Microstates

Showing 1001 through 1100 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1001 EN300-140582_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCCN5CC(F)F −11.3 ± 0.3
1002 EN300-247951_1_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.3 ± 0.2
1003 EN300-246747_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CC(=O)NC5 −11.3 ± 0.3
1004 EN300-1718194_1_1 molecule CO[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.3 ± 0.4
1005 EN300-6487680_3_1 molecule Cc1nnn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1006 EN300-304135_1_2 molecule CC[C@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1007 EN300-206592_1_2 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −11.3 ± 0.2
1008 EN300-146174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)CO −11.3 ± 0.3
1009 EN300-100689_3_2 molecule CC(=O)N1CCO[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1010 EN300-7431629_1_1 molecule Cc1nnc2n1CC[C@@]2(C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.3 ± 0.3
1011 EN300-191495_2_1 molecule CS(=O)(=O)C1(CC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.7
1012 EN300-7465954_1_1 molecule COc1c(=O)ccoc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1013 EN300-1073533_1_1 molecule COC1(CC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −11.3 ± 0.3
1014 EN300-158292_1_2 molecule CC(=O)N[C@H](C1CCOCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1015 EN300-215799_3_1 molecule Cc1c(c(no1)CO)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1016 EN300-19542_4_2 molecule C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.3 ± 0.3
1017 EN300-11195_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC5 −11.3 ± 0.2
1018 EN300-77359_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −11.3 ± 0.5
1019 EN300-182758_1_1 molecule Cc1nc(no1)Cn2cc(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.3 ± 0.2
1020 EN300-31184_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C(C)C −11.3 ± 0.3
1021 EN300-7355519_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@@H]6[C@@H](O5)CCO6 −11.3 ± 0.4
1022 EN300-298552_3_2 molecule CO[C@H]([C@@H]1CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1023 EN300-7549555_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5coc(n5)CO −11.3 ± 0.2
1024 EN300-128463_1_1 molecule CNC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1025 EN300-307084_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CC5C[C@@H]6O −11.3 ± 0.3
1026 EN300-1600517_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H](CO)F −11.3 ± 0.3
1027 EN300-66764_1_3 molecule COC(=O)[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1028 EN300-872798_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c(nnn5)C6CC6 −11.3 ± 0.5
1029 EN300-3710141_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCO5)C#N −11.3 ± 0.3
1030 EN300-171766_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5n[nH]c(=O)s5 −11.3 ± 0.3
1031 EN300-1265948_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCS(=O)(=O)CC5 −11.3 ± 0.3
1032 EN300-82179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)N −11.3 ± 0.2
1033 EN300-211203_3_2 molecule CC(C)[C@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.4
1034 EN300-19515_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5 −11.3 ± 0.3
1035 EN300-207959_1_2 molecule C[C@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1036 EN300-77006_1_1 molecule Cc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1037 EN300-74089_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)C#N −11.3 ± 0.4
1038 EN300-1724086_1_1 molecule C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −11.3 ± 0.2
1039 EN300-221022_1_1 molecule CCCN(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1040 EN300-246248_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCNC5=O −11.3 ± 0.3
1041 EN300-1605566_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CN6CCN5CC6 −11.3 ± 0.3
1042 EN300-2007564_1_2 molecule CC1([C@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.3 ± 0.3
1043 EN300-175506_1_1 molecule Cc1c(c(nc(=O)[nH]1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1044 EN300-7355519_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@@H]6[C@@H](O5)CCO6 −11.3 ± 0.3
1045 EN300-10170_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](CO)NC(=O)N −11.3 ± 0.3
1046 EN300-731622_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5COCCO5 −11.3 ± 0.3
1047 EN300-7456499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCCO −11.3 ± 0.4
1048 EN300-251867_1_1 molecule COCCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1049 EN300-300217_3_1 molecule C/C=C\[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.3 ± 0.3
1050 EN300-39504_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCS(=O)(=O)N −11.3 ± 0.6
1051 EN300-249764_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CCC5)O −11.3 ± 0.3
1052 EN300-113112_3_1 molecule Cn1cnnc1COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1053 EN300-97055_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]ccn5 −11.3 ± 0.3
1054 EN300-153257_3_2 molecule CC(C)[C@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1055 EN300-125409_1_2 molecule C[C@H](C(=O)N)N(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1056 EN300-301925_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCOC5)C#N −11.3 ± 0.3
1057 EN300-396748_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)CO −11.3 ± 0.3
1058 EN300-214800_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCNC5=O −11.3 ± 0.3
1059 EN300-1717443_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC56CS(=O)(=O)C6 −11.3 ± 0.3
1060 EN300-27268_1_1 molecule Cc1nc(on1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1061 EN300-33398_1_1 molecule CC(C)N1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1062 EN300-178876_3_2 molecule C[C@]1(CCCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.5
1063 EN300-154201_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −11.3 ± 0.3
1064 EN300-154201_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −11.3 ± 0.3
1065 EN300-30397_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.3 ± 0.3
1066 EN300-30397_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.3 ± 0.3
1067 EN300-6487134_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC56CC(C5)C(=O)NC6 −11.3 ± 0.4
1068 EN300-254121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cnc[nH]5)O −11.3 ± 0.3
1069 EN300-36690_1_1 molecule Cn1c(=O)ccn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1070 EN300-134855_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cccnc5)O −11.3 ± 0.3
1071 EN300-5253939_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)O5 −11.3 ± 0.3
1072 EN300-1588613_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCN6[C@@H]5COCC6 −11.3 ± 0.3
1073 EN300-1387104_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCS5(=O)=O −11.3 ± 0.3
1074 EN300-246248_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCNC5=O −11.3 ± 0.3
1075 EN300-65414_3_1 molecule CC(=O)NC(C)(C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1076 EN300-1600517_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CO)F −11.3 ± 0.3
1077 EN300-33478_1_1 molecule CCN1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1078 EN300-83529_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc6ncccn6n5 −11.3 ± 0.2
1079 EN300-246747_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CC(=O)NC5 −11.3 ± 0.3
1080 EN300-1708882_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5COC[C@H]5O −11.3 ± 0.2
1081 DAR-DIA-5ff57136-2_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −11.3 ± 0.2
1082 EN300-195756_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCC(=O)N5 −11.3 ± 0.2
1083 EN300-7385329_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6nccn6C5 −11.3 ± 0.3
1084 EN300-07268_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(c5)[nH]c(=O)c(=O)[nH]6 −11.3 ± 0.2
1085 EN300-6494859_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H](OC5)Cn6cccn6 −11.3 ± 0.3
1086 EN300-863933_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C −11.3 ± 0.3
1087 EN300-7463171_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCO −11.3 ± 0.6
1088 EN300-66845_1_2 molecule COC(=O)N1CCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1089 EN300-261056_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(cn5)c6ncccn6 −11.3 ± 0.2
1090 EN300-35781_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6ccccn6c5=O −11.3 ± 0.3
1091 EN300-307084_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CC5C[C@H]6O −11.3 ± 0.3
1092 EN300-129455_3_1 molecule CCNC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.4
1093 EN300-101373_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CO −11.3 ± 0.3
1094 EN300-253571_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nnnn6CC5 −11.3 ± 0.3
1095 EN300-222145_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CNC(=O)N5 −11.3 ± 0.3
1096 EN300-248526_1_2 molecule c1ccc(cc1)[C@](CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −11.3 ± 0.4
1097 EN300-128463_3_1 molecule CNC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
1098 EN300-222620_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc(cnc5)O −11.3 ± 0.3
1099 EN300-633533_3_1 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −11.3 ± 0.4
1100 EN300-219330_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOCC5=O −11.3 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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