Microstates

Showing 901 through 1000 of 11295
Rank Microstate SMILES ΔG / kcal M-1
901 EN300-1644723_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@H]6[C@H]5COCC6 −11.4 ± 0.3
902 EN300-315963_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cnoc5 −11.4 ± 0.3
903 EN300-332601_3_2 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −11.4 ± 0.3
904 EN300-103638_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCOC5=O −11.4 ± 0.3
905 EN300-99983_1_1 molecule CNC(=O)Cc1nc(on1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
906 EN300-1723214_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(c5)c(=O)[nH]c(=O)[nH]6 −11.4 ± 0.4
907 EN300-304135_3_2 molecule CC[C@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
908 EN300-10747_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CSCC5=O −11.4 ± 0.3
909 EN300-188341_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cn5)O −11.4 ± 0.3
910 EN300-107493_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCNC(=O)C5 −11.4 ± 0.3
911 EN300-1273362_2_2 molecule C[C@]1(CN(C1=O)C)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
912 EN300-225053_1_1 molecule COc1cnc(nc1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
913 EN300-68747_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)C(=O)N −11.4 ± 0.3
914 EN300-1212400_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H]5CO)CO −11.4 ± 0.3
915 EN300-7355981_1_1 molecule Cn1c2c(c(n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nc[nH]c2=O −11.4 ± 0.3
916 EN300-21303_3_1 molecule CCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.2
917 EN300-30397_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.4 ± 0.3
918 EN300-30397_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.4 ± 0.3
919 EN300-42269_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnns5 −11.4 ± 0.2
920 EN300-120920_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCC(=O)NC5=O −11.4 ± 0.3
921 EN300-310398_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)S(=O)(=O)N −11.4 ± 0.3
922 EN300-370967_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −11.4 ± 0.2
923 EN300-370967_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −11.4 ± 0.2
924 EN300-29520_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5nccc6 −11.4 ± 0.2
925 EN300-333468_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5Cl)CCO −11.4 ± 0.3
926 EN300-201346_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)N5 −11.4 ± 0.3
927 EN300-122656_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O −11.4 ± 0.4
928 EN300-254883_3_1 molecule Cc1c(non1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
929 EN300-173006_3_1 molecule C[C@@H](c1nnnn1C)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
930 EN300-783124_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H]5CCOC5)F −11.4 ± 0.2
931 EN300-266736_1_1 molecule Cc1c(nc[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
932 EN300-6277108_1_3 molecule CO[C@@H]([C@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
933 EN300-7435545_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCO[C@@H]5C(=O)N −11.4 ± 0.4
934 EN300-28571_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5n6cncn6 −11.4 ± 0.3
935 EN300-1072972_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCOC5=O −11.4 ± 0.3
936 EN300-304135_3_1 molecule CC[C@@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
937 EN300-1273362_2_1 molecule C[C@@]1(CN(C1=O)C)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
938 EN300-82616_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCNC5=O −11.4 ± 0.3
939 EN300-197715_1_1 molecule Cc1nnnn1CCCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
940 EN300-14628_1_2 molecule CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@H]5CCS(=O)(=O)C5 −11.4 ± 0.5
941 EN300-761220_3_1 molecule CC(=O)N1CSC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
942 EN300-6729572_3_7 molecule C[C@@H]([C@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.4 ± 0.3
943 EN300-24297_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5csnn5 −11.4 ± 0.3
944 EN300-103031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c([nH]n5)CCOC6 −11.4 ± 0.3
945 EN300-248352_1_1 molecule Cn1c(cc(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
946 EN300-7461023_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N(=O)=O −11.4 ± 0.2
947 EN300-260816_3_1 molecule CN1CC[C@@H](C1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
948 EN300-6743783_1_1 molecule COC[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
949 EN300-12929_1_1 molecule Cc1cc(no1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
950 EN300-65050_3_1 molecule CC(C)(CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
951 EN300-25986_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cccn5 −11.4 ± 0.3
952 EN300-246248_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCNC5=O −11.4 ± 0.3
953 EN300-05798_1_1 molecule Cn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
954 EN300-98018_3_2 molecule CC(=O)N1CC[C@](C1)(C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
955 EN300-59487_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)NC5 −11.4 ± 0.2
956 EN300-6737762_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCNC5=O −11.4 ± 0.2
957 EN300-1600363_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5C#N −11.4 ± 0.2
958 EN300-6734171_3_2 molecule C[C@]1(CCC(=O)N(C1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
959 EN300-1932780_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C(F)F)O −11.4 ± 0.2
960 EN300-755161_1_1 molecule Cn1ncc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
961 EN300-360157_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@]5(CCOC5)O −11.4 ± 0.2
962 EN300-6255179_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −11.4 ± 0.3
963 EN300-6255179_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −11.4 ± 0.3
964 EN300-152913_1_1 molecule CN(C)c1nc(on1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
965 EN300-264744_3_2 molecule CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −11.4 ± 0.3
966 EN300-6729572_1_1 molecule C[C@@H]([C@@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.4 ± 0.3
967 EN300-98018_1_1 molecule CC(=O)N1CC[C@@](C1)(C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
968 EN300-137191_1_1 molecule Cc1cc(n(c(=O)n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.4 ± 0.3
969 EN300-219531_1_1 molecule CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.4 ± 0.3
970 EN300-206646_1_1 molecule CS(=O)(=O)c1cncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
971 EN300-211779_3_1 molecule CC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
972 EN300-103638_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCOC5=O −11.4 ± 0.3
973 EN300-252961_1_2 molecule COC[C@H]1C[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.4 ± 0.3
974 EN300-52193_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCO −11.4 ± 0.3
975 EN300-181938_1_1 molecule C[C@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −11.4 ± 0.2
976 EN300-4293814_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)CCO −11.4 ± 0.5
977 EN300-100689_3_1 molecule CC(=O)N1CCO[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
978 EN300-60033_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC[C@H]5CCCO5 −11.4 ± 0.4
979 EN300-6734171_1_1 molecule C[C@@]1(CCC(=O)N(C1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
980 EN300-72730_3_1 molecule C[C@@H](C#N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.2
981 EN300-1705754_3_1 molecule CC1(CS(=O)(=O)C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
982 EN300-128715_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NCC(F)(F)F −11.4 ± 0.3
983 EN300-1258964_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −11.4 ± 0.4
984 EN300-331828_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5COC[C@H]5O −11.4 ± 0.3
985 EN300-1697480_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6c(cnn6c5)C#N −11.4 ± 0.3
986 EN300-138676_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)CC(F)(F)F −11.4 ± 0.3
987 EN300-7457159_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(on5)C6(COC6)O −11.4 ± 0.3
988 EN300-1715993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 −11.3 ± 0.2
989 EN300-364992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CC[C@H](O5)C(=O)N −11.3 ± 0.3
990 EN300-365017_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C6(COC6)O −11.3 ± 0.3
991 EN300-7435400_1_1 molecule C[C@@H]1C[C@@H](CC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
992 EN300-1724086_1_4 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 ± 0.3
993 EN300-107048_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)CO −11.3 ± 0.2
994 EN300-1655797_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)O)F −11.3 ± 0.3
995 EN300-95639_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)O)CO −11.3 ± 0.4
996 EN300-303908_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C[C@H]6C5)O −11.3 ± 0.2
997 EN300-83558_1_1 molecule Cc1ccnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.2
998 EN300-233678_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O −11.3 ± 0.3
999 EN300-85853_1_1 molecule Cc1cc(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
1000 EN300-210552_3_1 molecule CC(=O)N1CCC[C@@](C1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.3 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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