Microstates

Showing 901 through 1000 of 6099
Rank Microstate SMILES ΔG / kcal M-1
901 EN300-74200_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCCO)CCO −8.3 ± 0.3
902 EN300-7425362_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCOCC(=O)N6 −8.3 ± 0.2
903 EN300-15368_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccccc5OCC(=O)N −8.3 ± 0.3
904 EN300-249086_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H](C5)C(=O)N −8.3 ± 0.2
905 EN300-1425677_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)CO −8.3 ± 0.3
906 EN300-1425677_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)CO −8.3 ± 0.3
907 EN300-62448_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CCC5 −8.3 ± 0.2
908 EN300-364679_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cnnn5 −8.3 ± 0.2
909 EN300-7457160_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NO[C@H](C5)CC6(COC6)O −8.3 ± 0.3
910 EN300-1604607_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C56CC(C5)OC6 −8.3 ± 0.2
911 EN300-20496_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCOC5=O −8.3 ± 0.2
912 EN300-123614_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)NC(=O)N −8.3 ± 0.3
913 EN300-97300_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5F −8.3 ± 0.2
914 EN300-122579_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@@H]5CO −8.3 ± 0.3
915 EN300-1387104_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS5(=O)=O −8.3 ± 0.3
916 EN300-100467_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5ccnn5 −8.3 ± 0.2
917 EN300-68618_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cocn5 −8.3 ± 0.2
918 EN300-6764893_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)OCCO −8.3 ± 0.2
919 EN300-1600517_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CO)F −8.3 ± 0.2
920 EN300-46832_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@@H]5CCOC5 −8.3 ± 0.3
921 EN300-185751_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −8.3 ± 0.2
922 EN300-185751_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −8.3 ± 0.2
923 EN300-222357_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCc5cn[nH]n5 −8.3 ± 0.2
924 EN300-1268016_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]6[C@@H]5C[C@H](C6)C(=O)N −8.3 ± 0.2
925 EN300-7456499_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCCO −8.3 ± 0.4
926 EN300-90531_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[C@@H]5C(=O)N −8.3 ± 0.3
927 EN300-1704723_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCCF −8.3 ± 0.2
928 EN300-94945_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCNC5=O −8.3 ± 0.2
929 EN300-147397_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6nccn6c5 −8.3 ± 0.2
930 EN300-7355519_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 −8.3 ± 0.3
931 EN300-1703015_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)Nc5[nH]ccn5 −8.3 ± 0.2
932 EN300-783124_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]([C@H]5CCOC5)F −8.3 ± 0.2
933 EN300-44873_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@]5CCCS5(=O)=O −8.3 ± 0.3
934 EN300-6504498_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)n6cncn6 −8.3 ± 0.3
935 EN300-51350_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6nncn6C5 −8.3 ± 0.3
936 EN300-171766_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5n[nH]c(=O)s5 −8.3 ± 0.2
937 EN300-1911992_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]([C@H]5CCOC5)O −8.3 ± 0.3
938 EN300-52467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCO −8.3 ± 0.2
939 EN300-52467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCO −8.3 ± 0.2
940 EN300-52467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCO −8.3 ± 0.2
941 EN300-7441080_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6cccn6c(=O)[nH]5 −8.3 ± 0.2
942 EN300-08063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC(CC5)C(=O)N −8.3 ± 0.3
943 EN300-79588_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCS(=O)(=O)N −8.3 ± 0.3
944 EN300-79588_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCS(=O)(=O)N −8.3 ± 0.3
945 EN300-6745712_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CNC(=O)N6 −8.3 ± 0.3
946 EN300-247468_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC56COC6 −8.3 ± 0.2
947 EN300-85760_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCO5 −8.3 ± 0.2
948 EN300-318110_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)[C@H](C(=O)N)F −8.3 ± 0.3
949 EN300-71405_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccn[nH]5 −8.3 ± 0.2
950 EN300-1932780_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C(F)F)O −8.3 ± 0.2
951 EN300-39278_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCS(=O)(=O)CC5 −8.3 ± 0.2
952 EN300-1726277_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](n5cccn5)F −8.3 ± 0.2
953 EN300-60330_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CCC6=O −8.3 ± 0.2
954 VLA-UCB-34f3ed0c-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5ccn[nH]5 −8.3 ± 0.2
955 DAR-DIA-0d514e7d-6_1 molecule C[C@H]1COc2c(cc(cc2OC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.2
956 EN300-378343_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC=C[C@@H]5CO −8.3 ± 0.2
957 EN300-219496_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[N@@](C5)S(=O)(=O)N −8.3 ± 0.5
958 EN300-188356_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)F −8.3 ± 0.2
959 EN300-122579_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@H]5CO −8.3 ± 0.3
960 EN300-1644723_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −8.3 ± 0.2
961 EN300-366687_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6nncn6CC5 −8.3 ± 0.3
962 EN300-341337_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56CCO[C@H]5CCOC6 −8.3 ± 0.3
963 EN300-321703_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCOC5COC5 −8.3 ± 0.2
964 EN300-77778_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCS(=O)(=O)C5 −8.3 ± 0.2
965 PET-UNK-29afea89-1_1 molecule C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.25 ± 0.10
966 EN300-332002_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6n5c(=O)ccc6 −8.3 ± 0.3
967 EN300-05512_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCS(=O)(=O)C5 −8.3 ± 0.4
968 EN300-42270_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnsn5 −8.3 ± 0.2
969 EN300-1653482_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCn6c(nnn6)C5 −8.3 ± 0.2
970 EN300-21258_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCO −8.2 ± 0.2
971 EN300-101796_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)OCCO −8.2 ± 0.3
972 EN300-128277_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC(F)F −8.2 ± 0.2
973 EN300-107048_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CC5)CO −8.2 ± 0.3
974 EN300-7493255_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](OCC56CC6)CO −8.2 ± 0.3
975 EN300-7457159_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(on5)C6(COC6)O −8.2 ± 0.2
976 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 −8.2 ± 0.2
977 EN300-98099_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cs5)S(=O)(=O)N −8.2 ± 0.2
978 EN300-6762327_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](Cc5ccccn5)O −8.2 ± 0.3
979 EN300-154944_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5OCCO5 −8.2 ± 0.3
980 EN300-363154_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc([nH]c5=O)CC6CC6 −8.2 ± 0.3
981 EN300-227055_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)NC5=O −8.2 ± 0.2
982 EN300-1387104_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCS5(=O)=O −8.2 ± 0.2
983 EN300-35843_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]c(=O)[nH]n5 −8.2 ± 0.2
984 EN300-269627_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(Cn6ccnn6)O −8.2 ± 0.3
985 EN300-233951_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)O −8.2 ± 0.3
986 EN300-233951_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)O −8.2 ± 0.3
987 EN300-183001_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC#N −8.2 ± 0.2
988 EN300-120920_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCC(=O)NC5=O −8.2 ± 0.2
989 EN300-70489_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)C#N −8.2 ± 0.2
990 EN300-123489_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CO)(F)F −8.2 ± 0.3
991 EN300-212795_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5CNC(=O)N −8.2 ± 0.3
992 EN300-1608992_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(C#N)C(=O)N −8.2 ± 0.3
993 EN300-169955_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CC(=O)N5)C(F)(F)F −8.2 ± 0.2
994 EN300-6504697_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC6(CC6)S(=O)(=O)N5 −8.2 ± 0.3
995 EN300-97938_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@@H](C5)O)O −8.2 ± 0.2
996 EN300-1700143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)c6ncon6 −8.2 ± 0.2
997 EN300-44873_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC[N@@]5CCCS5(=O)=O −8.2 ± 0.5
998 EN300-104493_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@@H]5CCOC5 −8.2 ± 0.4
999 EN300-1718836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nnc6n5CCOC6 −8.2 ± 0.2
1000 EN300-250120_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCS(=O)(=O)CC5 −8.2 ± 0.3
Last updated 2020-12-08T20:22:29.488528+00:00
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