Microstates

Showing 1001 through 1100 of 7698
Rank Microstate SMILES ΔG / kcal M-1
1001 EN300-259694_3_2_1 molecule CCO[C@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1002 EN300-198240_1_2_1 molecule Cn1cc(cn1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.8 ± 0.3
1003 EN300-221518_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.8 ± 0.2
1004 EN300-221518_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.8 ± 0.2
1005 EN300-221518_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.8 ± 0.2
1006 EN300-13890_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@@H]5CCS(=O)(=O)C5 −10.8 ± 0.3
1007 EN300-399606_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@H]6O −10.8 ± 0.3
1008 EN300-68618_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cocn5 −10.8 ± 0.2
1009 EDG-MED-90036822-98_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[N@]5CC(F)F −10.8 ± 0.4
1010 VLA-UCB-50c39ae8-7_1_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.8 ± 0.2
1011 EN300-20496_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCOC5=O −10.8 ± 0.2
1012 EN300-201551_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCC[N@]5CC(F)(F)F −10.8 ± 0.3
1013 EN300-6474341_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6cnnc6C5 −10.8 ± 0.2
1014 EN300-716207_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C(CO)(F)F −10.8 ± 0.3
1015 EN300-33601_3_2_1 molecule CN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1016 EN300-1244816_3_1_1 molecule Cc1nnnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1017 EDG-MED-90036822-98_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[N@]5CC(F)F −10.8 ± 0.3
1018 EN300-307008_1_2_1 molecule CN1[C@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1019 EN300-321597_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H](C5)O −10.8 ± 0.2
1020 DAR-DIA-5ff57136-15_1 molecule C#CC1(CC1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.8 ± 0.2
1021 EN300-2008240_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)n6ccnn6 −10.8 ± 0.3
1022 ALP-UNI-44c99a80-3_1_1 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.8 ± 0.2
1023 EN300-7459916_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(=O)CO −10.8 ± 0.2
1024 EN300-98648_2_2_1 molecule CN1CC[C@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1025 EN300-98648_2_2_1 molecule CN1CC[C@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1026 EN300-2666482_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)n6ccnc6 −10.8 ± 0.2
1027 EN300-297561_3_2_1 molecule CC(C)[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −10.8 ± 0.3
1028 EN300-5253939_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COC(=O)O5 −10.8 ± 0.3
1029 EDJ-MED-fcba3f31-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(COC5)CO −10.8 ± 0.3
1030 EN300-82553_1_1_1 molecule COc1ccc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1031 EN300-108413_1_1_1 molecule C[C@@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.8 ± 0.3
1032 EN300-59487_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)NC5 −10.8 ± 0.3
1033 PET-UNK-a692de38-1_1 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)NC#N −10.8 ± 0.3
1034 EN300-128750_1_1_1 molecule CC(=O)N(C)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1035 EN300-10402_3_1_1 molecule CS(=O)(=O)[N@]1CCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1036 EN300-7471076_1_3_1 molecule C[C@@H]1[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.8 ± 0.3
1037 EN300-258702_1_1_1 molecule Cn1ccc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1038 EN300-258702_1_1_1 molecule Cn1ccc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1039 EN300-10334_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCC(=O)N5CCS6 −10.8 ± 0.3
1040 EN300-302058_3_1_1 molecule CON1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1041 EN300-202922_2_4_1 molecule C[C@H]([C@](C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.8 ± 0.3
1042 EN300-254883_1_1_1 molecule Cc1c(non1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1043 EN300-1705754_3_1_1 molecule CC1(CS(=O)(=O)C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1044 EN300-21813_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccccc6nn5 −10.8 ± 0.4
1045 EN300-259694_3_1_1 molecule CCO[C@@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1046 EN300-104746_3_2_1 molecule CC[C@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.3
1047 EN300-1718836_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5nnc6n5CCOC6 −10.8 ± 0.3
1048 EN300-185398_3_2_1 molecule C[C@H](C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −10.8 ± 0.3
1049 ED_-GRI-5b13fbe2-21_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[NH2+]C[C@@H](O5)CO −10.7 ± 0.3
1050 EN300-118760_1_1_1 molecule C[C@@](C1CC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.7 ± 0.3
1051 JOH-SUS-a69c159d-6_1_1 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.75 ± 0.06
1052 EN300-193399_3_1_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C5CC5 −10.7 ± 0.4
1053 EN300-861925_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H](CO)F −10.7 ± 0.3
1054 EN300-250126_1_2_1 molecule CC(C)C[C@H](C(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1055 EN300-202922_1_3_1 molecule C[C@@H]([C@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.7 ± 0.2
1056 EDG-MED-90036822-88_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H](CCF)C[NH3+] −10.7 ± 0.3
1057 EN300-66082_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −10.7 ± 0.3
1058 EN300-61636_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)C(=O)NC6CC6 −10.7 ± 0.3
1059 EN300-6735683_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](O[C@@H](C5)CO)CO −10.7 ± 0.4
1060 EN300-1659582_1_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.2
1061 EN300-1659582_1_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.2
1062 EN300-1659582_1_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.2
1063 EN300-222969_3_1_1 molecule CN1C[C@@H](OC1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
1064 EDG-MED-90036822-43_1 molecule Cc1cncn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
1065 EN300-70064_3_1_1 molecule CNC(=O)C1(CCC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.4
1066 EN300-78135_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NC5CC5 −10.7 ± 0.2
1067 EDG-MED-90036822-27_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H](CN)C(F)(F)F −10.7 ± 0.6
1068 KAD-UNI-8a629cb0-1_2 molecule CS(=O)(=O)[N@]1CC[C@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.5
1069 EN300-175186_4_2_1 molecule C[C@H](CO)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1070 EN300-1273249_1_1_1 molecule CO[C@@H]1COC[C@H]1n2cc(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.7 ± 0.3
1071 EN300-6238494_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@H]5COCCO5 −10.7 ± 0.4
1072 EN300-383824_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c5=O)CCOC6 −10.7 ± 0.3
1073 EN300-36096_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCNC5=O −10.7 ± 0.3
1074 EN300-69070_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)N −10.7 ± 0.4
1075 EN300-1911992_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@@H]5CCOC5)O −10.7 ± 0.4
1076 EN300-6499531_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCCS5(=O)=O −10.7 ± 0.3
1077 EN300-12139_1_1_1 molecule CN(C)C(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1078 EN300-365398_1_1_1 molecule Cn1c(nnn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
1079 EN300-3710141_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCO5)C#N −10.7 ± 0.3
1080 EN300-73967_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCS(=O)(=O)CC5)C#N −10.7 ± 0.4
1081 EDG-MED-90036822-94_12 molecule C[C@H]1C[C@H]1[C@@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −10.7 ± 0.3
1082 EN300-125140_2_1_1 molecule COCC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1083 EN300-7089802_3_1_1 molecule C[C@@H]([C@@H](C)O)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1084 EN300-378722_1_1_1 molecule CN1CC[C@@H](C1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
1085 EN300-19342_1_1_1 molecule CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1086 EN300-6277108_3_4_1 molecule CO[C@H]([C@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
1087 EN300-20668_1_1_1 molecule COC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.2
1088 EN300-69162_3_2_1 molecule C[C@H](COC)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
1089 EN300-97904_1_1_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.4
1090 EN300-755161_3_1_1 molecule Cn1ncc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
1091 EN300-6744028_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O −10.7 ± 0.3
1092 KAD-UNI-8a629cb0-37_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 −10.7 ± 0.3
1093 EN300-313366_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C56CC[NH+](C5)CC6 −10.7 ± 0.3
1094 EN300-341337_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCO[C@@H]5CCOC6 −10.7 ± 0.3
1095 MIC-UNK-5a93dd5f-3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@H+]4CC[C@@H]5CCCC[C@@H]5C4 −10.7 ± 0.3
1096 EN300-1932013_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](CC(F)(F)F)O −10.7 ± 0.5
1097 MAT-POS-fce787c2-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](C#N)c3ccc(c(c3)Cl)Cl −10.7 ± 0.3
1098 EN300-315238_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](O5)C(=O)N −10.7 ± 0.3
1099 EN300-195924_1_2_1 molecule C[C@]1(CCC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
1100 VLA-UCB-34f3ed0c-20_1 molecule c1ccc2c(c1)cncc2N(C(=O)c3cnc[nH]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.7 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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