polymer 0.00 0.00 VAO VAP C14H17N1O4 non-polymer 0.00 0.00 VAP VAR C14H11N7O1 non-polymer 0.00 0.00 VAR VAS C15H29N1O3 peptide-like 0.00 0.00 VAS VAU C8H14O6 non-polymer 1.00 1.00 VAU VAW C27H36N2O9 non-polymer 1.00 0.42 VAW VAZ C13H22N2O9S2 non-polymer 0.99 0.54 VAZ VB1 C13H23N3O6S1 L-peptide linking 0.61 0.30 VB1 VBC C13H11N1O2 non-polymer 0.00 0.00 VBC VBM C23F3H16N7O2 non-polymer 0.00 0.00 VBM VBN C35H39N5O11 non-polymer 0.00 0.00 VBN VBP C15H15N3O6 non-polymer 0.00 0.00 VBP VBZ C15H21N1O4 non-polymer 1.00 0.65 VBZ VC1 C23Cl1F1H20O4 non-polymer 0.97 0.14 VC1 VC2 C9H15N1O2S3 non-polymer 0.00 0.00 VC2 VC3 C9H7N3O2 non-polymer 0.00 0.00 VC3 VC4 C22Cl1H20N1O4 non-polymer 0.97 0.14 VC4 VC5 C23Cl1H21O4 non-polymer 0.97 0.14 VC5 VC6 C10Cl1F1H16N3O12P3 non-polymer 1.00 0.30 VC6 VC8 C10Cl2H16N3O12P3 non-polymer 1.00 0.30 VC8 VC9 Br2C10H16N3O12P3 non-polymer 1.00 0.30 VC9 VCA C18H34O2 non-polymer 0.42 0.30 VCA VCE C13H12O6 non-polymer 0.56 0.47 VCE VD1 C23H36O2 non-polymer 0.25 0.08 VD1 VD2 C27H46O3 non-polymer 0.55 0.20 VD2 VD3 C27H44O1 non-polymer 0.25 0.18 VD3 VD4 C27H42O3 non-polymer 0.55 0.27 VD4 VD5 C27H42O3 non-polymer 0.55 0.27 VD5 VD9 C9H13N1O2S2 non-polymer 0.00 0.00 VD9 VDA C28H46O5S1 non-polymer 0.25 0.06 VDA VDB C28H46O5S1 non-polymer 0.30 0.15 VDB VDL C4H10N2O2 D-peptide linking 0.50 1.00 VDL VDM C14H25N1O8 non-polymer 1.00 0.52 VDM VDN C23H32N6O4S1 non-polymer 0.00 0.00 VDN VDO C14H26N1O11P1 non-polymer 1.00 0.44 VDO VDP C37H53N1O4 non-polymer 0.25 0.05 VDP VDX C27H44O3 non-polymer 0.55 0.20 VDX VDY C27H44O2 non-polymer 0.55 0.21 VDY VDZ C27H44O3 non-polymer 0.55 0.20 VDZ VEA C33Fe1H31N4O5 non-polymer 0.38 0.09 VEA VEK Br1C19H21N8O1 non-polymer 0.00 0.00 VEK VER C30Fe1H27N4O3 non-polymer 0.38 0.11 VER VES C4H9N1 non-polymer 0.00 0.00 VES VET C10H17N2O8P1 DNA linking 1.00 0.81 VET VFB C8H7N4 non-polymer 0.00 0.00 VFB VFC C22F1H19N8O2 non-polymer 0.40 0.24 VFC VFV C32F2H23N5O2 non-polymer 0.00 0.00 VFV VG0 C32H48N4O3 non-polymer 0.45 0.38 VG0 VG1 C6H13O12P1V1 D-saccharide 1.00 0.60 VG1 VG2 C22Cl1H28N3O2 non-polymer 0.00 0.00 VG2 VG3 C31H45N3O5S1 non-polymer 0.40 0.38 VG3 VG4 C33H44N4O5 non-polymer 0.58 0.45 VG4 VG5 C32H45N5O4 non-polymer 0.40 0.37 VG5 VG6 C31F3H35N4O3 non-polymer 0.00 0.00 VG6 VG7 C29H40N4O3 non-polymer 0.00 0.00 VG7 VG8 C30Cl1H36N7O2 non-polymer 0.00 0.00 VG8 VG9 C19H24N6O2 non-polymer 0.00 0.00 VG9 VGA C22H19N3O1S1 non-polymer 0.00 0.00 VGA VGB C19H26N3O4 non-polymer 1.00 0.46 VGB VGC C20H21N1O2S1 non-polymer 0.00 0.00 VGC VGD C7Cl1H6N3 non-polymer 0.00 0.00 VGD VGF C20Cl2H15N3 non-polymer 0.00 0.00 VGF VGG C17H21N5 non-polymer 0.39 0.23 VGG VGH C21Cl2F1H22N5O1 non-polymer 0.00 0.00 VGH VGI Br1C20H15N2O3 non-polymer 0.00 0.00 VGI VGJ C20H40O2 non-polymer 0.00 0.00 VGJ VGK C21H20N2O5 non-polymer 0.00 0.00 VGK VGL C5H4N2O2 non-polymer 0.00 0.00 VGL VGM C19H17N3O3 non-polymer 0.00 0.00 VGM VGN C21H17N1O3 non-polymer 0.00 0.00 VGN VGP C27H28O9 non-polymer 1.00 0.42 VGP VGX C4H6O4 non-polymer 0.97 1.00 VGX VH0 C8H13N5O2 L-peptide linking 0.00 0.00 VH0 VH1 C19H13N2O5S1 non-polymer 0.00 0.00 VH1 VH2 Br1C20H15N2O3S2 non-polymer 0.00 0.00 VH2 VHA C21H21N3O2S1 non-polymer 0.00 0.00 VHA VHC C22H22N4O2S1 non-polymer 0.00 0.00 VHC VHD C18H19N1O3 non-polymer 0.00 0.00 VHD VHE C19H23N5O2S1 non-polymer 0.00 0.00 VHE VHH C12H20N2O3S1 non-polymer 0.00 0.00 VHH VHI C18H22N2O5S1 non-polymer 0.00 0.00 VHI VHS C21Cl2F1H22N5O1 non-polymer 0.00 0.00 VHS VHT C19F2H16N4O5 non-polymer 1.00 0.63 VHT VHW C34H50O7 non-polymer 0.75 0.32 VHW VI C17H12N2O4 non-polymer 0.00 0.00 VI VIA C22H30N6O4S1 non-polymer 0.00 0.00 VIA VIB C12H17N4O1S1 non-polymer 0.00 0.00 VIB VIF C28F1H38N3O6 non-polymer 0.00 0.00 VIF VIG C6H13N1O2 non-polymer 0.00 0.00 VIG VII C18H12O5 non-polymer 0.00 0.00 VII VIN C27H24N2O3 non-polymer 0.58 0.12 VIN VIO C9H20N3O2 non-polymer 0.43 0.71 VIO VIQ C16H23N3O3S1 non-polymer 0.00 0.00 VIQ VIR C28H35N3O7 non-polymer 0.00 0.00 VIR VIS C19Cl2H14N2O3S1 non-polymer 0.00 0.00 VIS VIT C29H50O2 non-polymer 0.00 0.00 VIT VIV C29H50O2 non-polymer 0.00 0.00 VIV VJ6 C28H41N3O9 non-polymer 0.00 0.00 VJ6 VJJ C13H10O3 non-polymer 0.00 0.00 VJJ VJK C18F3H19N6O1 non-polymer 0.42 0.11 VJK VJP C11H14N2O3S1 non-polymer 0.00 0.00 VJP VK3 C11H8O2 non-polymer 0.00 0.00 VK3 VKC C4H8O4 non-polymer 1.00 1.00 VKC VKE C11H9O7P1 non-polymer 0.00 0.00 VKE VKJ C30H28N5O10P1 non-polymer 1.00 0.20 VKJ VL4 C27H32N2O7 non-polymer 0.00 0.00 VL4 VLB C46H58N4O9 non-polymer 0.60 0.27 VLB VLL C4H10N2O2 L-peptide linking 0.50 1.00 VLL VLM C5H12N2O1 L-peptide linking 0.00 0.00 VLM VLT C11H13N1O3 peptide-like 0.50 0.53 VLT VM1 C10H7N1O2S1 non-polymer 0.00 0.00 VM1 VM2 C13H25N1O4 non-polymer 1.00 0.61 VM2 VM7 C14H12O4S1 non-polymer 0.00 0.00 VM7 VME C6H13N1O2 peptide-like 0.55 0.89 VME VMP C18H20N2O7 non-polymer 1.00 0.56 VMP VMS C15H23N7O7S1 L-peptide linking 1.00 0.33 VMS VMX C13H21N7O5S1 non-polymer 1.00 0.38 VMX VMY C18F2H16N6O1S2 non-polymer 0.00 0.00 VMY VN3 O3V1 non-polymer 0.00 0.00 VN3 VN4 O3V1 non-polymer 0.00 0.00 VN4 VNF C24Cl1H20N3O1 non-polymer 0.00 0.00 VNF VNI C26Cl2H19N5O2 non-polymer 0.00 0.00 VNI VNJ C8H9N1O1 non-polymer 0.62 0.30 VNJ VNK C27H52N4O5 non-polymer 0.20 0.08 VNK VNL C8H7O4 non-polymer 0.00 0.00 VNL VNP C12H20N5O6P2S1 non-polymer 0.00 0.00 VNP VNR C23H35N4O16P3 non-polymer 1.00 0.35 VNR VNT C25Cl2H18N6O2 non-polymer 0.00 0.00 VNT VNY C21H24O5 non-polymer 1.00 0.58 VNY VO1 C16H15N3O1S1 non-polymer 0.00 0.00 VO1 VO2 C17H17N3O1S1 non-polymer 0.00 0.00 VO2 VO3 O13V4 non-polymer 0.00 0.00 VO3 VO4 O4V1 non-polymer 0.00 0.00 VO4 VOD C9H10O3S1 non-polymer 0.38 0.15 VOD VOG C10H21N1O7 non-polymer 1.00 1.00 VOG VOH C9H12O3 non-polymer 0.00 0.00 VOH VOL C5H13N1O1 L-peptide linking 0.50 1.00 VOL VOR C16F3H14N5O1 non-polymer 0.00 0.00 VOR VOV C35Fe1H34N4O6 non-polymer 0.38 0.04 VOV VPA C19H28N2O9 non-polymer 1.00 0.70 VPA VPC C32Ga1H16N8 non-polymer 0.00 0.00 VPC VPF C22H32N3O8P1 peptide-like 0.00 0.00 VPF VPM C7H12O5 non-polymer 0.79 1.00 VPM VPP C23H29N5O8S1 non-polymer 0.00 0.00 VPP VPR C8H17N1O1 non-polymer 0.00 0.00 VPR VPU C18H25N3O7 non-polymer 1.00 0.61 VPU VPX C29F1H33N2O4 non-polymer 0.25 0.14 VPX VQ7 C23Cl1F5H19N3O5S1 non-polymer 1.00 0.24 VQ7 VQI C23H27N1O3 non-polymer 0.58 0.19 VQI VR C5H13O3P1 non-polymer 0.56 0.56 VR VR0 C8H17N5O3 L-peptide linking 0.43 0.94 VR0 VR1 C24F1H19N4O7S2 non-polymer 0.21 0.18 VR1 VR2 C20H24I1N3O2 non-polymer 0.00 0.00 VR2 VRA C19F3H20I1N2O5S1 non-polymer 0.00 0.00 VRA VRB C33H42N4O6 non-polymer 0.00 0.00 VRB VRG C24H35N7O8 non-polymer 0.86 0.79 VRG VRO C14H14N2O5 non-polymer 1.00 0.62 VRO VRT C15H23N7O4 non-polymer 1.00 0.38 VRT VRV Br1C18H11N2O2 non-polymer 0.00 0.00 VRV VRX C18F1H15N2O4S1 non-polymer 0.21 0.27 VRX VRZ C25H26N6O1 non-polymer 0.00 0.00 VRZ VS0 C24H23N5O1 non-polymer 0.00 0.00 VS0 VS1 C31H37N3O5S1 non-polymer 0.00 0.00 VS1 VS2 C35H38N2O5S1 non-polymer 0.00 0.00 VS2 VS3 C34H35N3O8S1 non-polymer 0.00 0.00 VS3 VS4 C33H43N5O5S1 non-polymer 0.00 0.00 VS4 VS8 C24H25N5 non-polymer 0.00 0.00 VS8 VSA C24H24N6O1 non-polymer 0.00 0.00 VSA VSB C29H34N6O1 non-polymer 0.00 0.00 VSB VSC C34H36N2O6S1 peptide-like 0.00 0.00 VSC VSE C29H34N6O1 non-polymer 0.00 0.00 VSE VSF C23H22N4O2 non-polymer 0.00 0.00 VSF VSG C24H25N5O1 non-polymer 0.00 0.00 VSG VSH C20H26N6O3 non-polymer 0.56 0.31 VSH VSI C21Cl2H18N6O2 non-polymer 0.00 0.00 VSI VSK C22H27N3O1 non-polymer 0.00 0.00 VSK VSO C2H4O3S1 non-polymer 0.00 0.00 VSO VSP C17H22N6O2S1 non-polymer 0.36 0.15 VSP VSV C23H21N3O7S1 non-polymer 0.68 0.35 VSV VT0 C13H13N3O6P2S1 non-polymer 0.00 0.00 VT0 VT1 C23F7H16N5O2 non-polymer 0.00 0.00 VT1 VT2 C31F4H22N6O2 non-polymer 0.25 0.05 VT2 VT3 C15H12N2O2 non-polymer 0.00 0.00 VT3 VT4 C19H25N1O2 non-polymer 0.00 0.00 VT4 VT5 C18Cl1F1H19N1O3 non-polymer 1.00 0.54 VT5 VT6 C11Cl1F1H17N2O13P3 non-polymer 1.00 0.55 VT6 VT7 C11F2H17N2O13P3 non-polymer 1.00 0.55 VT7 VT8 C11Cl2H17N2O13P3 non-polymer 1.00 0.55 VT8 VTB C7H15O10P1 non-polymer 1.00 0.78 VTB VTI C20Cl2H19N5O2 non-polymer 0.00 0.00 VTI VTP C40H68O7P2 non-polymer 0.62 0.84 VTP VTQ C29H50O3 non-polymer 0.00 0.00 VTQ VU2 C15Cl1H16N1O1 non-polymer 0.00 0.00 VU2 VU3 C21H24N2 non-polymer 0.00 0.00 VU3 VUP C11H12N6O1 non-polymer 0.00 0.00 VUP VUR C7H15N3O2S1 non-polymer 0.43 0.77 VUR VV6 H12O17V6 non-polymer 0.00 0.00 VV6 VVA C21H44N1O6P1 non-polymer 0.78 0.45 VVA VVO O1V1 non-polymer 0.00 0.00 VVO VVQ C16Cl1H14N5O1 non-polymer 0.00 0.00 VVQ VVS C22H30N4O1 non-polymer 0.38 0.22 VVS VVT C15Cl1H10N3 non-polymer 0.00 0.00 VVT VVV C13H15N1O4 non-polymer 0.00 0.00 VVV VVX C26H28N6O1 non-polymer 0.36 0.12 VVX VWN C17H19N5O2 non-polymer 0.00 0.00 VWN VWS C16Cl1H12N1O5S1 non-polymer 0.00 0.00 VWS VWW C23H27N3O6S1 peptide-like 0.00 0.00 VWW VX C3H9O3P1 non-polymer 0.50 0.71 VX VX1 C17Cl1H11N4O1 non-polymer 0.00 0.00 VX1 VX2 C18F3H18N5 non-polymer 0.00 0.00 VX2 VX3 C21H15N1O2 non-polymer 0.00 0.00 VX3 VX6 C23H28N8O1S1 non-polymer 1.00 0.24 VX6 VX7 C24H28N2O3 non-polymer 0.38 0.21 VX7 VXA C1H4O2P1 non-polymer 0.00 0.00 VXA VXL C31H43N3O10S1 non-polymer 1.00 0.33 VXL VXO C25H28N2O5 non-polymer 0.00 0.00 VXO VXQ C9H11N1O1 non-polymer 0.00 0.00 VXQ VXR C18F1H15N6O2S1 non-polymer 0.21 0.25 VXR VXU C10H13N1O2 non-polymer 0.00 0.00 VXU VXX C9H10O4 non-polymer 0.97 0.31 VXX VYA C17H21N3O4 L-peptide linking 0.00 0.00 VYA VYD C24Cl1H37N4O2 non-polymer 0.00 0.00 VYD VYE C23Cl1H35N4O2 non-polymer 0.00 0.00 VYE VYF C27Cl1H43N4O2 non-polymer 0.00 0.00 VYF VYI C21F2H18N2O3S1 non-polymer 0.00 0.00 VYI VYR C28Cl1H33N4O7S2 non-polymer 0.00 0.00 VYR VZ4 C20H27N1O4S1 non-polymer 0.00 0.00 VZ4 VZ5 C20H29N1O4S1 non-polymer 0.00 0.00 VZ5 VZV C29Cl2H32N4O2S1 non-polymer 0.20 0.08 VZV VZZ C12H22O4S1 non-polymer 0.00 0.00 VZZ W W1 non-polymer 0.00 0.00 W W01 C17H21N5O2 non-polymer 0.00 0.00 W01 W02 C17H21N5O2 non-polymer 0.00 0.00 W02 W03 C19H22N2O3 non-polymer 0.00 0.00 W03 W05 C12H21N3O6S1 non-polymer 0.64 0.27 W05 W06 C17F11H11N2O3 non-polymer 0.38 0.30 W06 W07 C24H34O5 non-polymer 0.98 0.59 W07 W09 C20F17H11N2O3 non-polymer 0.38 0.24 W09 W0I C18F1H21O2 non-polymer 0.00 0.00 W0I W0T C18F13H11N2O3 non-polymer 0.38 0.28 W0T W10 C21F19H11N2O3 non-polymer 0.38 0.22 W10 W11 C18F3H18N3O3 non-polymer 0.00 0.00 W11 W12 C28H42O5 non-polymer 0.98 0.42 W12 W13 C23Cl3H22N1O3S1 non-polymer 0.00 0.00 W13 W14 C11F3H10N1O2 non-polymer 0.00 0.00 W14 W16 C4Cl1H6N3S1 non-polymer 0.00 0.00 W16 W19 C25Cl1H22N5O3S1 non-polymer 0.64 0.17 W19 W1G C15H14O2 non-polymer 0.31 0.24 W1G W1Z C23F23H11N2O3 non-polymer 0.38 0.20 W1Z W22 C12H14N2O3 non-polymer 0.00 0.00 W22 W23 C10F3H10N1O3S1 non-polymer 0.00 0.00 W23 W29 C12H12O2S1 non-polymer 0.00 0.00 W29 W2C C22H24N4O2 non-polymer 0.00 0.00 W2C W2D C17H14N6O4S1 non-polymer 0.00 0.00 W2D W2E C16H12N2O3 non-polymer 0.97 0.19 W2E W2K C22H23N5O2 non-polymer 0.00 0.00 W2K W2P C27Cl1F3H28N6O2 non-polymer 0.20 0.08 W2P W2R C29Cl1H33N6O4 non-polymer 0.61 0.18 W2R W2X C15H24N2O8S1 non-polymer 0.85 0.35 W2X W30 C17H24N4O1 non-polymer 0.50 0.23 W30 W31 C28Cl3H23O4S1 non-polymer 0.38 0.28 W31 W32 C25Cl1F3H23N5O4S1 non-polymer 0.00 0.00 W32 W33 C18Cl1H21N2O3 non-polymer 0.00 0.00 W33 W35 C18H22N2O3 non-polymer 0.00 0.00 W35 W37 Br1C25H29N2O1 non-polymer 0.43 0.17 W37 W42 C21Cl2H26N2O6 non-polymer 0.62 0.32 W42 W43 C21Cl1H27N2O3 non-polymer 0.00 0.00 W43 W45 C15Cl2H18N2O1S1 non-polymer 0.00 0.00 W45 W4A C18F3H20N3O2 non-polymer 0.00 0.00 W4A W4N C15H18O6 non-polymer 0.00 0.00 W4N W54 C18Cl2H20N2O3 non-polymer 0.00 0.00 W54 W56 C19H24N2O3 non-polymer 0.00 0.00 W56 W59 C22H30N2O3 non-polymer 0.00 0.00 W59 W61 C22F3H26N5O1S1 non-polymer 0.00 0.00 W61 W64 C18H25N5 non-polymer 0.00 0.00 W64 W66 C17H24N4 non-polymer 0.00 0.00 W66 W67 C18H26N4 non-polymer 0.20 0.14 W67 W68 C18F1H24N3 non-polymer 0.00 0.00 W68 W69 C19F1H26N3 non-polymer 0.20 0.13 W69 W6Q C13H20N2O2 non-polymer 0.50 0.47 W6Q W6Y C18H14N2O6 non-polymer 1.00 0.50 W6Y W70 C19H16N2O5 non-polymer 1.00 0.50 W70 W71 C20H26N2O3 non-polymer 0.00 0.00 W71 W72 C11H21N1O9 non-polymer 1.00 1.00 W72 W73 C21H16N2O4 non-polymer 1.00 0.48 W73 W74 C14F3H11N2O5 non-polymer 1.00 0.54 W74 W75 C15H16N2O6 non-polymer 1.00 0.57 W75 W76 C14H14N2O5 non-polymer 1.00 0.62 W76 W77 C12Cl2H8N2O1 non-polymer 0.00 0.00 W77 W79 C21H24N4 non-polymer 0.00 0.00 W79 W7A C19H16N2O4 non-polymer 1.00 0.52 W7A W7B C17H14N2O4 non-polymer 1.00 0.57 W7B W7C C18H16N2O5 non-polymer 1.00 0.52 W7C W7D C18H16N2O5 non-polymer 1.00 0.52 W7D W7E C24H26N4O7S1 non-polymer 0.65 0.25 W7E W7F C18H16N2O5 non-polymer 1.00 0.52 W7F W7G C14H14N2O5 non-polymer 1.00 0.62 W7G W7H C17H14N2O4 non-polymer 1.00 0.57 W7H W7I C18H16N2O5 non-polymer 1.00 0.52 W7I W7J C18H14N2O6 non-polymer 1.00 0.50 W7J W7K C19H18N2O6 non-polymer 1.00 0.48 W7K W7L C18H16N2O5 non-polymer 1.00 0.52 W7L W7M C19H16N2O6 non-polymer 1.00 0.63 W7M W7N C20H19N3O6 non-polymer 1.00 0.66 W7N W7O C14H12N2O6 non-polymer 1.00 0.59 W7O W7P C14H12N2O6 non-polymer 1.00 0.59 W7P W7Q C20H23N3O6 non-polymer 1.00 0.62 W7Q W80 C21H24N4 non-polymer 0.00 0.00 W80 W81 C9H13N1O3 non-polymer 0.00 0.00 W81 W82 C22F1H24N3 non-polymer 0.00 0.00 W82 W83 C19H18N2O6 non-polymer 1.00 0.48 W83 W84 C21H28N2O3 non-polymer 0.00 0.00 W84 W85 C15H14N2O6 non-polymer 1.00 0.74 W85 W86 C17H18N2O6 non-polymer 1.00 0.68 W86 W87 C21H20N2O6 non-polymer 1.00 0.59 W87 W88 C20H18N2O6 non-polymer 1.00 0.46 W88 W8G C10H13N5S1 non-polymer 0.00 0.00 W8G W8L C16Cl1H12N1O1 non-polymer 0.00 0.00 W8L W8R C21H28N2O3 non-polymer 0.00 0.00 W8R W8X Br1C16Cl1H13N1O4 non-polymer 0.00 0.00 W8X W8Z C19H18N2O6 non-polymer 1.00 0.48 W8Z W91 C16Cl2H16N2O3 non-polymer 0.00 0.00 W91 W94 C23F3H28N5O1S1 non-polymer 0.00 0.00 W94 W9L C13H14N2O1 non-polymer 0.00 0.00 W9L W9M C9Cl2H10N2O1 non-polymer 0.20 0.21 W9M W9T C12H22O11 non-polymer 1.00 1.00 W9T W9Z C20H17N7 non-polymer 0.00 0.00 W9Z WA1 C9H8N4O1S1 non-polymer 0.00 0.00 WA1 WA2 C10H15N5O1 non-polymer 0.55 0.38 WA2 WA5 C16F2H12N4O3 non-polymer 1.00 0.56 WA5 WAC C21H29N3O3S1 non-polymer 0.00 0.00 WAC WAI C22Cl1H26N7 non-polymer 0.00 0.00 WAI WAN C15H19N5O4S2 non-polymer 0.00 0.00 WAN WAQ C17H24N5O10P1 non-polymer 1.00 0.48 WAQ WAY C21H21N3O5S1 non-polymer 0.00 0.00 WAY WBI C22H22N4O2 non-polymer 0.00 0.00 WBI WBT C26F1H25N4O2 non-polymer 0.00 0.00 WBT WBU C4H5N3O2 non-polymer 1.00 1.00 WBU WC1 C21H27N1O6P2 non-polymer 0.00 0.00 WC1 WCA C30H42N7O18P3S1 non-polymer 1.00 0.46 WCA WCC FE3NI1S4 non-polymer 0.00 0.00 WCC WCE C7Cl1H6N1O1 non-polymer 0.00 0.00 WCE WCO Co1O39P1W11 non-polymer 0.00 0.00 WCO WCP C26F1H26N5O5 non-polymer 0.00 0.00 WCP WCR C13H15N3O5 L-peptide linking 0.00 0.00 WCR WCU C13H12N2O2 non-polymer 0.00 0.00 WCU WCX C29F3H29N4O3 non-polymer 0.00 0.00 WCX WDL C3H3N3O3 non-polymer 1.00 1.00 WDL WDR C16H19N3O4 non-polymer 0.00 0.00 WDR WDS C24H28N4O2S1 non-polymer 0.00 0.00 WDS WDT C12H9N1O5S1 non-polymer 0.00 0.00 WDT WDU C11Cl2H8N4O3 non-polymer 0.00 0.00 WDU WDV C18F3H18N3O3 non-polymer 0.00 0.00 WDV WDW C15H16N2O1 non-polymer 0.00 0.00 WDW WDX C17H22N2O2 non-polymer 0.00 0.00 WDX WE0 C28H35N3O7 non-polymer 0.72 0.21 WE0 WEF C21F3H17N2O4S1 non-polymer 0.45 0.29 WEF WF3 C22F3H19N2O4 non-polymer 0.97 0.26 WF3 WF4 C12F3H8N1O2S1 non-polymer 0.00 0.00 WF4 WF8 C15H16N6O1 non-polymer 0.36 0.18 WF8 WFE C20F2H22N6O1 non-polymer 0.00 0.00 WFE WFF C18F2H11N1O4 non-polymer 0.00 0.00 WFF WFG C19F1H14N1O4 non-polymer 0.00 0.00 WFG WFP C9F2H9N1O2 L-peptide linking 0.00 0.00 WFP WG8 C13H10N2O3S1 non-polymer 0.00 0.00 WG8 WGG C17H15N3O3 non-polymer 0.00 0.00 WGG WGT C11H11N1O2S2 non-polymer 0.75 0.31 WGT WGX C25H30N4O4S1 non-polymer 0.00 0.00 WGX WGZ C27F3H27N4O3S1 non-polymer 1.00 0.26 WGZ WH6 C23H17N1O6 non-polymer 0.00 0.00 WH6 WHA C19Cl1H18N5O2S1 non-polymer 0.00 0.00 WHA WHF C9H9N3O1S2 non-polymer 0.00 0.00 WHF WHH C26F1H22N3O6 non-polymer 0.00 0.00 WHH WHJ C21H24N2O4 non-polymer 0.00 0.00 WHJ WHU Br1C18Cl2F1H11N5O2 non-polymer 0.00 0.00 WHU WHW C18H28O3 non-polymer 0.42 0.29 WHW WI2 C17H20N4O3 non-polymer 0.00 0.00 WI2 WI4 C13Cl1H10N5 non-polymer 0.00 0.00 WI4 WIA C7H12O5S1 non-polymer 1.00 0.85 WIA WIN C28H36O11 non-polymer 1.00 0.64 WIN WJ1 C9Cl1H9O2 non-polymer 0.00 0.00 WJ1 WJ2 C9Cl1H9O2 non-polymer 0.00 0.00 WJ2 WJZ C5H9N1O3S1 non-polymer 0.00 0.00 WJZ WL3 C14F1H9O3 non-polymer 0.00 0.00 WL3 WLH C13H20N4O1 non-polymer 0.00 0.00 WLH WLL C15H13N3O3S1 non-polymer 0.00 0.00 WLL WLM C21Cl1H23N4O4S2 non-polymer 0.00 0.00 WLM WLU C7H15N1O3 L-peptide linking 0.65 0.91 WLU WM1 C6H6N2O1 non-polymer 0.00 0.00 WM1 WM2 C7H13N1O1 non-polymer 0.00 0.00 WM2 WM3 C6H8N2O2S1 non-polymer 0.00 0.00 WM3 WM4 C7H8N2O1 non-polymer 0.00 0.00 WM4 WM9 C17Cl1H17N2O1 non-polymer 0.00 0.00 WM9 WMJ C17H19N5O7 non-polymer 1.00 0.31 WMJ WMM C12H11N5S2 non-polymer 0.00 0.00 WMM WMP B1C24H24N5O9P1 non-polymer 1.00 0.25 WMP WMR C15H22N4S1 non-polymer 0.00 0.00 WMR WN6 C13H20N1O4P1 non-polymer 0.00 0.00 WN6 WNI Ni1O39P1W11 non-polymer 0.00 0.00 WNI WNN C20H18N6O3S1 non-polymer 0.00 0.00 WNN WO2 O62P2W18 non-polymer 0.00 0.00 WO2 WO3 O13W3 non-polymer 0.00 0.00 WO3 WO4 O4W1 non-polymer 0.00 0.00 WO4 WO5 H5O5W1 non-polymer 0.00 0.00 WO5 WO6 O4W1 non-polymer 0.00 0.00 WO6 WOC C6H10O4 non-polymer 0.93 1.00 WOC WOE C11Cl1H10N3O1 non-polymer 0.00 0.00 WOE WOO C6H12O6 L-saccharide 1.00 1.00 WOO WOP C26H25N3O6 non-polymer 0.00 0.00 WOP WOS C17H22N4O1 non-polymer 0.00 0.00 WOS WOT C6H8N1 non-polymer 0.00 0.00 WOT WOW C20Cl1H22N3O2S1 non-polymer 0.00 0.00 WOW WP1 C11H13N1O2 non-polymer 0.00 0.00 WP1 WP5 Br1C18H17N2O2 non-polymer 0.64 0.26 WP5 WP6 C22Cl1H19N2 non-polymer 0.00 0.00 WP6 WP7 C26Cl1H27N4O2 non-polymer 0.00 0.00 WP7 WPA C10H13N1O3 L-peptide linking 0.47 0.79 WPA WPC C32Fe1H16N8 non-polymer 0.00 0.00 WPC WPE C22Cl1H20N3O2 non-polymer 0.00 0.00 WPE WPF C21Cl1H26N3 non-polymer 0.20 0.12 WPF WPG C14H22N6O10P2 non-polymer 0.00 0.00 WPG WPH C31H32N6O3 non-polymer 0.50 0.12 WPH WPI C33H48N2O6 non-polymer 0.38 0.20 WPI WPL C8H14O5 non-polymer 1.00 1.00 WPL WPP C23H27N5O7S1 non-polymer 0.00 0.00 WPP WQP C11H22N1O12P1 non-polymer 0.98 0.84 WQP WQQ C26Cl1H24N3O5S1 non-polymer 0.00 0.00 WQQ WQS C10F1H8N1O3 non-polymer 0.00 0.00 WQS WR1 C22H26N2O5 non-polymer 0.59 0.28 WR1 WR2 C20H33N5O5S1 non-polymer 0.38 0.61 WR2 WR7 C13Cl3H14N7O4 non-polymer 0.00 0.00 WR7 WRA C14Cl3H18N5O2 non-polymer 0.83 0.21 WRA WRB Br1C14H20N5O2 non-polymer 0.83 0.23 WRB WRG C20H30N6O5 peptide-like 0.50 0.74 WRG WRO C14F3H11N2O4 non-polymer 1.00 0.57 WRO WRP C16H22N2O4 L-peptide linking 0.58 0.18 WRP WRR C19H18O4 non-polymer 0.00 0.00 WRR WRS C19H18O4 non-polymer 0.00 0.00 WRS WS1 C22H28N4O12 non-polymer 1.00 0.58 WS1 WS2 C22H28N4O12 non-polymer 1.00 0.58 WS2 WS3 C22H28N4O12 non-polymer 1.00 0.58 WS3 WS6 C11H13N5O2 non-polymer 0.00 0.00 WS6 WS7 C11H15N5O1 non-polymer 0.00 0.00 WS7 WSA C21H24N8O7S1 non-polymer 1.00 0.27 WSA WSD C10H13N5O2 non-polymer 0.62 0.18 WSD WSH C25H21N5O2 non-polymer 0.00 0.00 WSH WSK Br2C17H18N2O1 non-polymer 0.20 0.14 WSK WSQ H8O28 non-polymer 0.00 0.00 WSQ WST C18H18O3 non-polymer 0.00 0.00 WST WT2 C7H13N3O3 non-polymer 0.44 1.00 WT2 WT4 C14H25N3O6S2 non-polymer 0.00 0.00 WT4 WTC C17H18N4O1 non-polymer 0.00 0.00 WTC WTF C21F1H22N3O3S2 non-polymer 0.00 0.00 WTF WTI C18H15N3O3S1 non-polymer 0.00 0.00 WTI WTJ C16H20N4O3S1 non-polymer 0.45 0.29 WTJ WTZ C5H10O4 non-polymer 0.98 1.00 WTZ WUB C13H12N2O2 non-polymer 0.00 0.00 WUB WUL Br1C15H14N3O3 non-polymer 0.00 0.00 WUL WUN C13Cl1H18N1O5 non-polymer 1.00 0.60 WUN WUP C32Fe1H20N4 non-polymer 0.00 0.00 WUP WV7 C11F3H10N1O2 non-polymer 0.00 0.00 WV7 WVH C33F3H29N6O2 non-polymer 0.00 0.00 WVH WVI C8H9N3S1 non-polymer 0.00 0.00 WVI WVL C8H15N1O2 L-peptide linking 0.50 1.00 WVL WVP C36Fe1H20N4 non-polymer 0.00 0.00 WVP WVV C13F1H9O2 non-polymer 0.00 0.00 WVV WW2 C7F1H14O2P1 non-polymer 0.00 0.00 WW2 WW3 C12H18N4O2S1 non-polymer 0.00 0.00 WW3 WW7 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C19H34O15S1 non-polymer 1.00 0.94 WZ3 WZ4 C33H57N1O25S1 non-polymer 1.00 0.97 WZ4 WZ5 C33H57N1O26 non-polymer 1.00 0.98 WZ5 WZA C19H27N1O5S1 non-polymer 0.00 0.00 WZA WZB C20H30N2O6S2 non-polymer 0.00 0.00 WZB WZC C19H27N1O5S1 non-polymer 0.00 0.00 WZC WZO C12H21N5O13P3S1 non-polymer 1.00 0.29 WZO WZV C20F3H20N5O3 non-polymer 0.00 0.00 WZV X C27H27N5O14P1 DNA linking 1.00 0.43 X X00 C44H58N4O3S2Si2 non-polymer 0.25 0.05 X00 X01 C10H7N5O1 non-polymer 0.00 0.00 X01 X02 C13H13N3O1S1 non-polymer 1.00 0.72 X02 X03 C13H22N4O1 non-polymer 0.38 0.11 X03 X04 C8H11N2O6P1 non-polymer 1.00 0.76 X04 X05 C8H16N2O3 non-polymer 1.00 0.92 X05 X06 C9Cl1H8N5O1 non-polymer 0.00 0.00 X06 X07 C13H12N4O3 non-polymer 0.00 0.00 X07 X09 C8H16N2O3 non-polymer 1.00 0.92 X09 X0A C15Cl1H12N5O1 non-polymer 0.00 0.00 X0A X0B C31H29N5O3S2 non-polymer 0.00 0.00 X0B X0D C26F2H28N2O4S1 non-polymer 0.50 0.31 X0D X0J C42H46N6O5S2 non-polymer 0.20 0.05 X0J X0P C30H30N2O5 non-polymer 0.00 0.00 X0P X0Q C13H9N5O2S2 non-polymer 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X95 X96 C15H16N4O3 non-polymer 0.00 0.00 X96 X97 C28H32N4O4 non-polymer 0.00 0.00 X97 X98 C26H28N4O3 non-polymer 0.00 0.00 X98 X99 C20F2H21N3O4 non-polymer 0.00 0.00 X99 X9F C18H16N6O2S1 non-polymer 0.00 0.00 X9F X9G C22Cl1H24N7O1 non-polymer 0.00 0.00 X9G X9I C15H13N3O5 non-polymer 0.00 0.00 X9I X9Q C14H17N3O3 L-peptide linking 0.00 0.00 X9Q X9X C6H14O6 non-polymer 0.98 1.00 X9X XA0 C14Cl1F3H9N3O3 non-polymer 0.00 0.00 XA0 XA1 B1C18Cl1H29N2O5 non-polymer 0.93 0.15 XA1 XA2 B1C18Cl2H28N2O5 non-polymer 0.93 0.14 XA2 XA7 C24H52N1 non-polymer 0.00 0.00 XA7 XAA C6H10N2O1S1 non-polymer 0.00 0.00 XAA XAC C21H28N6O4 non-polymer 0.00 0.00 XAC XAD C11H16N5O6P1 DNA linking 1.00 0.43 XAD XAE C14H16N5O6P1 DNA linking 1.00 0.35 XAE XAF C23F1H20N3O3S1 non-polymer 0.00 0.00 XAF XAH C16H27N8O8P1 non-polymer 1.00 0.55 XAH XAL C12H16N5O5P1 DNA linking 0.00 0.00 XAL XAM C44Cl2H60N4O14 non-polymer 1.00 0.59 XAM XAN C5H4N4O2 non-polymer 0.00 0.00 XAN XAO C14H29N1O2 non-polymer 0.54 0.53 XAO XAP C3H10N2O1 non-polymer 0.00 0.00 XAP XAR C12H16N5O5P1 DNA linking 0.00 0.00 XAR XAT C40H56O4 non-polymer 1.00 0.82 XAT XAV C14F3H11N2O1S1 non-polymer 0.00 0.00 XAV XAX C10H14N5O8P1S3 non-polymer 1.00 0.37 XAX XAZ C8H10N4 non-polymer 0.00 0.00 XAZ XBB C5H10N2 non-polymer 0.00 0.00 XBB XBG C8H13N1O2 non-polymer 0.00 0.00 XBG XBJ C23F1H27N4O4 non-polymer 0.54 0.22 XBJ XBK C33H47N1O12 non-polymer 1.00 0.57 XBK XBL C19H17N5 non-polymer 0.00 0.00 XBL XBO H7O24 non-polymer 0.00 0.00 XBO XBP C5H12O11P2 saccharide 1.00 0.56 XBP XBR C20Cl1H19N2O2 non-polymer 0.00 0.00 XBR XBS B1C15H13O4 non-polymer 0.20 0.25 XBS XBT C7H13N1S1 non-polymer 0.00 0.00 XBT XBU C19H16O7 non-polymer 1.00 0.58 XBU XBV C24Cl1F3H21N5O3 non-polymer 0.00 0.00 XBV XBZ C9H12 non-polymer 0.00 0.00 XBZ XC2 C27H28N2O4S1 non-polymer 0.00 0.00 XC2 XC5 C10H18N3O12P3 non-polymer 1.00 0.32 XC5 XCA C27H42O3 non-polymer 0.65 0.23 XCA XCC FE4NI1S4 non-polymer 0.00 0.00 XCC XCF C19H22N4O3 non-polymer 0.00 0.00 XCF XCG C11H8N2O1 non-polymer 0.00 0.00 XCG XCH C11Cl1H14N1O3 non-polymer 0.56 0.44 XCH XCL C11H16N3O6P1 DNA linking 0.00 0.00 XCL XCN C4H6N2O2S1 L-peptide linking 0.44 0.89 XCN XCO Co1O39Si1W11 non-polymer 0.00 0.00 XCO XCP C6H11N1O2 peptide-like 0.00 0.00 XCP XCR C11H16N3O6P1 DNA linking 0.00 0.00 XCR XCS C14H18N3O7P1 DNA linking 0.00 0.00 XCS XCT C10H16N3O7P1 DNA linking 1.00 0.48 XCT XCU Cu1O39P1W11 non-polymer 0.00 0.00 XCU XCX C26H34N2O4 non-polymer 0.81 0.22 XCX XCY C17H23N4O7P1 DNA linking 1.00 0.31 XCY XCZ C5H7N3O2S1 non-polymer 0.00 0.00 XCZ XD1 C8H14N2O3S1 non-polymer 0.00 0.00 XD1 XD2 C18H20N6O5S2 non-polymer 0.35 0.26 XD2 XD3 C12H20O8 non-polymer 1.00 1.00 XD3 XD4 C18H25N1O2 non-polymer 0.00 0.00 XD4 XD5 C14H17N1O2 non-polymer 0.00 0.00 XD5 XD6 C18Cl1H19O6 non-polymer 0.00 0.00 XD6 XD9 C12H14O5S1 non-polymer 0.50 0.11 XD9 XDA C20H28N3O8P1 non-polymer 0.57 0.19 XDA XDE C9H13N1O3 non-polymer 0.00 0.00 XDE XDH C15Cl4H12O2 non-polymer 0.38 0.10 XDH XDI Br4C15H12O2 non-polymer 0.38 0.10 XDI XDK C9H8N4 non-polymer 0.00 0.00 XDK XDL C5H9N1O2 non-polymer 0.00 0.00 XDL XDM C17Cl1H19N2O2 non-polymer 0.62 0.14 XDM XDN C5H11N1O3 non-polymer 1.00 1.00 XDN XDP C5H14O12P2 D-saccharide 1.00 0.58 XDP XDR C32H29N3O5 non-polymer 0.54 0.25 XDR XDS C6H6N4O5 non-polymer 1.00 0.73 XDS XDT C5H11N1O3 D-peptide linking 0.68 1.00 XDT XDX C9H17O12P1 non-polymer 1.00 0.82 XDX XE XE1 non-polymer 0.00 0.00 XE XE4 C26H34O3 non-polymer 0.56 0.17 XE4 XEB C18Cl1H18N3O1 non-polymer 0.00 0.00 XEB XED C18F1H20N3O4 non-polymer 0.00 0.00 XED XEG C22H18O10 non-polymer 0.00 0.00 XEG XEN C10H18N2O1 non-polymer 0.00 0.00 XEN XEV C14H12O3 non-polymer 0.00 0.00 XEV XEZ C12H9N7 non-polymer 0.00 0.00 XEZ XF5 C12H15N3 non-polymer 0.00 0.00 XF5 XFA C28Cl2H31N5O3 non-polymer 0.45 0.37 XFA XFC C10F1H13N3O8P1 DNA linking 1.00 0.78 XFC XFE C11H15N5 non-polymer 0.00 0.00 XFE XFH C22H26N4 non-polymer 0.00 0.00 XFH XFI C33H42N4O5S1 non-polymer 0.40 0.35 XFI XFJ C21H25N5 non-polymer 0.00 0.00 XFJ XFK C21H25N5 non-polymer 0.00 0.00 XFK XFL C21H25N5 non-polymer 0.00 0.00 XFL XFM C21H25N5 non-polymer 0.00 0.00 XFM XFN C22H27N5 non-polymer 0.00 0.00 XFN XFW C5H13N3O2 peptide-like 0.00 0.00 XFW XG1 C14H16N4 non-polymer 0.00 0.00 XG1 XG4 C10H17N6O12P3 non-polymer 1.00 0.29 XG4 XGA C14H16N5O7P1 DNA linking 1.00 0.33 XGA XGH C23F7H23N2O5S2 non-polymer 0.50 0.15 XGH XGL C12H16N5O6P1 DNA linking 0.00 0.00 XGL XGP C6H13O9P1 non-polymer 1.00 0.75 XGP XGR C12H16N5O6P1 DNA linking 0.00 0.00 XGR XGU C11H16N5O7P1 DNA linking 1.00 0.42 XGU XH2 C9H14O6 non-polymer 0.00 0.00 XH2 XH8 C18H20N4 non-polymer 0.00 0.00 XH8 XHA C18F3H25N2O4 non-polymer 1.00 0.41 XHA XHP C7H7N5O1 non-polymer 0.00 0.00 XHP XI1 C14Cl1F3H14N2O3S1 non-polymer 0.00 0.00 XI1 XI2 C15F2H15N5O3S1 non-polymer 0.00 0.00 XI2 XI7 C10H8O4 non-polymer 0.94 0.57 XI7 XIF C5H11N1O2 non-polymer 0.00 0.00 XIF XIG C34H29N1O8 non-polymer 0.00 0.00 XIG XIH C20H23N7O2 non-polymer 0.00 0.00 XIH XIL C10H17N1O7 non-polymer 1.00 1.00 XIL XIM C7H10N2O3 non-polymer 1.00 0.83 XIM XIN C31H33N5O4 non-polymer 0.97 0.10 XIN XIX C2H5N5 non-polymer 0.00 0.00 XIX XIY C8H8N2O1 non-polymer 0.00 0.00 XIY XIZ C8H7N1O2 non-polymer 0.44 0.55 XIZ XJ0 C7H7N3O2 non-polymer 0.44 0.50 XJ0 XJ1 C19H22N4O2 non-polymer 0.58 0.20 XJ1 XJ8 C29H25N5O4 non-polymer 0.00 0.00 XJ8 XJE C12H13O6P1 non-polymer 0.00 0.00 XJE XJG C19H21N1O3 non-polymer 0.00 0.00 XJG XJH C22H23N3O2 non-polymer 0.00 0.00 XJH XJO C27H39N1O5 non-polymer 0.20 0.09 XJO XJS C38H63N8O20P3 non-polymer 1.00 0.13 XJS XJX C24H31N3O3 non-polymer 0.00 0.00 XJX XK0 C12H16N2O1S1 non-polymer 0.00 0.00 XK0 XK2 C41H38N2O3 non-polymer 0.00 0.00 XK2 XK3 C17H21N3O2S1 non-polymer 0.00 0.00 XK3 XK9 C18H17N7O4 non-polymer 0.38 0.07 XK9 XKA C18H19N5O6S2 non-polymer 1.00 0.39 XKA XKL C18H15N3O7 non-polymer 0.50 0.18 XKL XL1 C2H6S1 non-polymer 0.00 0.00 XL1 XL2 C18F1H19N4O1S1 non-polymer 0.35 0.28 XL2 XL3 C3H8S1 non-polymer 0.00 0.00 XL3 XL5 C22Cl2F1H21N4O4 non-polymer 0.00 0.00 XL5 XL6 C23Cl2H24N4O4 non-polymer 0.00 0.00 XL6 XL7 C22Cl3F1H20N4O4 non-polymer 0.00 0.00 XL7 XL8 C22Cl4H20N4O4 non-polymer 0.00 0.00 XL8 XL9 C24Cl2H26N4O4 non-polymer 0.00 0.00 XL9 XLB B1C15Cl1H12O4 non-polymer 0.25 0.10 XLB XLC C24Cl3H23N4O2S1 non-polymer 0.00 0.00 XLC XLD C23Cl3H20N5O4S1 non-polymer 0.00 0.00 XLD XLF C5H10O5 D-saccharide 1.00 1.00 XLF XLI C27H52N4O5S1 peptide-like 0.00 0.00 XLI XLM C12H22O10 non-polymer 1.00 0.95 XLM XLN C17H33N2O8P1S1 non-polymer 0.62 0.48 XLN XLO C15Cl1H11O3 non-polymer 0.25 0.11 XLO XLS C5H10O5 D-saccharide 1.00 1.00 XLS XLX C11H18N2O6 non-polymer 0.00 0.00 XLX XM0 C9H11N1 non-polymer 0.00 0.00 XM0 XM1 C20Cl1H23N6O1 non-polymer 0.00 0.00 XM1 XM5 C12H11N1O4 non-polymer 0.00 0.00 XM5 XMA C27Cl1H29N4O5S1 non-polymer 0.61 0.18 XMA XMB C28Cl1H34N5O5S2 non-polymer 0.00 0.00 XMB XMC C30Cl1H34N5O5S1 non-polymer 0.00 0.00 XMC XMD C28Cl1H31N4O5S1 non-polymer 0.55 0.21 XMD XME C26Cl1H28N5O4S1 non-polymer 0.00 0.00 XME XMF C26Cl1H29N4O4S1 non-polymer 0.00 0.00 XMF XMG C26Cl1H29N4O4S1 non-polymer 0.00 0.00 XMG XMH C28Cl1H33N4O4S1 non-polymer 0.55 0.21 XMH XMI C25Cl1H27N4O3S1 non-polymer 0.00 0.00 XMI XMJ C23Cl1H27N4O3S1 non-polymer 0.25 0.06 XMJ XMK C23Cl1H29N4O2S1 non-polymer 0.25 0.06 XMK XMM Br1C14Cl1H15N1O6 D-saccharide 1.00 0.52 XMM XMP C10H14N4O9P1 non-polymer 1.00 0.42 XMP XMQ C20Cl2H29N5O2S1 non-polymer 0.00 0.00 XMQ XMS C16Cl1H14N3O2 non-polymer 0.00 0.00 XMS XN1 C37H49N5O4 non-polymer 0.39 0.11 XN1 XN2 C39H50N4O6 non-polymer 0.39 0.10 XN2 XN3 C38H48N4O6 non-polymer 0.39 0.10 XN3 XNA C21H26N8 non-polymer 0.00 0.00 XNA XNB C21H26N8S1 non-polymer 0.00 0.00 XNB XNC C34F1H32N3O5S1 non-polymer 0.00 0.00 XNC XND C23Cl2H22N2O3 non-polymer 0.00 0.00 XND XNH C25H33N7O3 non-polymer 0.00 0.00 XNH XNI C30Cl1H29N2O3 non-polymer 0.00 0.00 XNI XNL C19H22N2O1 non-polymer 0.00 0.00 XNL XNM C23Cl1H24N5O2 non-polymer 0.00 0.00 XNM XNN C22H26N8S1 non-polymer 0.00 0.00 XNN XNP C21H30N7O17P3 non-polymer 1.00 0.48 XNP XNS C16H30O8 non-polymer 1.00 0.75 XNS XNV C26H31N5O7 non-polymer 0.65 0.18 XNV XNW C15H18O7 non-polymer 0.00 0.00 XNW XNZ C30Cl1H29N2O4 non-polymer 0.00 0.00 XNZ XO3 C15H18N2O2 non-polymer 0.00 0.00 XO3 XOC C19H21N3O1S1 non-polymer 0.00 0.00 XOC XOJ C27H39N7O3 non-polymer 0.39 0.14 XOJ XOK C14H28N2O3S1 L-peptide linking 0.00 0.00 XOK XOP C14H20N1O3P1 non-polymer 0.00 0.00 XOP XOS C15H12O3 non-polymer 0.25 0.11 XOS XP0 C18H17N5 non-polymer 0.00 0.09 XP0 XP1 C9H11N1O2 non-polymer 0.20 0.25 XP1 XP4 C31H60O8P1 non-polymer 0.98 0.35 XP4 XP5 C22H45N1O8P1 non-polymer 0.98 0.69 XP5 XP8 C12H24N1O7P1S1 non-polymer 0.67 0.36 XP8 XP9 C13H26N1O7P1S1 non-polymer 0.67 0.35 XP9 XPA C23H44O8P1 non-polymer 0.98 0.44 XPA XPB C19H23N6O8P1 DNA linking 1.00 0.44 XPB XPC C5H10N2O2 peptide-like 0.00 0.00 XPC XPE C20H42O11 non-polymer 0.88 1.00 XPE XPF C18H20N2O4S2 non-polymer 0.00 0.00 XPF XPG C20H34O5 non-polymer 0.46 0.28 XPG XPH C8H12N1O3P1 peptide-like 0.00 0.00 XPH XPL C12H24N4O3 L-peptide linking 0.00 0.00 XPL XPM C17H32O4 non-polymer 0.75 0.43 XPM XPO C1H3O5P1 non-polymer 0.00 0.00 XPO XPR C9H15N1O6S1 L-peptide linking 0.00 0.00 XPR XPT C9Cl1H21S1 non-polymer 0.00 0.00 XPT XPX C53H99O23P1 non-polymer 1.00 0.62 XPX XPY C18F3H21N8O1 non-polymer 0.00 0.00 XPY XQ0 C8H8N2O1 non-polymer 0.00 0.00 XQ0 XQ9 C17H29N3O3S1 non-polymer 0.00 0.00 XQ9 XQB C7H9N1O6 non-polymer 0.93 1.00 XQB XQC C18H23N1O4 non-polymer 0.38 0.26 XQC XQG C6H6N4S1 non-polymer 0.00 0.00 XQG XQI C9H10O4 non-polymer 0.56 0.46 XQI XQK C9H9N3O3 non-polymer 0.97 0.27 XQK XQO C13H26N2O4 non-polymer 1.00 0.58 XQO XR1 C29Cl1H28N7O1S1 non-polymer 0.00 0.00 XR1 XR2 C34H38N8O2 non-polymer 0.40 0.32 XR2 XRA C19H21N5O4 non-polymer 0.00 0.00 XRA XRG C4H10N4O1 non-polymer 0.33 1.00 XRG XRJ C13H26N2O4 non-polymer 1.00 0.58 XRJ XRO C15H13N3O4 non-polymer 1.00 0.59 XRO XRS C10H19N3O1 non-polymer 0.56 0.43 XRS XRX C9H20N2O2 non-polymer 0.56 0.85 XRX XS2 C26H44O17S4 non-polymer 1.00 0.89 XS2 XS4 C35H42N10O3 non-polymer 0.39 0.10 XS4 XS6 C9H21N3O2 non-polymer 0.00 0.00 XS6 XSN C4H8N2O3 L-peptide linking 0.00 0.00 XSN XSP C3H5O7P1 non-polymer 0.80 0.64 XSP XT0 C21H20N4O2 non-polymer 0.00 0.00 XT0 XT1 C45H70O13 non-polymer 1.00 0.55 XT1 XT2 C44H68O13 non-polymer 1.00 0.56 XT2 XT3 C22H22N4O2 non-polymer 0.00 0.00 XT3 XT5 C19H19N3O2 non-polymer 0.00 0.00 XT5 XTC C21H21N3O9 non-polymer 0.20 0.09 XTC XTF C12F1H16N2O7P1 DNA linking 1.00 0.39 XTF XTG C17H23N1O11S1 non-polymer 1.00 0.67 XTG XTH C11H17N2O8P1 DNA linking 1.00 0.82 XTH XTK C17H23N3O2 non-polymer 0.57 0.45 XTK XTL C12H17N2O7P1 DNA linking 1.00 0.41 XTL XTN C6H5N5O2 non-polymer 0.00 0.00 XTN XTR C12H17N2O7P1 DNA linking 1.00 0.41 XTR XTS C10H12N4O6 RNA linking 1.00 0.50 XTS XTV C19H16N4O2 non-polymer 0.00 0.00 XTV XTW C18Cl1H16N3O2 non-polymer 0.00 0.00 XTW XTY C14H17N2O8P1 DNA linking 0.00 0.00 XTY XTZ C16H16N8O3S2 non-polymer 0.00 0.00 XTZ XU1 C12H8N2O1 non-polymer 0.00 0.00 XU1 XU2 C25H18N4O2 non-polymer 0.00 0.00 XU2 XU3 C23Cl2H23N3O4S2 non-polymer 0.00 0.00 XU3 XU5 C26Cl1H28N3O4S1 non-polymer 0.00 0.00 XU5 XUA C11H16N5O6P1Se1 DNA linking 1.00 0.38 XUA XUG C11H16N5O7P1Se1 DNA linking 1.00 0.36 XUG XUL C5H10O5 D-saccharide 1.00 1.00 XUL XV1 C16F1H12N1O1 non-polymer 0.00 0.00 XV1 XV6 C41H38N6O5S2 non-polymer 0.00 0.00 XV6 XVE C18Cl1H18N1O3 non-polymer 0.00 0.00 XVE XW1 C9H17N1O4 L-peptide linking 0.65 0.50 XW1 XWG C25Cl1H32N4O4S1 non-polymer 0.00 0.00 XWG XWW C17F1H21N10O1 non-polymer 1.00 0.31 XWW XX0 C12Cl2H14N2O4S1 non-polymer 0.00 0.00 XX0 XX1 C11H16N6O2 L-peptide linking 0.00 0.00 XX1 XX2 C6H4N1O4 non-polymer 0.00 0.00 XX2 XX3 C6H5N1O6 non-polymer 0.00 0.00 XX3 XX4 C25H30N4O2 non-polymer 0.00 0.00 XX4 XX5 C19Cl2H23N3O4 non-polymer 0.50 0.46 XX5 XX6 C20H23N1O4 non-polymer 0.73 0.44 XX6 XX7 C20H23N1O4 non-polymer 0.73 0.44 XX7 XX8 C13H15N3O1 non-polymer 0.00 0.00 XX8 XX9 C26Cl2H28N2O2 non-polymer 0.38 0.06 XX9 XXA C11H19N1O3 L-peptide linking 0.64 1.00 XXA XXB C8H12N2O2 non-polymer 0.00 0.00 XXB XXC C13H18O2 non-polymer 0.00 0.00 XXC XXD C5H12O3 non-polymer 0.70 1.00 XXD XXE C10H8N2O2 non-polymer 0.00 0.00 XXE XXG C6H6O6S1 non-polymer 0.00 0.00 XXG XXH C7H5N1O3 non-polymer 0.00 0.00 XXH XXJ C24F2H20N4O5S1 non-polymer 1.00 0.39 XXJ XXK C19H17N5O3 non-polymer 0.00 0.00 XXK XXL C12H13N1O4 non-polymer 0.61 0.41 XXL XXM C5H10O5 saccharide 1.00 1.00 XXM XXO C10H7N1O3 non-polymer 0.00 0.00 XXO XXP C6H5N1O6 non-polymer 0.56 0.85 XXP XXR C6H12O5 D-saccharide 1.00 1.00 XXR XXT C19H26O7 non-polymer 1.00 0.54 XXT XXX C12H26N4O6 non-polymer 1.00 1.00 XXX XXY C12H16N5O4 L-peptide linking 0.00 0.00 XXY XXZ C20F1H22N5O1 non-polymer 0.00 0.00 XXZ XY1 C15H15N3O3 non-polymer 0.00 0.00 XY1 XY2 C12H15N5O4 non-polymer 0.57 0.43 XY2 XY3 C29F3H31N6O3 non-polymer 0.00 0.05 XY3 XY5 C16H16N4O1 non-polymer 0.00 0.00 XY5 XYA C10H13N5O4 non-polymer 1.00 0.53 XYA XYB C10H18O9 saccharide 1.00 1.00 XYB XYC C8H15N1O2 L-peptide linking 0.00 0.00 XYC XYD C8H11N1 non-polymer 0.00 0.00 XYD XYF C5F1H8O5 non-polymer 1.00 0.91 XYF XYG C14H13N3O4 L-peptide linking 0.38 0.10 XYG XYH C5H8N1O7 non-polymer 0.96 0.92 XYH XYL C5H12O5 non-polymer 0.98 1.00 XYL XYM C5H6O5S1 non-polymer 0.95 0.55 XYM XYN C5H6O5S1 non-polymer 0.95 0.55 XYN XYP C5H10O5 D-saccharide 1.00 1.00 XYP XYQ C17H25N5O15P2 non-polymer 1.00 0.59 XYQ XYS C5H10O5 D-saccharide 1.00 1.00 XYS XYT C12H23O14P1 non-polymer 1.00 0.85 XYT XYW C30F2H26N6O5S3 non-polymer 0.00 0.00 XYW XYY C19Cl1H21N4O4S1 non-polymer 0.20 0.14 XYY XYZ C5H10O5 D-saccharide 1.00 1.00 XYZ XZ2 C17Cl1F1H16N2O5S1 non-polymer 0.00 0.00 XZ2 XZ4 C20F2H18N4O6 non-polymer 1.00 0.59 XZ4 XZ8 C14H13N3O2 non-polymer 0.00 0.00 XZ8 XZA C1H4N2O2 peptide-like 0.00 0.00 XZA XZB C21F3H20N3O3S2 non-polymer 0.00 0.00 XZB XZN C26Cl2H29N5O3 non-polymer 0.00 0.00 XZN XZP C6H11N1O2 non-polymer 0.00 0.00 XZP XZZ C10Cl1H7O3 non-polymer 0.00 0.00 XZZ Y C18H22N5O7P1 DNA linking 1.00 0.29 Y Y00 C18H23N1O3 non-polymer 0.00 0.00 Y00 Y01 C31H50O4 non-polymer 0.96 0.23 Y01 Y02 C23H37N1O6 non-polymer 0.81 0.70 Y02 Y03 C14Cl2H12N1O5P1 non-polymer 0.00 0.00 Y03 Y04 C14Cl1H13N1O5P1 non-polymer 0.00 0.00 Y04 Y06 C14Cl1H13N1O5P1 non-polymer 0.00 0.00 Y06 Y07 C15Cl1F3H12N1O5P1 non-polymer 0.00 0.00 Y07 Y08 C22H38N2O6 non-polymer 0.81 0.60 Y08 Y09 C15H16N1O6P1 non-polymer 0.00 0.00 Y09 Y0R C13H12N4O2S2 non-polymer 0.00 0.00 Y0R Y0V C11H7I2N1O3 non-polymer 0.00 0.00 Y0V Y0X C34H28N6O16S4 non-polymer 0.00 0.00 Y0X Y1 Y1 non-polymer 0.00 0.00 Y1 Y10 C21H31N1O5 non-polymer 0.81 0.67 Y10 Y11 C21H35N5O3 non-polymer 0.00 0.00 Y11 Y12 C21H21N1O5 non-polymer 0.23 0.30 Y12 Y13 C17H17N1O4 non-polymer 0.23 0.36 Y13 Y14 C26H37N5O3 non-polymer 0.00 0.00 Y14 Y15 C25H36N4O4 non-polymer 0.50 0.09 Y15 Y16 C14H26N2O6 non-polymer 0.81 0.82 Y16 Y19 C12H20N4O7 non-polymer 1.00 0.83 Y19 Y1N C24H24N2O4 non-polymer 0.81 0.23 Y1N Y1Z C26Cl1H23N6O3S1 non-polymer 0.00 0.00 Y1Z Y22 C18F6H11N3O2 non-polymer 0.00 0.00 Y22 Y27 C14H21N3O1 non-polymer 0.00 0.00 Y27 Y28 C18H17N1O6 D-peptide linking 0.58 0.48 Y28 Y2B C22F1H29N4O1 non-polymer 0.00 0.00 Y2B Y2F C22F1H31N4O1 non-polymer 0.46 0.29 Y2F Y3 C12H11N1O8S2 non-polymer 0.00 0.00 Y3 Y30 C30Cl2H29N3O5 non-polymer 0.39 0.12 Y30 Y38 C26H28N2O5S1 non-polymer 0.59 0.38 Y38 Y39 C13H24O2 non-polymer 0.00 0.00 Y39 Y3A C22Cl1H26N3O5 non-polymer 0.00 0.00 Y3A Y3J C10F2H11N5O3 non-polymer 1.00 0.45 Y3J Y3L C9Cl1H7N2O1S1 non-polymer 0.00 0.00 Y3L Y3M C25H22N4O4S1 non-polymer 0.75 0.15 Y3M Y3U C19H24N4O10S1 non-polymer 1.00 0.29 Y3U Y46 C17H16N4O4S1 non-polymer 1.00 0.38 Y46 Y4L C8Cl1H11N2O2S1 non-polymer 0.00 0.00 Y4L Y50 C22H23N1O4 non-polymer 0.20 0.19 Y50 Y52 C20H19N1O4S2 non-polymer 0.97 0.30 Y52 Y55 C13H9N1O4 non-polymer 0.00 0.00 Y55 Y5H C22Cl1H28N4O3S1 non-polymer 0.20 0.10 Y5H Y5P C9H15N2O7P1 RNA linking 1.00 0.53 Y5P Y69 C17H34O4 non-polymer 0.88 0.57 Y69 Y6M C9H11N1O2 non-polymer 0.00 0.00 Y6M Y6W C18H29N2O13P1 non-polymer 1.00 0.68 Y6W Y70 C13H11N3O4 non-polymer 1.00 0.45 Y70 Y7N C24H26N2O5 non-polymer 0.00 0.00 Y7N Y7Y C13H20N2O5S1 non-polymer 0.69 0.29 Y7Y Y80 C24H20N2O3 non-polymer 0.20 0.14 Y80 Y81 C20H15N3O2 non-polymer 0.00 0.00 Y81 Y83 C31H37N5O3S1 non-polymer 0.56 0.12 Y83 Y8I Br2C6H4O1 non-polymer 0.00 0.00 Y8I Y8L C19H22N6O1S1 non-polymer 0.00 0.00 Y8L Y9B C15F4H7N3O2S1 non-polymer 0.00 0.00 Y9B Y9Z C14H22N6O12P2 non-polymer 1.00 0.59 Y9Z YA1 C31H52O3 non-polymer 0.55 0.18 YA1 YA2 C32H54O3 non-polymer 0.25 0.06 YA2 YAC C12H12O3 non-polymer 0.40 0.40 YAC YAK C23F1H23N4O6S2 non-polymer 0.00 0.00 YAK YAM C21F3H20N7O3S1 non-polymer 0.20 0.11 YAM YAN C6Cl2H4 non-polymer 0.00 0.00 YAN YAP C19H23N6O9P1 non-polymer 1.00 0.49 YAP YAU C29Cl2F1H29N2O4 non-polymer 0.00 0.00 YAU YAZ C9Cl1H7O3 non-polymer 0.58 0.38 YAZ YB Yb1 non-polymer 0.00 0.00 YB YB2 Yb1 non-polymer 0.00 0.00 YB2 YBH C29H28N4O6S1 non-polymer 0.61 0.20 YBH YBN C22H23N1O4S1 non-polymer 0.40 0.25 YBN YBT C8H19N1O5Y1 non-polymer 0.00 0.00 YBT YBY C15H17I1N2O8 non-polymer 0.68 0.73 YBY YC2 C19H24I1N3O8 non-polymer 0.68 0.61 YC2 YC8 C16H16N2O3 non-polymer 0.00 0.00 YC8 YCF C19H24N10O3 non-polymer 0.38 0.12 YCF YCL C15Cl1H19N4O4 non-polymer 0.00 0.00 YCL YCM C5H10N2O3S1 L-peptide linking 0.00 0.00 YCM YCN C8H20N4 non-polymer 0.00 0.00 YCN YCO C15H16N3O8P1 DNA linking 1.00 0.33 YCO YCP C6H11N1O2 L-peptide linking 0.00 0.00 YCP YCU C17H23N5O6S2 non-polymer 1.00 0.47 YCU YD3 C27H34N4O4S1 non-polymer 0.00 0.00 YD3 YDI C16H20N4O3S1 non-polymer 0.50 0.21 YDI YDJ C17F1H19N4O2S1 non-polymer 0.00 0.00 YDJ YDK C17H20N4O2S1 non-polymer 0.00 0.00 YDK YDP C28H37N5O6S2 non-polymer 0.38 0.12 YDP YDR C12H22O10S1 non-polymer 1.00 0.96 YDR YDZ C22H32N10O16P3S1 non-polymer 1.00 0.38 YDZ YE1 C29H43N8O19P3 non-polymer 1.00 0.39 YE1 YE2 C29H42N7O19P3S1 non-polymer 1.00 0.39 YE2 YE5 C17H16N4O2 non-polymer 0.62 0.13 YE5 YE6 C11Cl1H9N2O2 non-polymer 0.00 0.00 YE6 YE7 C12H10N4O1 non-polymer 0.00 0.00 YE7 YEG C5H10O1 non-polymer 0.00 0.00 YEG YEJ C20H28N4O4S1 non-polymer 0.00 0.00 YEJ YEN C21H30N5O11P1 peptide-like 0.00 0.00 YEN YES C9H20O5 non-polymer 0.71 0.71 YES YET C23H28N6O3 non-polymer 0.00 0.00 YET YEX C15H12N4O1 non-polymer 0.00 0.00 YEX YF1 C6H9N3 non-polymer 0.00 0.00 YF1 YF3 C9H16N4S1 non-polymer 0.00 0.00 YF3 YF4 C9H16N4 non-polymer 0.29 0.31 YF4 YFB C26H32O4 non-polymer 0.38 0.27 YFB YFD C18H26O4 non-polymer 0.38 0.09 YFD YFE C21H24O4 non-polymer 0.38 0.08 YFE YFF C15F1H19N4O4 non-polymer 0.00 0.00 YFF YG C21H29N6O12P1 RNA linking 1.00 0.55 YG YGL C18H14N4O1 non-polymer 0.00 0.00 YGL YGP C17H21N6O9P1 non-polymer 1.00 0.30 YGP YH1 C13H11N5O2S1 non-polymer 0.00 0.00 YH1 YH2 C13H10N6O1S1 non-polymer 0.00 0.00 YH2 YH3 C14H13N5O2S1 non-polymer 0.00 0.00 YH3 YH4 C14H13N5O2S1 non-polymer 0.00 0.00 YH4 YH5 C14H13N5O3S1 non-polymer 0.00 0.00 YH5 YH6 C14H13N5O2S1 non-polymer 0.00 0.00 YH6 YH7 C5H5N5S1 non-polymer 0.00 0.00 YH7 YHO C5H11N1O3 non-polymer 1.00 1.00 YHO YHX C9H6N2O3 non-polymer 0.00 0.00 YHX YI0 C15Cl1H11N2O3S1 non-polymer 0.00 0.00 YI0 YI1 C14F2H15N1O4P1 non-polymer 0.00 0.00 YI1 YI2 C28H44O4S1 non-polymer 0.75 0.09 YI2 YI3 C30H52O3 non-polymer 0.55 0.18 YI3 YI4 C31H50O4 non-polymer 0.75 0.37 YI4 YI5 C16Cl1H13N2O4S1 non-polymer 0.00 0.00 YI5 YI6 C10H12O3 non-polymer 0.00 0.00 YI6 YIE C8Cl1H6N4 non-polymer 0.00 0.00 YIE YIH C8Cl2H5N4O1 non-polymer 0.00 0.00 YIH YIN Br2C24H16N4O1 non-polymer 0.00 0.00 YIN YIO C6H12O5S1 non-polymer 1.00 0.92 YIO YIP C8Cl1H6N4O1 non-polymer 0.00 0.00 YIP YIQ C20H19N7O1 non-polymer 0.38 0.07 YIQ YIR C20H19N7O3 non-polymer 0.00 0.00 YIR YIS C35Cl1H34N7O3S2 non-polymer 0.38 0.04 YIS YIT C21H24N6O2 non-polymer 0.25 0.34 YIT YIV C5H11N1O1 non-polymer 0.00 0.00 YIV YIW C30H33N7O1S1 non-polymer 0.38 0.05 YIW YIX C19H23N5O1S1 non-polymer 0.00 0.00 YIX YIY C25F1H24N5O2 non-polymer 0.38 0.06 YIY YJ2 Br1C25Cl1H25N3O4S1 non-polymer 0.00 0.00 YJ2 YJ8 C25Cl1H25I1N3O4S1 non-polymer 0.00 0.00 YJ8 YJ9 C26Cl1F3H25N3O4S1 non-polymer 0.00 0.00 YJ9 YJA C26F1H30N7O3 non-polymer 0.59 0.27 YJA YJC C25Cl2H25N3O4S1 non-polymer 0.00 0.00 YJC YJD C16H16N2O2 non-polymer 0.58 0.20 YJD YJM C6H13N1O11S2 non-polymer 1.00 0.60 YJM YJW C16H13N1O3 non-polymer 0.00 0.00 YJW YJX C18H14N4O1 non-polymer 0.00 0.00 YJX YK9 C19H11N3O1 non-polymer 0.00 0.00 YK9 YKB C23H19N5O2 non-polymer 0.00 0.00 YKB YKC C25H17N5O1 non-polymer 0.00 0.00 YKC YKE C29H19N5O1 non-polymer 0.00 0.00 YKE YKG Br1C11H10O5P1 non-polymer 0.00 0.00 YKG YKI C27H18N6O1 non-polymer 0.00 0.00 YKI YKJ C25H18N6O1 non-polymer 0.00 0.00 YKJ YKN C13F2H9N3O1S1 non-polymer 0.00 0.00 YKN YKR C13H19N1O5 non-polymer 1.00 0.63 YKR YL2 C16H17N3O6P2S1 non-polymer 0.00 0.00 YL2 YL3 C14H14N3O3P1S1 non-polymer 0.00 0.00 YL3 YL4 C22H20N3O4P1S1 non-polymer 0.00 0.00 YL4 YL5 C21F1H19N3O3P1S1 non-polymer 0.00 0.00 YL5 YL6 C21Cl1F1H18N3O3P1S1 non-polymer 0.00 0.00 YL6 YLA C20H28N7O10P1 non-polymer 1.00 0.53 YLA YLB C20H32N7O9P1 non-polymer 1.00 0.46 YLB YLC C20H30N7O9P1 non-polymer 1.00 0.62 YLC YLG C10H13N1 non-polymer 0.00 0.00 YLG YLL C7H14O6 non-polymer 1.00 1.00 YLL YLO C24H24N2O2S1 non-polymer 0.00 0.00 YLO YLP C19H30N7O9P1 non-polymer 1.00 0.47 YLP YLQ C19H20N2O3S1 non-polymer 0.00 0.00 YLQ YLY C22H35N8O9P1 non-polymer 1.00 0.43 YLY YM2 C23H30N4O3 non-polymer 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C10H13N5O1 non-polymer 0.62 0.44 ZEZ ZF0 C8H11N1 non-polymer 0.00 0.00 ZF0 ZFB C18H18N3O3 L-peptide linking 0.00 0.00 ZFB ZFR C17H24O4 non-polymer 0.38 0.19 ZFR ZG1 C21H27N7O3 non-polymer 0.00 0.00 ZG1 ZG2 C29H34N6O3 non-polymer 0.00 0.00 ZG2 ZGA C35H46O14 non-polymer 1.00 0.80 ZGA ZGB C11H14O3 non-polymer 0.00 0.00 ZGB ZGC C10H12O3 non-polymer 0.00 0.00 ZGC ZGE C12F1H19N4O7 non-polymer 1.00 0.83 ZGE ZGL C5H10N2O3 D-peptide linking 0.00 0.00 ZGL ZGP C19H23N6O10P1S1 non-polymer 1.00 0.27 ZGP ZGR C18H24O6 non-polymer 0.38 0.17 ZGR ZGU C8H12N5O6P1 RNA linking 0.00 0.00 ZGU ZH1 C20H22O8 non-polymer 1.00 0.57 ZH1 ZH2 C21H19N3O4 non-polymer 0.50 0.36 ZH2 ZH3 H3O3Zn1 non-polymer 0.00 0.00 ZH3 ZH4 C21H17N3O4 non-polymer 0.50 0.36 ZH4 ZHA C12H13N1O2 non-polymer 0.00 0.00 ZHA ZHB C18H24O5 non-polymer 0.00 0.00 ZHB ZHH C9H13N1O1 non-polymer 0.00 0.00 ZHH ZHK C20Cl2H15N5O4S2 non-polymer 0.00 0.00 ZHK ZHN C22H34O5 non-polymer 0.50 0.30 ZHN ZHP C9H14N1O7P1 RNA linking 0.00 0.00 ZHP ZHZ C9H11N1O2 non-polymer 0.00 0.00 ZHZ ZI6 Br1C18F5H10N2O3 non-polymer 0.00 0.00 ZI6 ZI7 C15F5H8N3O2S1 non-polymer 0.00 0.00 ZI7 ZID C27H30N8O15P2 non-polymer 1.00 0.44 ZID ZIG C25F2H17N5O3S1 non-polymer 0.00 0.00 ZIG ZIL C20H30N2O5 non-polymer 0.48 0.81 ZIL ZIN C15H12N2O1 non-polymer 0.00 0.00 ZIN ZIO C35H61N1O12 non-polymer 1.00 0.42 ZIO ZIP C10H13N5 non-polymer 0.38 0.13 ZIP ZIR C15H21N5O4 non-polymer 1.00 0.54 ZIR ZIT C38H72N2O12 non-polymer 1.00 0.40 ZIT ZJ0 C18H28O3 non-polymer 0.00 0.00 ZJ0 ZJB C13H16N6O4 non-polymer 1.00 0.43 ZJB ZK1 C14F3H15N3O6P1 non-polymer 0.00 0.00 ZK1 ZK5 C21F1H29O5 non-polymer 0.60 0.30 ZK5 ZK9 C20F2H20N4O2 non-polymer 1.00 0.32 ZK9 ZKD C17H27N3O16P2S1 non-polymer 1.00 0.62 ZKD ZKG O39P1W11Zr1 non-polymer 0.00 0.00 ZKG ZKW C12Cl2H8N2O4 non-polymer 0.00 0.00 ZKW ZLD C16F1H20N3O4 non-polymer 0.00 0.00 ZLD ZLP C32H44N4O10S1 non-polymer 1.00 0.30 ZLP ZM3 C36H59N1O11 non-polymer 1.00 0.44 ZM3 ZMA C16H15N7O2 non-polymer 0.00 0.00 ZMA ZME C10H9N5 non-polymer 0.00 0.00 ZME ZMG C12F1H13N2O1S1 non-polymer 0.00 0.00 ZMG ZMK C19H35N2O10P1S1 non-polymer 0.69 0.48 ZMK ZMO C29H55N2O8P1S1 non-polymer 0.62 0.39 ZMO ZMP C25H49N2O8P1S1 non-polymer 0.62 0.27 ZMP ZMQ C27H51N2O8P1S1 non-polymer 0.62 0.41 ZMQ ZMR C12H20N4O7 non-polymer 1.00 0.87 ZMR ZN Zn1 non-polymer 0.00 0.00 ZN ZN0 C6Cl1H15Sn1 non-polymer 0.00 0.00 ZN0 ZN2 Zn1 non-polymer 0.00 0.00 ZN2 ZN3 H2O1Zn1 non-polymer 0.00 0.00 ZN3 ZN4 C13Cl1H21N2O2S1 non-polymer 0.00 0.00 ZN4 ZN5 Br2C2H6Sn1 non-polymer 0.00 0.00 ZN5 ZN6 C4Cl2H10Sn1 non-polymer 0.00 0.00 ZN6 ZN7 Br2C4H10Pb1 non-polymer 0.00 0.00 ZN7 ZN8 C3Cl1H9Sn1 non-polymer 0.00 0.00 ZN8 ZN9 Br1C3H9Pb1 non-polymer 0.00 0.00 ZN9 ZNA C21H28N7O13P2S1 non-polymer 1.00 0.52 ZNA ZNB Br1C22H26N14O7S1 non-polymer 1.00 0.44 ZNB ZND C30H28N4O4Zn1 non-polymer 0.00 0.00 ZND ZNE C28H41N1O3S1 non-polymer 0.25 0.15 ZNE ZNH C34H32N4O4Zn1 non-polymer 0.38 0.09 ZNH ZNN C6H13N5O1 non-polymer 0.00 0.00 ZNN ZNO H4O2Zn1 non-polymer 0.00 0.00 ZNO ZNP C10H12N2O3 non-polymer 0.00 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0.00 ZSO ZSP C9H11N5O3 non-polymer 0.75 0.29 ZSP ZST C19F3H12N3O3S1 non-polymer 0.00 0.00 ZST ZSV C32H35N2O8 non-polymer 0.36 0.10 ZSV ZSW C28H35N2O7 non-polymer 0.50 0.30 ZSW ZT0 C26H27N2O6 non-polymer 0.00 0.00 ZT0 ZT2 C18H12O5 non-polymer 0.00 0.00 ZT2 ZT4 C18H14O5 non-polymer 0.00 0.00 ZT4 ZTD C20H23N3O6 non-polymer 0.97 0.14 ZTD ZTH C8H13N2O7P1 non-polymer 1.00 0.50 ZTH ZTN C6F2H4O1 non-polymer 0.00 0.00 ZTN ZTP C40H68O7P2 non-polymer 0.62 0.84 ZTP ZTW C14H10O2S1 non-polymer 0.00 0.00 ZTW ZTX C24H26N6O2 non-polymer 0.00 0.00 ZTX ZU0 C8H17N1O3 L-peptide linking 0.67 1.00 ZU0 ZU3 C32H49N5O7 peptide-like 0.38 0.05 ZU3 ZU4 C18Cl1H22N1O1 non-polymer 0.00 0.00 ZU4 ZU5 C34H52N4O7 peptide-like 0.56 0.42 ZU5 ZUF C13Cl1H9N4S1 non-polymer 0.00 0.00 ZUF ZUI C22Cl1H23N4O3 non-polymer 1.00 0.30 ZUI ZUK C9H13N3O2 D-peptide linking 0.00 0.00 ZUK ZUN C18H22N4O6 non-polymer 0.00 0.00 ZUN ZUQ C15Cl1H13N4O3 non-polymer 1.00 0.39 ZUQ ZVO C8H8N6 non-polymer 0.00 0.00 ZVO ZVS C21F4H20N4O2S1 non-polymer 0.27 0.25 ZVS ZVT C20Cl1F1H20N4O2S1 non-polymer 0.27 0.28 ZVT ZVU C20F4H18N4O1S1 non-polymer 0.27 0.27 ZVU ZVV C22F3H23N4O2S1 non-polymer 0.27 0.25 ZVV ZVW C27F5H23N4O2S1 non-polymer 0.27 0.21 ZVW ZVX C20F3H19N4O2S1 non-polymer 0.27 0.27 ZVX ZVY C25H24N4O3 non-polymer 0.00 0.00 ZVY ZVZ C26H27N5O2 non-polymer 0.64 0.18 ZVZ ZW2 C13H10N2O3S1 non-polymer 0.00 0.00 ZW2 ZW3 C13H10N4O3S1 non-polymer 0.00 0.00 ZW3 ZWI C15H33N1O3S1 non-polymer 0.20 0.15 ZWI ZWZ C7H16N2O3 non-polymer 1.00 1.00 ZWZ ZX0 C12H22N4O6S1 non-polymer 0.00 0.00 ZX0 ZX1 C12H22N4O6S1 non-polymer 0.00 0.00 ZX1 ZX5 C18H25N3O4 non-polymer 1.00 0.48 ZX5 ZX6 C17H23N3O4 non-polymer 1.00 0.50 ZX6 ZX7 C16H21N3O4 non-polymer 1.00 0.52 ZX7 ZX8 C16H20N2O5 non-polymer 1.00 0.52 ZX8 ZX9 C20H30N2O4 non-polymer 1.00 0.46 ZX9 ZXA C9H18N2O4 non-polymer 1.00 0.80 ZXA ZXB C12H17N1O3 non-polymer 1.00 0.69 ZXB ZXC C10H7N5O1S1 non-polymer 0.00 0.00 ZXC ZXD C8H17N1O3 non-polymer 1.00 1.00 ZXD ZXG Br4C15H12O5S1 non-polymer 0.38 0.08 ZXG ZXI C7H8I1N1 non-polymer 0.00 0.00 ZXI ZXM B1C11H13N4O5S1 non-polymer 0.00 0.00 ZXM ZXW C15H24N7O14P3S1 non-polymer 1.00 0.25 ZXW ZXZ C11H11N1O1 non-polymer 0.00 0.00 ZXZ ZY0 C34F3H35N4O3 non-polymer 0.00 0.00 ZY0 ZY1 C32H38N4O5S1 non-polymer 0.00 0.00 ZY1 ZY2 C32H41N5O5S1 non-polymer 0.00 0.00 ZY2 ZY3 C31H40N4O5S1 non-polymer 0.00 0.00 ZY3 ZY4 C29H38N4O6S1 non-polymer 0.00 0.00 ZY4 ZY5 C18H18N2O2 non-polymer 0.00 0.00 ZY5 ZY6 C17H19N5O1 non-polymer 0.00 0.00 ZY6 ZY7 C19H20N2O2 non-polymer 0.00 0.00 ZY7 ZY9 C7H8N2O2 non-polymer 0.00 0.00 ZY9 ZYA C21F1H23N2O5 peptide-like 0.00 0.00 ZYA ZYB C7F1H7N2O1 non-polymer 0.00 0.00 ZYB ZYC C12H14O4 non-polymer 0.75 0.31 ZYC ZYD C27H44O3 non-polymer 0.55 0.20 ZYD ZYE C33H38N4O4 non-polymer 0.00 0.00 ZYE ZYF C37H53N5O12 non-polymer 0.47 0.37 ZYF ZYG C35H53N5O12 non-polymer 0.52 0.35 ZYG ZYH C25H30N6O2 non-polymer 0.00 0.00 ZYH ZYI C14Cl1H15N2O2 non-polymer 0.00 0.00 ZYI ZYJ C14H18N2O5 L-peptide linking 0.00 0.00 ZYJ ZYK C14H18N2O6 L-peptide linking 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C9H9N1O3 non-polymer 0.00 0.00 ZZ8 ZZ9 C21H36N5O8P1 non-polymer 1.00 0.46 ZZ9 ZZA C10H8N2O2 non-polymer 0.00 0.00 ZZA ZZB B1C19F1H22N6O8P1 non-polymer 1.00 0.28 ZZB ZZC C15H21N5O13P2 non-polymer 1.00 0.63 ZZC ZZD C22H21N1O2S1 L-peptide linking 0.00 0.00 ZZD ZZE C17H18N4O2 non-polymer 0.00 0.00 ZZE ZZF C18H18N4O3S1 non-polymer 0.00 0.00 ZZF ZZG C26H26N4O4 non-polymer 0.00 0.00 ZZG ZZH C22H20O3 non-polymer 0.00 0.00 ZZH ZZI C10H21N1O4 non-polymer 0.97 1.00 ZZI ZZJ C4H10N2O1 L-peptide linking 0.45 1.00 ZZJ ZZK C19H15N3O3 non-polymer 0.00 0.00 ZZK ZZL C25Cl1F2H15N4O2 non-polymer 0.00 0.00 ZZL ZZM C15H14N6 non-polymer 0.36 0.19 ZZM ZZN C28F1H22N7O2 non-polymer 0.00 0.00 ZZN ZZO C28F1H22N7O2 non-polymer 0.00 0.00 ZZO ZZP C22F1H19N4O4S1 non-polymer 0.00 0.00 ZZP ZZQ C25H23N5O3S1 non-polymer 0.00 0.00 ZZQ ZZR C3H6N7 non-polymer 0.00 0.00 ZZR ZZS C3H5N5 non-polymer 0.00 0.00 ZZS ZZT C8H11N1O1 non-polymer 0.00 0.00 ZZT ZZU C6H14N4O3 L-peptide linking 0.50 0.85 ZZU ZZV C20F1H18N3O4S1 non-polymer 0.20 0.14 ZZV ZZW C19F1H14N3O2 non-polymer 0.00 0.00 ZZW ZZX C21Cl1F1H21N5O4 non-polymer 0.50 0.12 ZZX ZZY C14H10N4O5S1 non-polymer 0.00 0.00 ZZY ZZZ C7H9N5O2 non-polymer 0.00 0.00 ZZZ
	Citation: Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y Disclaimer: The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited. The NetwrokX library is used in the CTPIC source codes. The Open Babel software package is used in the CTPIC source codes. Contact: For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).