Microstates

Showing 1801 through 1900 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1801 EN300-155176_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS5(=O)=O −7.6 ± 0.4
1802 EN300-1644723_3_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 −7.6 ± 0.2
1803 EN300-249245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C(F)F)O −7.6 ± 0.3
1804 EN300-59487_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)NC5 −7.6 ± 0.2
1805 EN300-44873_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[N@]5CCCS5(=O)=O −7.6 ± 0.4
1806 EN300-317082_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5COC5 −7.6 ± 0.2
1807 EN300-22245_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccon5 −7.6 ± 0.2
1808 EN300-10895_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCC#N −7.6 ± 0.3
1809 EN300-1600613_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC(CO)CO −7.6 ± 0.3
1810 EN300-196962_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@@H]5CO −7.6 ± 0.3
1811 EN300-66800_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccc(cc5)O −7.6 ± 0.3
1812 EN300-370753_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@H](C5)C(=O)N −7.6 ± 0.3
1813 EN300-36096_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCNC5=O −7.6 ± 0.3
1814 EN300-259251_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(c(cn6)CO)C5 −7.6 ± 0.2
1815 EN300-10895_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NCCC#N −7.6 ± 0.3
1816 DAR-DIA-23e5a6a0-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)CC6)Cl −7.6 ± 0.3
1817 JOH-SUS-a69c159d-2_1 molecule c1ccc2c(c1)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.55 ± 0.08
1818 EN300-82179_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC(=O)N −7.6 ± 0.2
1819 EN300-312450_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(n5)N6CCOCC6 −7.5 ± 0.2
1820 EN300-1215738_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@@H]5CCC(=O)NC5 −7.5 ± 0.3
1821 EN300-368758_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@H]6CCCO6 −7.5 ± 0.2
1822 EN300-146491_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCC(=O)N5 −7.5 ± 0.3
1823 MAK-UNK-8be7dca9-5_2 molecule c1cc2c(cc1C[NH3+])cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.5 ± 0.2
1824 EN300-396748_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnc(c5)CO −7.5 ± 0.3
1825 EN300-1179673_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cccc(c5)C(=O)N −7.5 ± 0.3
1826 EN300-6503811_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](Cc5cnc[nH]5)O −7.5 ± 0.3
1827 EN300-7456317_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H](C56CCOCC6)O)O −7.5 ± 0.4
1828 EN300-6737762_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCCNC5=O −7.5 ± 0.2
1829 EN300-1081929_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CCS(=O)(=O)C[C@H]6C5 −7.5 ± 0.3
1830 EN300-1087187_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CCC(=O)N[C@H]6C5 −7.5 ± 0.3
1831 EN300-62192_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CC(=O)NC(=O)C5 −7.5 ± 0.2
1832 EN300-122340_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCSCC5)O −7.5 ± 0.3
1833 EN300-862094_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5C(=O)N −7.5 ± 0.2
1834 EN300-1700760_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CC6(C5)CC(=O)N6 −7.5 ± 0.2
1835 EN300-114134_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC[N@]5CCCS5(=O)=O −7.5 ± 0.3
1836 EN300-1588753_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(c6cn[nH]n6)O −7.5 ± 0.3
1837 EN300-7355477_1_10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]([C@@H](C[C@H]6C5)O)O −7.5 ± 0.2
1838 EN300-7439043_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cc([nH]n5)CO −7.5 ± 0.2
1839 EN300-6472573_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NC6(C5)CC6 −7.5 ± 0.2
1840 EN300-84186_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC(CO)CO −7.5 ± 0.3
1841 EDJ-MED-e4b030d8-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl −7.5 ± 0.2
1842 EN300-88656_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCS5(=O)=O −7.5 ± 0.2
1843 EN300-62448_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CCC5 −7.5 ± 0.3
1844 EN300-6479181_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@@H]6N5C(=O)CC6 −7.5 ± 0.3
1845 EN300-227055_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CC(=O)NC5=O −7.5 ± 0.3
1846 EN300-7355835_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(c(cn6)O)C5 −7.5 ± 0.3
1847 EN300-331993_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)Nc5[nH]ccn5 −7.5 ± 0.2
1848 EN300-260696_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@H]([C@H]5n6cccn6)O −7.5 ± 0.3
1849 EN300-222620_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(cnc5)O −7.5 ± 0.3
1850 EN300-195756_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCC(=O)N5 −7.5 ± 0.2
1851 EN300-1425677_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCO5)CO −7.5 ± 0.4
1852 EN300-217107_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H]5C(=O)N −7.5 ± 0.2
1853 EN300-378044_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC=CCO5 −7.5 ± 0.2
1854 DAR-DIA-0d514e7d-15_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(ccc5F)F −7.5 ± 0.2
1855 EN300-170985_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5OCCCO5 −7.5 ± 0.2
1856 EN300-72896_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5 −7.5 ± 0.2
1857 EN300-6482296_3_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@H]6[C@H]5COC6 −7.5 ± 0.2
1858 EN300-7448078_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)[C@H](C[C@@H]6O)O −7.5 ± 0.3
1859 EN300-7427921_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)n6cnnc6 −7.5 ± 0.2
1860 EN300-10397_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CNC(=O)N −7.5 ± 0.2
1861 EN300-2011083_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCC(=O)OCC5 −7.5 ± 0.2
1862 EN300-309106_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn6cnnc6cn5 −7.5 ± 0.2
1863 EN300-120586_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(F)F −7.5 ± 0.2
1864 EN300-45049_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCS(=O)(=O)N5 −7.5 ± 0.2
1865 EN300-94945_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCNC5=O −7.5 ± 0.2
1866 EN300-109535_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CC(=O)OC5 −7.5 ± 0.2
1867 EN300-27314_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC(=O)N5CCOCC5 −7.5 ± 0.4
1868 EN300-731622_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5COCCO5 −7.5 ± 0.2
1869 EN300-250836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5c[nH]nc5 −7.5 ± 0.3
1870 EN300-6482801_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)C6(CC6)O −7.5 ± 0.3
1871 EN300-7438451_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCn6c(nnn6)C5 −7.5 ± 0.3
1872 DAR-DIA-0d514e7d-1_1 molecule C[C@H]1COc2c(cc(cc2OC)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.1
1873 EN300-257315_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCn5cnnc5 −7.5 ± 0.2
1874 EN300-104592_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC[C@@H]5CCC(=O)N5 −7.5 ± 0.3
1875 EN300-189672_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(=O)[nH]c5 −7.5 ± 0.3
1876 EN300-249093_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CC(=O)N −7.5 ± 0.4
1877 EN300-7547467_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCN(C5=O)c6ccn[nH]6 −7.5 ± 0.2
1878 EN300-301925_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCOC5)C#N −7.5 ± 0.2
1879 EN300-37195_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N[C@@H]5CCCCNC5=O −7.5 ± 0.3
1880 EN300-7355519_3_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@@H]6[C@H](O5)CCO6 −7.5 ± 0.3
1881 EN300-1081929_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6CCS(=O)(=O)C[C@@H]6C5 −7.5 ± 0.3
1882 EN300-1932013_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](CC(F)(F)F)O −7.5 ± 0.3
1883 EN300-72211_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](C5CC5)O −7.5 ± 0.2
1884 EN300-52009_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)O −7.5 ± 0.2
1885 EN300-101505_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)N5 −7.5 ± 0.2
1886 EN300-189563_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCC5CS(=O)(=O)C5 −7.5 ± 0.3
1887 EN300-1644723_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5[C@H]6[C@@H]5COCC6 −7.5 ± 0.2
1888 EN300-781107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)O −7.5 ± 0.3
1889 ALP-UNI-44c99a80-2_1 molecule c1ccc2c(c1)cncc2N(Cc3cnc[nH]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −7.5 ± 0.2
1890 EN300-251571_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(C(=O)C5)CC(=O)N −7.5 ± 0.3
1891 EN300-1448603_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)C5 −7.5 ± 0.3
1892 EN300-1448603_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)C5 −7.5 ± 0.3
1893 EN300-07752_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H](C[C@@H]5C(=O)N)O −7.5 ± 0.3
1894 EN300-1697480_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6c(cnn6c5)C#N −7.5 ± 0.3
1895 EN300-332453_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@H](c5cccnc5)O −7.5 ± 0.4
1896 EN300-04614_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)[nH]n5 −7.5 ± 0.2
1897 VLA-UCB-50c39ae8-1_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.5 ± 0.2
1898 DAR-DIA-23e5a6a0-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6(CC6)C[NH2+]5)Cl −7.5 ± 0.4
1899 EN300-210089_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@@H]5COC6 −7.5 ± 0.2
1900 EN300-52380_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CC(=O)N −7.5 ± 0.3
Last updated 2020-12-08T20:22:29.488528+00:00
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