Microstates

Showing 901 through 1000 of 7698
Rank Microstate SMILES ΔG / kcal M-1
901 EN300-316193_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6COC(=O)[C@H]6C5 −10.9 ± 0.3
902 EN300-188341_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cn5)O −10.9 ± 0.2
903 EN300-42270_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnsn5 −10.9 ± 0.2
904 EN300-69588_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)CC5 −10.9 ± 0.3
905 DAR-DIA-5ff57136-15_1_1 molecule C#CC1(CC1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.9 ± 0.2
906 EN300-11714_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccccc5=O −10.9 ± 0.3
907 EN300-365017_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C6(COC6)O −10.9 ± 0.3
908 EN300-125409_1_2_1 molecule C[C@H](C(=O)N)N(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
909 EN300-7435545_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCO[C@@H]5C(=O)N −10.9 ± 0.3
910 EN300-1589101_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c[nH]nc5 −10.9 ± 0.3
911 EN300-04492_3_1_1 molecule COCCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
912 EN300-313410_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(ncn5)N6CCOCC6 −10.9 ± 0.3
913 EN300-216978_4_1_1 molecule Cn1nc(nn1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
914 EN300-10729_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)N −10.9 ± 0.3
915 EN300-103031_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c([nH]n5)CCOC6 −10.9 ± 0.2
916 EN300-6494158_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H](CO5)CO −10.9 ± 0.3
917 EN300-120414_1_4_1 molecule C[C@H]1C[N@]2CC[N@@H+]1C[C@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.9 ± 0.4
918 EN300-1600517_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CO)F −10.9 ± 0.3
919 EN300-1073533_1_1_1 molecule COC1(CC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −10.9 ± 0.2
920 DAR-DIA-9e4459de-15_8 molecule c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O −10.9 ± 0.2
921 EDJ-MED-d203f206-23_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCCNC5=O −10.9 ± 0.2
922 EDJ-MED-d203f206-33_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H]5C(=O)N)O −10.9 ± 0.3
923 EN300-702615_1_1_1 molecule CCc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
924 EN300-302058_1_2_1 molecule CON1CC[C@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
925 EN300-51257_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.9 ± 0.2
926 EN300-861925_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H](CO)F −10.9 ± 0.3
927 EDG-MED-90036822-45_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5[nH]ccn5)(F)F −10.9 ± 0.2
928 VLA-UNK-f702bf1c-2_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6ccn[nH]6 −10.9 ± 0.3
929 EN300-1696962_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCn5cnnn5 −10.9 ± 0.3
930 EN300-224741_1_2_1 molecule CC[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.9 ± 0.2
931 EN300-51244_1_1_1 molecule Cc1cc(n(n1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
932 EN300-7352438_1_1_1 molecule COC[C@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
933 EN300-14405_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6n(c5=O)CCS6 −10.9 ± 0.3
934 EN300-7473378_1_1_1 molecule C[NH+]1CCC(CC1)(C#N)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
935 EDG-MED-90036822-40_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CN5CC(C5)O)(F)F −10.9 ± 0.3
936 EN300-304662_1_1_1 molecule Cc1nnc(o1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
937 EN300-97300_3_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5F −10.8 ± 0.2
938 EN300-66770_1_1_1 molecule CNC(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
939 EDG-MED-90036822-94_3 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 −10.8 ± 0.2
940 EN300-82179_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)N −10.8 ± 0.2
941 EN300-37195_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCCCNC5=O −10.8 ± 0.3
942 EN300-36158_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COCCO5 −10.8 ± 0.2
943 EN300-203402_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)[nH]6 −10.8 ± 0.3
944 EN300-62574_2_1_1 molecule Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
945 EN300-863933_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C −10.8 ± 0.3
946 EN300-6729747_1_1_1 molecule C[C@@H]1NN[C@@H]2[N@H+]1C[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.5
947 EN300-783124_3_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]([C@H]5CCOC5)F −10.8 ± 0.3
948 EN300-1718836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nnc6n5CCOC6 −10.8 ± 0.3
949 EN300-217494_1_3_1 molecule C[C@@]([C@H]1CCOC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.8 ± 0.3
950 EN300-651307_1_2_1 molecule CC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.8 ± 0.3
951 EN300-633533_3_1_1 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −10.8 ± 0.3
952 EDG-MED-90036822-101_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC(C5)(F)F)O −10.8 ± 0.3
953 JOH-SUS-a69c159d-7_1 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.84 ± 0.06
954 EN300-127197_3_1_1 molecule COc1cc(on1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
955 EN300-124384_1_1_1 molecule Cn1c2c(cn1)c(=O)c(c[nH]2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
956 EN300-152418_1_1_1 molecule Cn1cncc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
957 EN300-150749_1_1_1 molecule Cn1c(=O)cc([nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
958 EN300-219330_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOCC5=O −10.8 ± 0.3
959 VLA-UCB-50c39ae8-10_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −10.8 ± 0.3
960 EN300-207873_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)O −10.8 ± 0.2
961 EN300-31102_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCN(CC5)S(=O)(=O)N −10.8 ± 0.2
962 EN300-135660_1_1_1 molecule CC1(COC1)Cn2cc(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
963 EN300-123916_1_1_1 molecule CN(C)c1cnc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
964 CHO-MSK-5891c1ff-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5n[nH]c(=O)s5 −10.8 ± 0.2
965 EN300-40225_1_1_1 molecule Cc1c(cnn1CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
966 EN300-6731226_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@H]5CC(=O)NC6 −10.8 ± 0.4
967 EN300-42591_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)NC5CC5 −10.8 ± 0.3
968 EN300-385267_1_1_1 molecule CO[C@@]1(CCS(=O)(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
969 EN300-6479181_3_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H]6N5C(=O)CC6 −10.8 ± 0.3
970 EN300-6482296_1_8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@H]6[C@H]5COC6 −10.8 ± 0.2
971 EN300-651307_1_1_1 molecule CC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.8 ± 0.3
972 EN300-1696058_1_1_1 molecule CC(=O)OCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
973 EDG-MED-ba1ac7b9-24_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(F)(F)F)C5COC5 −10.8 ± 0.3
974 EN300-217107_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H]5C(=O)N −10.8 ± 0.2
975 VLA-UNK-f702bf1c-6_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −10.8 ± 0.3
976 EN300-6482967_3_1_1 molecule CNS(=O)(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
977 EN300-155498_1_1_2 molecule CC(C)[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.3
978 EN300-174668_3_1_1 molecule CO[C@@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
979 EN300-217107_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −10.8 ± 0.3
980 EN300-233951_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H](C5)O −10.8 ± 0.3
981 EN300-6974806_3_1_1 molecule C[C@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.8 ± 0.3
982 EDG-MED-90036822-99_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@H](C5CCC5)O)F −10.8 ± 0.3
983 EN300-365398_4_1_1 molecule Cn1c(nnn1)CCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
984 EN300-295905_1_4_1 molecule C[C@H]1CN(C[C@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
985 EN300-393148_3_2_1 molecule C[N@@]1[C@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
986 EN300-42591_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)NC5CC5 −10.8 ± 0.3
987 EN300-120820_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cn[nH]c5=O −10.8 ± 0.3
988 EN300-206646_1_1_1 molecule CS(=O)(=O)c1cncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
989 EN300-6953121_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5F −10.8 ± 0.2
990 EN300-90142_3_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −10.8 ± 0.3
991 EN300-1988306_1_1_1 molecule CS(=O)(=O)CCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
992 EN300-246747_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CC(=O)NC5 −10.8 ± 0.3
993 EN300-765003_1_1_1 molecule COC(=O)[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
994 EN300-128715_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NCC(F)(F)F −10.8 ± 0.2
995 EN300-6764836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]6[C@@H]([C@@H]([C@@H]5O6)O)O −10.8 ± 0.3
996 DAR-DIA-5ff57136-11_1 molecule C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.8 ± 0.2
997 EN300-3710141_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCO5)C#N −10.8 ± 0.2
998 EN300-2910941_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C(F)(F)F −10.8 ± 0.2
999 EN300-182913_3_1_1 molecule CC(C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1000 EN300-115017_1_1_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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