Microstates

Showing 1801 through 1900 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1801 EN300-268198_1_2 molecule C[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.9 ± 0.3
1802 EN300-264301_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −10.8 ± 0.2
1803 EN300-373476_3_1 molecule C[C@@]1(CCCS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1804 EN300-142432_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)NC(=O)C6CC6 −10.8 ± 0.3
1805 EN300-317555_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NCCO5 −10.8 ± 0.2
1806 EN300-7494324_1_2 molecule Cc1c(nc[nH]1)C[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.8 ± 0.3
1807 EN300-77464_1_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.2
1808 EN300-114805_1_1 molecule Cn1c(ccn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1809 EN300-114805_1_1 molecule Cn1c(ccn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1810 EN300-246178_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn(c5)C[C@@H](CO)O −10.8 ± 0.5
1811 EN300-51411_1_1 molecule Cn1cc(cn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1812 EN300-11300_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(=O)[nH]c(=O)[nH]5 −10.8 ± 0.3
1813 EN300-220536_1_1 molecule CS(=O)(=O)C1(CCOCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1814 EN300-6746918_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@](C5)(F)CO)cc1 −10.8 ± 0.3
1815 EN300-217107_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H]5C(=O)N −10.8 ± 0.3
1816 EN300-80083_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCC(=O)N5 −10.8 ± 0.2
1817 EN300-305282_3_2 molecule COC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.8 ± 0.4
1818 EN300-47500_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCCn5cccn5 −10.8 ± 0.4
1819 EN300-106540_1_2 molecule C[C@H](CC(=O)OC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1820 EN300-48886_1_1 molecule CC(=O)N[C@@H]1CCCN(C1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1821 EN300-20284_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)O −10.8 ± 0.3
1822 EN300-1664603_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5ccn[nH]5 −10.8 ± 0.2
1823 EN300-51257_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.8 ± 0.2
1824 EN300-861925_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H](CO)F −10.8 ± 0.3
1825 EN300-364679_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cnnn5 −10.8 ± 0.2
1826 EN300-1608590_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nc(on5)N6CCOCC6 −10.8 ± 0.4
1827 EN300-36522_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CC5 −10.8 ± 0.3
1828 EN300-393341_1_1 molecule COc1cc(nc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.8 ± 0.3
1829 EN300-64536_1_1 molecule COCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1830 EN300-256174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 −10.8 ± 0.4
1831 EN300-7355519_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 −10.8 ± 0.3
1832 EN300-6499531_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCCS5(=O)=O −10.8 ± 0.3
1833 EN300-123205_3_1 molecule CNS(=O)(=O)CCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1834 EN300-36495_2_1 molecule CCOC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1835 EN300-650518_3_1 molecule CO[C@@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1836 EN300-246992_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCC(=O)NC5 −10.8 ± 0.3
1837 EN300-1706036_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C(=O)NCCO5 −10.8 ± 0.3
1838 EN300-62448_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CCC5 −10.8 ± 0.3
1839 EN300-6729572_1_2 molecule C[C@H]([C@@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.8 ± 0.3
1840 EN300-1272865_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@]6(CC[C@]6(C5)CO)CO −10.8 ± 0.3
1841 EN300-180875_1_1 molecule CN(C)C(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1842 EN300-11441_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(=O)[nH]c(=O)[nH]5 −10.8 ± 0.3
1843 EN300-223491_3_1 molecule Cn1cnn(c1=O)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1844 EN300-365398_1_1 molecule Cn1c(nnn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1845 EN300-6745453_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6nncn6C5 −10.8 ± 0.3
1846 EN300-1653482_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(nnn6)C5 −10.8 ± 0.3
1847 EN300-76841_3_1 molecule C[C@@](COC)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.5
1848 EN300-98099_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cs5)S(=O)(=O)N −10.8 ± 0.3
1849 EN300-306316_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5[nH]cnn5 −10.8 ± 0.2
1850 EN300-120820_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cn[nH]c5=O −10.8 ± 0.3
1851 EN300-125769_3_1 molecule COCCCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1852 EN300-198540_3_2 molecule Cn1cc(cn1)[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.8 ± 0.4
1853 EN300-1968342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CF)O −10.8 ± 0.4
1854 EN300-1968342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CF)O −10.8 ± 0.4
1855 EN300-263153_3_1 molecule Cn1cc(nn1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1856 EN300-139167_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −10.8 ± 0.2
1857 EN300-139167_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −10.8 ± 0.2
1858 EN300-139167_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −10.8 ± 0.2
1859 EN300-252683_1_1 molecule CO[C@@H]1COC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1860 EN300-196140_1_2 molecule C[C@]1(CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)NC −10.8 ± 0.3
1861 EN300-1709410_1_2 molecule C[C@H]1C[C@@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.8 ± 0.3
1862 EN300-246248_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCNC5=O −10.8 ± 0.3
1863 EN300-325738_3_1 molecule CN1[C@@H](CCCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1864 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 −10.8 ± 0.3
1865 EN300-202757_1_2 molecule C[C@H](CC(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1866 EN300-2958082_1_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.8 ± 0.3
1867 EN300-315792_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COCC(F)F −10.8 ± 0.3
1868 EN300-05512_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N[C@@H]5CCS(=O)(=O)C5 −10.8 ± 0.4
1869 EN300-7385389_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C(F)(F)F −10.8 ± 0.3
1870 EN300-6486855_1_1 molecule Cn1c(cnn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1871 EN300-6486855_1_1 molecule Cn1c(cnn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1872 EN300-205047_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(c[nH]5)S(=O)(=O)CC6 −10.8 ± 0.3
1873 EN300-132613_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(scn5)S(=O)(=O)N −10.8 ± 0.2
1874 EN300-1587757_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCNS5(=O)=O −10.8 ± 0.3
1875 EN300-40153_1_1 molecule CN(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1876 EN300-1588617_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5C#N −10.8 ± 0.2
1877 DAR-DIA-0d514e7d-28_1 molecule C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −10.81 ± 0.10
1878 EN300-3710141_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)C#N −10.8 ± 0.3
1879 EN300-332838_1_1 molecule CN1[C@@H](COC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1880 EN300-191495_1_1 molecule CS(=O)(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1881 EN300-7540875_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6ncnn6c5 −10.8 ± 0.2
1882 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −10.8 ± 0.3
1883 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −10.8 ± 0.3
1884 EN300-1789253_2_1 molecule Cn1cc(nn1)c2cc(no2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.2
1885 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −10.8 ± 0.2
1886 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −10.8 ± 0.2
1887 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −10.8 ± 0.2
1888 EN300-7423123_1_1 molecule Cc1nc(n(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.8 ± 0.3
1889 DAR-DIA-5ff57136-9_1 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.8 ± 0.3
1890 EN300-342226_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnc[nH]5 −10.8 ± 0.3
1891 EN300-144970_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −10.8 ± 0.3
1892 EN300-144970_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −10.8 ± 0.3
1893 EN300-263392_2_1 molecule CS(=O)(=O)Cc1nc(co1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1894 EN300-6494158_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@@H](CO5)CO −10.8 ± 0.4
1895 EN300-1425677_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCO5)CO −10.8 ± 0.4
1896 EN300-30687_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc(c5)OCC(=O)N −10.8 ± 0.3
1897 EN300-6764836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC6[C@@H]([C@@H](C5O6)O)O −10.8 ± 0.4
1898 EN300-1988306_3_1 molecule CS(=O)(=O)CCC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.4
1899 EN300-46832_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@@H]5CCOC5 −10.8 ± 0.3
1900 EN300-1718836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5nnc6n5CCOC6 −10.8 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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