Microstates

Showing 1001 through 1100 of 1789
Rank Microstate SMILES ΔG / kcal M-1
1001 EN300-6970573_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(COC5)CF −8.4 ± 0.3
1002 EN300-97904_1_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.3
1003 ADA-UCB-dc2b944c-12_1 molecule Cc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.36 ± 0.09
1004 EN300-342462_1_1 molecule C[NH+]1CCC(CC1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.4
1005 EN300-1703718_3_1 molecule CC(=O)N1C[C@@H](C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.4 ± 0.3
1006 VLA-UCB-1dbca3b4-15_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.35 ± 0.04
1007 EN300-66082_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −8.3 ± 0.4
1008 EN300-10170_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](CO)NC(=O)N −8.3 ± 0.3
1009 EN300-1911992_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@@H]5CCOC5)O −8.3 ± 0.3
1010 EN300-48760_2_1 molecule CC(C)(C)NC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.4
1011 EN300-16216_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)N −8.3 ± 0.2
1012 EN300-110012_3_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −8.3 ± 0.4
1013 EN300-86732_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)[C@H]5CCCO5 −8.3 ± 0.4
1014 DAR-DIA-23e5a6a0-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CCC6([NH2+]5)CCC6)Cl −8.3 ± 0.3
1015 EN300-6491697_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5cccc(=O)[nH]5 −8.3 ± 0.3
1016 MAT-POS-b3e365b9-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.33 ± 0.04
1017 EN300-210084_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCC(=O)N5 −8.3 ± 0.3
1018 EN300-378343_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC=C[C@H]5CO −8.3 ± 0.3
1019 EN300-1724771_1_1 molecule CC(=O)N1CCN(CC1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.5
1020 EN300-1724771_1_1 molecule CC(=O)N1CCN(CC1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.5
1021 EN300-6493742_1_1 molecule C[NH+](C)C1(CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.3 ± 0.5
1022 EN300-20496_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCOC5=O −8.3 ± 0.4
1023 EN300-1706036_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5C(=O)NCCO5 −8.3 ± 0.3
1024 MAT-POS-f7918075-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.31 ± 0.05
1025 EN300-117414_2_1 molecule C[C@@H](CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.3
1026 EN300-35592_2_1 molecule Cn1cc(cc1C(=O)N)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.5
1027 EN300-1699871_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCS(=O)(=O)N5 −8.3 ± 0.4
1028 EN300-204935_4_1 molecule Cn1ncc(n1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.3
1029 EN300-7003350_2_1 molecule CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.2
1030 EN300-7003350_2_1 molecule CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.2
1031 EN300-7003350_2_1 molecule CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.2
1032 EN300-260816_4_1 molecule CN1CC[C@@H](C1=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.4
1033 EN300-179091_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC(F)F −8.3 ± 0.2
1034 BEN-BAS-5c03e89e-1_1 molecule CC(C)([C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O −8.3 ± 0.2
1035 EN300-7500524_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H](C5)COC(=O)N6 −8.3 ± 0.3
1036 EN300-30572_1_1 molecule CS(=O)(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.4
1037 EN300-77092_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5OCCO5 −8.3 ± 0.3
1038 EN300-6501360_1_2 molecule CN(C)C(=O)NC[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.3 ± 0.5
1039 JOH-SUS-a69c159d-5_1 molecule c1cc2c(cc1F)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.28 ± 0.07
1040 MAT-POS-11b63608-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Br −8.28 ± 0.05
1041 EN300-109920_2_1 molecule C[C@@H]1CO[C@@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.3 ± 0.6
1042 EN300-132523_1_1 molecule C[N@@](CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −8.3 ± 0.4
1043 EN300-7433071_1_2 molecule C[NH+](C)[C@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.3 ± 0.6
1044 EN300-101373_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H](C5)CO −8.3 ± 0.3
1045 EN300-36850_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)C5CC5 −8.3 ± 0.3
1046 BEN-DND-c852c98b-7_1 molecule c1cc2cncc(c2cc1C(F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.25 ± 0.07
1047 EN300-23317_3_1 molecule C[C@@H](C(=O)NCCOC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5
1048 EN300-05277_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCC(=O)N5CCOCC5 −8.2 ± 0.4
1049 DAR-DIA-6a508060-4_2 molecule COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.2 ± 0.1
1050 DAR-DIA-0d514e7d-19_1 molecule C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2
1051 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −8.2 ± 0.3
1052 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −8.2 ± 0.3
1053 EN300-314088_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@@H](C5)CO)CO −8.2 ± 0.3
1054 EN300-378343_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC=C[C@@H]5CO −8.2 ± 0.3
1055 DAR-DIA-23e5a6a0-10_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CC6([NH2+]5)CC6)Cl −8.2 ± 0.3
1056 EN300-23214_2_1 molecule CCCNC(=O)[C@@H](C)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.4
1057 EDJ-MED-28ec730d-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC5CCOCC5 −8.2 ± 0.2
1058 EN300-114134_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC[N@]5CCCS5(=O)=O −8.2 ± 0.4
1059 EN300-1699871_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CCS(=O)(=O)N5 −8.2 ± 0.3
1060 EN300-04492_4_1 molecule COCCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5
1061 EN300-818706_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6C[C@H]5C(=O)N6 −8.2 ± 0.3
1062 EN300-67533_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](C5CC5)O −8.2 ± 0.3
1063 EN300-13668_2_1 molecule CN(CC(=O)NC1CC1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3
1064 EN300-25791_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)C(=O)N −8.2 ± 0.3
1065 EN300-331993_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)Nc5[nH]ccn5 −8.2 ± 0.3
1066 EN300-36851_1_4 molecule C[C@H]1C[C@H]1C(=O)NCCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3
1067 EN300-1709410_2_4 molecule C[C@H]1C[C@H](N1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.2 ± 0.3
1068 EN300-260603_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]c(=O)[nH]5 −8.2 ± 0.3
1069 EN300-3451857_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC(=O)NC5=O −8.2 ± 0.3
1070 EN300-45384_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CC[NH+](CC5)C −8.2 ± 0.6
1071 EN300-379020_1_1 molecule Cn1ccn2c(nnc2c1=O)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.2 ± 0.2
1072 EN300-118760_3_2 molecule C[C@](C1CC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.2 ± 0.4
1073 EN300-66494_2_1 molecule CNC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3
1074 DAR-DIA-0d514e7d-21_1 molecule C[C@H]1COc2c(cc(cc2N3CC[NH2+]CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3
1075 EN300-251396_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@](C5)(CO)O −8.2 ± 0.5
1076 EN300-317555_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NCCO5 −8.2 ± 0.3
1077 EN300-116092_2_1 molecule CCS(=O)(=O)NCCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5
1078 EN300-322400_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F −8.2 ± 0.2
1079 EN300-1699871_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)N5 −8.2 ± 0.2
1080 EN300-65839_1_2 molecule CC[C@H](C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2
1081 EN300-71560_1_1 molecule COC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3
1082 EN300-226314_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@@H]5CCS(=O)(=O)C5 −8.2 ± 0.4
1083 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −8.2 ± 0.4
1084 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −8.2 ± 0.4
1085 EN300-185378_4_1 molecule C[C@@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.2 ± 0.3
1086 EN300-6482967_4_1 molecule CNS(=O)(=O)CCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.4
1087 EN300-132624_2_1 molecule CCC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3
1088 DAR-DIA-0d514e7d-29_1 molecule C[C@@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −8.2 ± 0.2
1089 EN300-44149_3_1 molecule Cn1c2c(cn1)c(=O)[nH]c(n2)COCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.2 ± 0.4
1090 EN300-1911992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]([C@@H]5CCOC5)O −8.2 ± 0.2
1091 EN300-253443_3_1 molecule CCCN1C[C@@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3
1092 MAK-UNK-8be7dca9-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4OC[C@@H]3C[NH3+])Cl −8.2 ± 0.1
1093 EN300-333677_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]([C@@H](C5)CO)CO −8.2 ± 0.3
1094 EN300-724976_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+]5CCC(CC5)O −8.2 ± 0.5
1095 EN300-26031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5nnc6n5CCC6 −8.2 ± 0.3
1096 EN300-37195_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCCCNC5=O −8.2 ± 0.3
1097 EN300-77885_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)C5CC5 −8.2 ± 0.3
1098 EN300-154201_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CO −8.2 ± 0.3
1099 EN300-154201_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CO −8.2 ± 0.3
1100 EN300-6255179_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −8.1 ± 0.3
Last updated 2021-02-02T08:57:24.808796+00:00
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