Microstates

Showing 1901 through 2000 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1901 EN300-332453_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@@H](c5cccnc5)O −7.5 ± 0.4
1902 EN300-188341_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(cn5)O −7.5 ± 0.3
1903 EN300-183231_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5n[n-]nn5 −7.5 ± 0.3
1904 EN300-325737_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccccn6nn5 −7.5 ± 0.2
1905 EN300-157502_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5OCCCO5 −7.5 ± 0.2
1906 VLA-UCB-1dbca3b4-14_2 molecule C[C@@]1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −7.48 ± 0.10
1907 EN300-1706036_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C(=O)NCCO5 −7.5 ± 0.2
1908 EN300-188356_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)F −7.5 ± 0.3
1909 EN300-182084_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5cscn5 −7.5 ± 0.2
1910 EN300-54541_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)N5 −7.5 ± 0.2
1911 EN300-210110_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C6CC6 −7.5 ± 0.2
1912 EN300-1178209_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCc5cn[nH]n5 −7.5 ± 0.2
1913 EN300-36089_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5ccncc5 −7.5 ± 0.2
1914 EN300-114082_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)C#N −7.5 ± 0.2
1915 EN300-2666482_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)n6ccnc6 −7.5 ± 0.2
1916 EN300-90142_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −7.5 ± 0.3
1917 EN300-321960_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn6c([nH+]5)COCC6 −7.5 ± 0.2
1918 EN300-65383_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cc[nH]c(=O)c5=O −7.5 ± 0.3
1919 EN300-175300_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5nnc6n5CCC6 −7.5 ± 0.3
1920 EN300-1272704_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCO[C@@H]5c6[nH]ncn6 −7.5 ± 0.3
1921 EN300-05620_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCNC(=O)N −7.5 ± 0.2
1922 EN300-61086_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N([C@H]5CC(=O)NC5=O)C6CC6 −7.5 ± 0.3
1923 EN300-22880_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@H](C5)C(=O)N −7.5 ± 0.2
1924 EN300-79588_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCS(=O)(=O)N −7.5 ± 0.3
1925 EN300-79588_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCS(=O)(=O)N −7.5 ± 0.3
1926 EN300-1588617_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5C[C@H]5C#N −7.5 ± 0.2
1927 EN300-761209_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn(c5)CCO −7.5 ± 0.2
1928 EN300-1720923_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C(C(=O)N)(F)F)O −7.5 ± 0.3
1929 EN300-1723663_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCN(C(=O)C5)CCO −7.5 ± 0.3
1930 EN300-359750_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)O5 −7.5 ± 0.2
1931 EN300-7549247_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5nnc(s5)CO −7.5 ± 0.3
1932 EN300-6734977_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC56CC(C5)OC6 −7.5 ± 0.2
1933 EN300-124964_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCS(=O)CC5 −7.5 ± 0.2
1934 EN300-395654_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H](C6(C5)COC6)CO −7.5 ± 0.3
1935 EN300-1706036_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C(=O)NCCO5 −7.5 ± 0.2
1936 EN300-6472847_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CN(C5)C(=O)N −7.5 ± 0.2
1937 EN300-52383_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)Cn5cncn5 −7.5 ± 0.3
1938 EN300-761618_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5cccnn5 −7.5 ± 0.2
1939 EN300-260603_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]c(=O)[nH]5 −7.5 ± 0.2
1940 EN300-103638_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCOC5=O −7.5 ± 0.2
1941 EN300-201346_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COC(=O)N5 −7.5 ± 0.2
1942 EN300-6474647_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CCNC6=O −7.5 ± 0.2
1943 EN300-6474647_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CCNC6=O −7.5 ± 0.2
1944 EN300-67191_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCN5CCCC5=O −7.5 ± 0.3
1945 EN300-22884_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCNC(=O)C5 −7.5 ± 0.2
1946 EN300-365993_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@H]6C5 −7.5 ± 0.3
1947 EN300-344121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC[C@@H]5O −7.5 ± 0.3
1948 EN300-69070_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)C(=O)N −7.4 ± 0.2
1949 EN300-1689158_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(n[nH]5)C(=O)N −7.4 ± 0.2
1950 EN300-266117_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)O −7.4 ± 0.2
1951 EN300-1073320_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5(CCC5)O)O −7.4 ± 0.3
1952 EN300-53423_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCOC5 −7.4 ± 0.2
1953 EN300-2007620_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](OCC5)CO −7.4 ± 0.3
1954 EN300-261365_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CS(=O)(=O)C5 −7.4 ± 0.3
1955 EN300-7413100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CCO −7.4 ± 0.2
1956 EN300-7413100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CCO −7.4 ± 0.2
1957 EN300-7493255_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](OCC56CC6)CO −7.4 ± 0.3
1958 EN300-97661_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc[nH]c(=O)c5 −7.4 ± 0.2
1959 EN300-385132_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]nc(n5)C6CCOCC6 −7.4 ± 0.3
1960 EN300-6732376_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOCC[C@H]5CO −7.4 ± 0.3
1961 EN300-206282_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)C#N −7.4 ± 0.2
1962 EN300-17045_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5[nH]ncn5 −7.4 ± 0.2
1963 EN300-97938_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)O)O −7.4 ± 0.2
1964 EN300-7549621_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5F −7.4 ± 0.2
1965 EN300-241988_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)[N@H+]6CC[C@H](C6)O −7.4 ± 0.3
1966 EN300-203853_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNS(=O)(=O)C5CC5 −7.4 ± 0.3
1967 EN300-75402_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCN(C5)C(=O)N −7.4 ± 0.2
1968 EN300-25986_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cccn5 −7.4 ± 0.2
1969 EN300-106988_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CC5)C(=O)N −7.4 ± 0.3
1970 EN300-7465104_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)(C6(CCC6)O)O −7.4 ± 0.3
1971 EN300-6504697_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CC6(CC6)S(=O)(=O)N5 −7.4 ± 0.3
1972 DAR-DIA-0d514e7d-30_1 molecule C[C@@]1(c2cc(ccc2OCC1(C)C)Cl)C(=O)Nc3cncc4c3cccc4 −7.4 ± 0.1
1973 EN300-1265946_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)C(=O)N −7.4 ± 0.2
1974 EN300-1265946_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)C(=O)N −7.4 ± 0.2
1975 EN300-254121_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](c5cnc[nH]5)O −7.4 ± 0.3
1976 EN300-6486576_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nnc(o5)N6CCOCC6 −7.4 ± 0.2
1977 EN300-103031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c([nH]n5)CCOC6 −7.4 ± 0.2
1978 EN300-212795_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CNC(=O)N −7.4 ± 0.2
1979 EN300-1273016_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6n5ncn6 −7.4 ± 0.3
1980 EN300-6486576_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nnc(o5)N6CCOCC6 −7.4 ± 0.3
1981 EN300-115011_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CCOCC5)CO −7.4 ± 0.3
1982 EN300-60514_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(cn5)S(=O)(=O)N −7.4 ± 0.3
1983 EN300-1698571_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCn5cnnn5 −7.4 ± 0.3
1984 EN300-1654606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5F −7.4 ± 0.2
1985 EN300-1654606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5F −7.4 ± 0.2
1986 EN300-22245_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccon5 −7.4 ± 0.2
1987 EN300-105482_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(COC5)CO −7.4 ± 0.2
1988 EN300-182084_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5cscn5 −7.4 ± 0.3
1989 MAK-UNK-83e0a0b4-2_1 molecule c1cc2c(cc1CN3CC[NH2+]CC3)cncc2N(CCNC4C[NH2+]C4)C(=O)[C@@H]5CCOc6c5cc(cc6)Cl −7.4 ± 0.4
1990 EN300-91609_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H]6[C@H]5C6 −7.4 ± 0.3
1991 EN300-147397_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6nccn6c5 −7.4 ± 0.3
1992 EN300-658559_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)n6ccnn6 −7.4 ± 0.3
1993 EN300-255498_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CS(=O)(=O)C6 −7.4 ± 0.2
1994 EN300-260760_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cc(=O)[nH][nH]5 −7.4 ± 0.2
1995 EN300-69070_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)C(=O)N −7.4 ± 0.2
1996 EN300-91609_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H]6[C@H]5C6 −7.4 ± 0.2
1997 EN300-383906_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)N5CCCC5 −7.4 ± 0.2
1998 EN300-317272_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@H]6CCOC6 −7.4 ± 0.2
1999 EN300-1719075_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@](C6(C5)COC6)(CO)F −7.4 ± 0.3
2000 EN300-1588617_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]5C#N −7.4 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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