Microstates

Showing 1701 through 1800 of 7698
Rank Microstate SMILES ΔG / kcal M-1
1701 EN300-307084_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]5C[C@@H]6O −10.3 ± 0.3
1702 EN300-206592_1_2_1 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −10.3 ± 0.4
1703 EN300-67073_3_1_1 molecule CC(=O)N[C@@](C)(C1CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
1704 EN300-05512_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N[C@@H]5CCS(=O)(=O)C5 −10.3 ± 0.4
1705 EN300-100916_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5nccn5 −10.3 ± 0.3
1706 JAG-UCB-706446eb-4_1 molecule CCOC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1707 EN300-6493972_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56C[C@H]5[C@@H](C6)O −10.3 ± 0.2
1708 EN300-1608590_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nc(on5)N6CCOCC6 −10.3 ± 0.3
1709 ED_-GRI-5b13fbe2-35_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5c(c(cn5)C6=CC[NH2+]CC6)N −10.3 ± 0.3
1710 EN300-141628_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)S(=O)(=O)N −10.3 ± 0.4
1711 EN300-184446_1_1_1 molecule Cc1ccn(c(=O)c1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1712 EDJ-MED-d203f206-38_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −10.3 ± 0.4
1713 EN300-7461023_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)N(=O)=O −10.3 ± 0.3
1714 EN300-50631_1_1_1 molecule CN(C)S(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1715 EN300-7102031_3_1_1 molecule COCC(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC −10.3 ± 0.5
1716 EN300-120569_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCCC#N −10.3 ± 0.3
1717 EN300-7385329_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6[nH]cc[n+]6C5 −10.3 ± 0.3
1718 MIC-UNK-50cce87d-8_1 molecule COc1cccc2c1c(cnc2)N3CC[C@@H](C3=O)c4cccc(c4)Cl −10.3 ± 0.2
1719 EN300-217107_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@@H]5C(=O)N −10.3 ± 0.3
1720 EN300-310022_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H](CN5c6ccncn6)O −10.3 ± 0.3
1721 ALP-POS-2da19ca7-7_8 molecule C[C@H]1C[N@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.3 ± 0.4
1722 EN300-05620_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCNC(=O)N −10.3 ± 0.4
1723 EN300-6764836_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]6[C@@H]([C@@H]([C@@H]5O6)O)O −10.3 ± 0.3
1724 EN300-84785_2_2_1 molecule C[C@H](CC(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1725 EN300-42195_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)CNC(=O)N −10.3 ± 0.3
1726 EN300-304662_3_1_2 molecule C[C@H]1NN[C@@H](O1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1727 EN300-59478_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCC(=O)N −10.3 ± 0.3
1728 EN300-393334_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)CC(=O)N −10.3 ± 0.4
1729 EN300-87528_3_1_1 molecule CC(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.3 ± 0.3
1730 EN300-207959_3_1_1 molecule C[C@@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1731 EN300-21303_3_1_1 molecule CCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1732 EN300-266023_2_1_1 molecule Cn1cc(nn1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1733 EN300-157776_1_1_1 molecule C[C@@H]1CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1734 DAR-DIA-9e4459de-15_5 molecule c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O −10.3 ± 0.3
1735 EDG-MED-90036822-78_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H](C5CC5)O)F −10.3 ± 0.2
1736 EN300-332606_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)O5 −10.3 ± 0.2
1737 EN300-657320_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CSCC(=O)N5 −10.3 ± 0.3
1738 EN300-20284_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)O −10.3 ± 0.3
1739 EN300-7430165_1_1_1 molecule CS(=O)(=O)CC1CC(C1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1740 JAG-UCB-706446eb-2_1 molecule CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1741 EDJ-MED-fcba3f31-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CO)F −10.3 ± 0.3
1742 EN300-39405_3_2_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −10.3 ± 0.4
1743 EN300-182725_1_1_1 molecule C[C@@H]([C@@H](C)S(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1744 EN300-19392_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO −10.3 ± 0.3
1745 PET-UNK-29afea89-1_1 molecule C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.1
1746 EN300-214800_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCNC5=O −10.3 ± 0.2
1747 EN300-119126_1_1_1 molecule Cc1[nH]nc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
1748 EN300-310022_1_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H](CN5c6ccncn6)O −10.3 ± 0.4
1749 EN300-301690_3_2_1 molecule CS(=O)(=O)[N@@]1CC[C@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1750 EDG-MED-90036822-53_2 molecule CCn1cc(nc1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −10.3 ± 0.2
1751 EN300-14767_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCN(C5)C(=O)N −10.3 ± 0.3
1752 EN300-11714_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccccc5=O −10.3 ± 0.3
1753 EN300-2923949_1_1_1 molecule c1ccc(cc1)[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)O −10.3 ± 0.3
1754 EN300-248888_3_1_1 molecule C[C@@](C=C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
1755 EN300-298552_1_3_1 molecule CO[C@@H]([C@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1756 EN300-124457_1_1_1 molecule C[NH+](C)Cc1cc(no1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1757 LAU-MED-88a3970a-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCCCO)Cl −10.3 ± 0.2
1758 EN300-202106_2_1_1 molecule Cn1c2c(c(ccn2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 −10.3 ± 0.3
1759 EN300-53395_1_1_1 molecule CCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1760 EN300-120586_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(F)F −10.3 ± 0.3
1761 EN300-36911_1_1_1 molecule CNC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1762 EN300-6482296_3_7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@H]6[C@H]5COC6 −10.3 ± 0.3
1763 EN300-23129_3_1_1 molecule CC(=O)NCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1764 EN300-104592_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CCC(=O)N5 −10.3 ± 0.3
1765 EN300-2010317_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]5[C@@H](C6)O −10.3 ± 0.3
1766 EN300-68747_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)C(=O)N −10.3 ± 0.4
1767 EDG-MED-ba1ac7b9-15_5 molecule C[C@@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.3 ± 0.4
1768 EN300-6729747_3_2_1 molecule Cc1nnc2n1C[C@H](C2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.3 ± 0.3
1769 EN300-6505003_1_4_1 molecule C[C@H]1CC[C@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1770 EN300-74089_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCOCC5)C#N −10.3 ± 0.3
1771 EN300-105110_1_1_1 molecule Cc1cc(n[nH]1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
1772 EN300-1073320_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5(CCC5)O)O −10.3 ± 0.3
1773 EN300-113218_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@@H]5CCOC5=O −10.3 ± 0.3
1774 EN300-85760_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCO5 −10.3 ± 0.2
1775 EN300-686903_1_1_1 molecule CCCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1776 EN300-11195_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC5 −10.3 ± 0.2
1777 EN300-1440321_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)S(=O)(=O)N −10.3 ± 0.4
1778 EN300-170463_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC5 −10.3 ± 0.3
1779 EN300-100765_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CNC6=O −10.3 ± 0.3
1780 EN300-101505_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 −10.3 ± 0.2
1781 EN300-7433125_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56C[C@@H]5[C@@H](C6)O −10.3 ± 0.2
1782 EN300-1932013_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](CC(F)(F)F)O −10.3 ± 0.4
1783 EN300-204419_1_1_1 molecule C[C@@H](CO)N(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1784 EN300-25866_1_1_1 molecule Cc1c(cnn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1785 EN300-360157_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@]5(CCOC5)O −10.2 ± 0.3
1786 EN300-2910941_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)C(F)(F)F −10.2 ± 0.2
1787 EN300-31969_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)N(C5)CC6CC6 −10.2 ± 0.3
1788 EDG-MED-ba1ac7b9-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CC5 −10.2 ± 0.3
1789 EN300-149975_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)CO −10.2 ± 0.4
1790 EN300-31998_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn[nH]n5 −10.2 ± 0.3
1791 EN300-248883_1_1_1 molecule COC[C@@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1792 EN300-222357_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5cn[nH]n5 −10.2 ± 0.2
1793 EN300-51257_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.2 ± 0.2
1794 EN300-6482296_1_7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@H]6[C@H]5COC6 −10.2 ± 0.3
1795 EN300-90142_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC[C@@H](C5)C(=O)N −10.2 ± 0.3
1796 RAL-THA-05e671eb-20_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C#N)Cl −10.25 ± 0.10
1797 EN300-7423123_1_1_1 molecule Cc1nc(n(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.2 ± 0.3
1798 EN300-69107_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −10.2 ± 0.3
1799 EN300-69107_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −10.2 ± 0.3
1800 EN300-1717166_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC56CC(C6)O −10.2 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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