Microstates

Showing 1901 through 2000 of 7698
Rank Microstate SMILES ΔG / kcal M-1
1901 EN300-304771_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −10.2 ± 0.4
1902 EN300-6734171_1_2_1 molecule C[C@]1(CCC(=O)N(C1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1903 EN300-50561_1_2_1 molecule Cc1nnc2n1C[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.2 ± 0.2
1904 EN300-253443_3_1_1 molecule CCCN1C[C@@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1905 EDG-MED-90036822-103_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(C6)C[NH3+] −10.2 ± 0.4
1906 ALF-EVA-0b412456-2_2 molecule COc1ccc2cncc(c2c1)NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC(=O)N4 −10.2 ± 0.4
1907 EN300-211779_3_1_1 molecule CC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1908 EN300-122866_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@@H]5C(=O)N −10.2 ± 0.3
1909 EN300-300217_3_2_1 molecule C/C=C/[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.2 ± 0.3
1910 EN300-1299691_1_1_1 molecule CC(C)OC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.2 ± 0.3
1911 EN300-1273019_1_1_1 molecule CCc1[nH]c(=O)c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1912 EDG-MED-90036822-15_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CO)F −10.2 ± 0.2
1913 EN300-1644723_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@@H]5COCC6 −10.2 ± 0.3
1914 EN300-210084_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCCC(=O)N5 −10.2 ± 0.3
1915 EN300-223741_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)S(=O)(=O)N −10.2 ± 0.3
1916 EN300-140582_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COCC[N@@]5CC(F)F −10.2 ± 0.3
1917 EDJ-MED-fcba3f31-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NCCO5 −10.2 ± 0.2
1918 EN300-204133_1_1_1 molecule COC1(CCOCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1919 VLA-UCB-50c39ae8-8_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl −10.2 ± 0.2
1920 JAG-UCB-706446eb-8_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)Cc5cccc(c5)C[NH3+] −10.2 ± 0.3
1921 EDG-MED-90036822-37_3 molecule C[C@@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −10.2 ± 0.2
1922 EN300-1719075_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@](C6(C5)COC6)(CO)F −10.2 ± 0.4
1923 EN300-52383_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)Cn5cncn5 −10.2 ± 0.3
1924 ED_-GRI-5b13fbe2-69_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H]5[NH3+] −10.2 ± 0.2
1925 JAG-UCB-706446eb-5_2 molecule COCCN([C@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.4
1926 EN300-66494_4_1_1 molecule CNC(=O)NCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
1927 EN300-31845_1_1_1 molecule COCCN1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1928 EN300-367383_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@]56C[C@H]5COC6 −10.2 ± 0.3
1929 EN300-1696962_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCn5cnnn5 −10.2 ± 0.3
1930 EN300-12247_1_1_1 molecule CC(C)(C)C(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
1931 ED_-GRI-5b13fbe2-61_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)[C@H]6CC[NH2+]C6 −10.2 ± 0.3
1932 KAD-UNI-8a629cb0-35_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC56CC(C6)O −10.2 ± 0.3
1933 EN300-304662_3_1_4 molecule C[C@H]1NN[C@H](O1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1934 MIC-UNK-91acba05-2_2 molecule CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1935 EN300-222120_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(c6cn[nH]n6)O −10.2 ± 0.4
1936 EN300-120436_1_1_1 molecule Cn1cnn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1937 EN300-6729572_2_8_1 molecule C[C@H]([C@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.2 ± 0.2
1938 EN300-246423_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCC5)O −10.2 ± 0.3
1939 EN300-198515_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −10.2 ± 0.3
1940 EN300-46832_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@H]5CCOC5 −10.2 ± 0.3
1941 EN300-204936_4_1_1 molecule Cn1c(cnn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1942 EN300-99983_3_1_1 molecule CNC(=O)Cc1nc(on1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.5
1943 EN300-39101_3_1_1 molecule CCOC(=O)N(C)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.4
1944 EN300-140582_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCC[N@]5CC(F)F −10.2 ± 0.3
1945 EN300-63872_3_1_1 molecule Cn1cc(cn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1946 EN300-120282_2_1_1 molecule Cn1cc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1947 ED_-GRI-5b13fbe2-60_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cc6c(n5)CC[C@@H](C6)[NH3+] −10.2 ± 0.5
1948 EN300-39005_3_1_1 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.2 ± 0.3
1949 EN300-263085_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cnnn6 −10.2 ± 0.3
1950 EN300-783124_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@H]5CCOC5)F −10.2 ± 0.2
1951 EDG-MED-90036822-49_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnc[nH]5 −10.2 ± 0.2
1952 EN300-172640_1_2_1 molecule C[C@H]1[C@@H](NC(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1953 EN300-51832_3_1_1 molecule Cc1cnn(c1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1954 EN300-110012_3_1_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −10.2 ± 0.4
1955 EN300-55744_3_2_1 molecule CCCC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.2 ± 0.5
1956 DAR-DIA-076fb6ea-5_1 molecule c1ccc2c(c1)cncc2N(C#CC#N)C(=O)Cc3cccc(c3)Cl −10.2 ± 0.4
1957 EN300-306097_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOCC5)n6cnnn6 −10.2 ± 0.3
1958 EN300-300217_2_1_1 molecule C/C=C\[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.2 ± 0.4
1959 EN300-89418_1_1_1 molecule C[C@@](CO)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.2 ± 0.3
1960 EN300-36855_3_1_2 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)c5cnccn5 −10.2 ± 0.3
1961 EDG-MED-971238d3-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO −10.2 ± 0.1
1962 DAR-DIA-23e5a6a0-4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6(CC6)C[NH2+]5)Cl −10.2 ± 0.3
1963 EN300-184446_3_1_1 molecule Cc1ccn(c(=O)c1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1964 EN300-298552_3_3_1 molecule CO[C@@H]([C@H]1CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1965 EN300-108413_1_2_1 molecule C[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.2 ± 0.2
1966 EN300-93074_1_1_1 molecule CN(C1CC(C1)O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1967 EN300-151298_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)n6ccnn6 −10.2 ± 0.2
1968 EN300-6505003_3_3_1 molecule C[C@@H]1CC[C@H](C(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1969 EN300-02015_1_1_1 molecule COCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
1970 EN300-22879_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCC[C@H]5C(=O)N −10.2 ± 0.3
1971 EN300-249764_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5CCC5)O −10.2 ± 0.3
1972 EN300-128463_1_1_1 molecule CNC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1973 EN300-220194_3_3_1 molecule C[C@@H]([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −10.2 ± 0.3
1974 EDG-MED-90036822-108_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@H](CC5CC5)O)F −10.1 ± 0.2
1975 EN300-72109_2_2_1 molecule CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.5
1976 EN300-310022_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H](CN5c6ccncn6)O −10.1 ± 0.4
1977 EN300-299806_1_1_1 molecule CO[C@@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.1 ± 0.4
1978 EN300-28340_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(=O)N5CCCC5 −10.1 ± 0.3
1979 EN300-19507_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(F)F −10.1 ± 0.3
1980 EN300-36911_3_1_1 molecule CNC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
1981 EN300-2958082_3_1_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.1 ± 0.3
1982 EN300-6486793_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCC5)S(=O)(=O)N −10.1 ± 0.4
1983 EN300-188356_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)F −10.1 ± 0.3
1984 EN300-6482296_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 −10.1 ± 0.3
1985 EN300-131093_3_1_1 molecule C[C@@H](C(=O)NCC(=O)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
1986 EN300-50009_1_1_1 molecule COC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
1987 EN300-59487_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)NC5 −10.1 ± 0.2
1988 ED_-GRI-5b13fbe2-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)C[C@@H]6C[NH2+]CCO6 −10.1 ± 0.3
1989 EN300-157502_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5OCCCO5 −10.1 ± 0.3
1990 EDG-MED-ba1ac7b9-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC#N)C5CC5 −10.1 ± 0.3
1991 EN300-127197_1_1_1 molecule COc1cc(on1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
1992 EN300-1703143_1_1_1 molecule CC(C)(C)c1nnn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
1993 EN300-248521_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)O)CO −10.1 ± 0.3
1994 EN300-31015_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCSCC(=O)N −10.1 ± 0.2
1995 EDG-MED-90036822-105_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CNC5CC5)(F)F −10.1 ± 0.3
1996 EN300-84785_2_1_1 molecule C[C@@H](CC(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
1997 EN300-84785_2_1_1 molecule C[C@@H](CC(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
1998 EDG-MED-90036822-44_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)CCF −10.1 ± 0.2
1999 EN300-72109_1_2_1 molecule CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2000 EN300-55498_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5ccc(cc5)C(=O)N −10.1 ± 0.3
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