Microstates

Showing 1701 through 1800 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1701 EN300-741926_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)F)O −7.6 ± 0.2
1702 EN300-170985_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5OCCCO5 −7.6 ± 0.2
1703 VLA-UCB-50c39ae8-6_1 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.6 ± 0.2
1704 EN300-75342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnc5 −7.6 ± 0.2
1705 EN300-75342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnc5 −7.6 ± 0.2
1706 EN300-21258_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCO −7.6 ± 0.2
1707 EN300-259849_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@H](C5=O)O −7.6 ± 0.3
1708 EN300-6482296_3_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CO[C@H]6[C@H]5COC6 −7.6 ± 0.2
1709 EN300-227055_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CC(=O)NC5=O −7.6 ± 0.2
1710 EN300-141254_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@@H]5c6n[n-]nn6 −7.6 ± 0.3
1711 EN300-210933_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCN(C5)C(=O)N −7.6 ± 0.3
1712 EN300-42819_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)NC5 −7.6 ± 0.3
1713 EN300-6739414_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6ccnn6C[C@H](C5)CO −7.6 ± 0.2
1714 EN300-2007627_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H](C5)CO)CO −7.6 ± 0.3
1715 EN300-220527_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5[nH]ccn5 −7.6 ± 0.2
1716 EN300-247468_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC56COC6 −7.6 ± 0.3
1717 EN300-749499_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5(CCOCC5)O)O −7.6 ± 0.3
1718 EN300-341337_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCO[C@H]5CCOC6 −7.6 ± 0.3
1719 EN300-3710141_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCO5)C#N −7.6 ± 0.2
1720 EN300-28340_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(=O)N5CCCC5 −7.6 ± 0.4
1721 DAR-DIA-0d514e7d-19_1 molecule C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −7.6 ± 0.2
1722 EN300-246248_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCNC5=O −7.6 ± 0.2
1723 EN300-7183657_3_1 molecule C[C@]1(C[C@@H](C1)C(=O)NCC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)O −7.6 ± 0.2
1724 EN300-226314_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5CCS(=O)(=O)C5 −7.6 ± 0.3
1725 EN300-2969289_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@]5(CCCOC5)CO −7.6 ± 0.4
1726 EN300-1911992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]([C@@H]5CCOC5)O −7.6 ± 0.3
1727 EN300-306316_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]ncn5 −7.6 ± 0.2
1728 EN300-120255_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@]5(CCCOC5)C(=O)N −7.6 ± 0.3
1729 EN300-1717166_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC56CC(C6)O −7.6 ± 0.2
1730 EN300-1608590_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nc(on5)N6CCOCC6 −7.6 ± 0.2
1731 EN300-07127_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5C(=O)N −7.6 ± 0.2
1732 EN300-07127_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5C(=O)N −7.6 ± 0.2
1733 EN300-156995_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCc5cn[nH]n5 −7.6 ± 0.3
1734 EN300-113633_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC(=O)NC5=O −7.6 ± 0.2
1735 EN300-115421_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5c(cccn5)O −7.6 ± 0.3
1736 EN300-22879_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCC[C@H]5C(=O)N −7.6 ± 0.3
1737 EN300-36089_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccncc5 −7.6 ± 0.2
1738 EN300-35843_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5[nH]c(=O)[nH]n5 −7.6 ± 0.2
1739 EN300-1666341_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c(cn[nH]6)[C@H]5CO −7.6 ± 0.3
1740 EN300-7438451_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCn6c(nnn6)C5 −7.6 ± 0.2
1741 EN300-178515_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCC(=O)N −7.6 ± 0.3
1742 EN300-1932780_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C(F)F)O −7.6 ± 0.3
1743 EN300-6255179_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −7.6 ± 0.2
1744 EN300-6255179_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −7.6 ± 0.2
1745 EN300-305294_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]([C@H]6C5)O −7.6 ± 0.2
1746 EN300-1074262_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccn6c5cnn6 −7.6 ± 0.2
1747 EN300-1692359_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@]5(CC[C@H]5CO)CO −7.6 ± 0.3
1748 EN300-102347_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5(COC5)CO −7.6 ± 0.2
1749 EN300-266565_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)C(=O)N −7.6 ± 0.2
1750 EN300-7355519_3_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5C[C@H]6[C@H](O5)CCO6 −7.6 ± 0.3
1751 EN300-7355477_1_2 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 −7.6 ± 0.3
1752 EN300-36931_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CCOCC5)C(=O)N −7.6 ± 0.3
1753 EN300-7356782_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)C[C@H]5C(=O)N −7.6 ± 0.3
1754 EN300-210084_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCC(=O)N5 −7.6 ± 0.3
1755 EN300-246248_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCNC5=O −7.6 ± 0.2
1756 EN300-366857_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccn6c5ncn6 −7.6 ± 0.3
1757 EN300-22879_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCC[C@@H]5C(=O)N −7.6 ± 0.3
1758 EN300-102007_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CCO −7.6 ± 0.2
1759 EN300-238405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CC(=O)NC5 −7.6 ± 0.2
1760 EN300-141809_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CCS(=O)(=O)CC6 −7.6 ± 0.3
1761 ALP-POS-d3acb8cc-4_1 molecule C[C@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −7.60 ± 0.09
1762 EN300-7431620_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CC6(CC6)S(=O)(=O)N5 −7.6 ± 0.3
1763 EN300-6763470_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](C(=O)N)C(F)(F)F −7.6 ± 0.2
1764 FRA-DIA-b66f7109-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)O[C@@H]5CC(=O)N5 −7.6 ± 0.2
1765 EN300-155176_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCS5(=O)=O −7.6 ± 0.3
1766 EN300-246248_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CCNC5=O −7.6 ± 0.3
1767 EN300-861925_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H](CO)F −7.6 ± 0.2
1768 EN300-215968_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6CCOCC6 −7.6 ± 0.2
1769 ALP-POS-477dc5b7-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CC5 −7.6 ± 0.2
1770 EN300-6763045_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCCNC6=O −7.6 ± 0.3
1771 EN300-7444121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H](C56CCC6)O)O −7.6 ± 0.3
1772 EN300-101443_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(COC5)O −7.6 ± 0.2
1773 EN300-254121_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](c5cnc[nH]5)O −7.6 ± 0.3
1774 EN300-25960_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCC5)O −7.6 ± 0.3
1775 EN300-219330_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOCC5=O −7.6 ± 0.3
1776 EN300-368758_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@@H]6CCCO6 −7.6 ± 0.3
1777 EN300-1716880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)Cc6cn[nH]n6 −7.6 ± 0.3
1778 EN300-210907_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCS(=O)(=O)CC5)O −7.6 ± 0.3
1779 EN300-250593_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CC(=O)N5 −7.6 ± 0.3
1780 EN300-19507_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(F)F −7.6 ± 0.2
1781 EN300-269453_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6nnnn6C5 −7.6 ± 0.3
1782 EN300-6482296_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 −7.6 ± 0.3
1783 EN300-78368_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)NC(=O)N −7.6 ± 0.3
1784 EN300-20496_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCOC5=O −7.6 ± 0.2
1785 EN300-50488_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)OCC(F)(F)F −7.6 ± 0.3
1786 EN300-1699871_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCS(=O)(=O)N5 −7.6 ± 0.3
1787 EN300-7493255_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H](OCC56CC6)CO −7.6 ± 0.4
1788 EN300-102007_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CCO −7.6 ± 0.2
1789 EN300-133915_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5csc(=O)[nH]5 −7.6 ± 0.2
1790 EN300-862094_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]5C(=O)N −7.6 ± 0.2
1791 EN300-7430372_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CNC(=O)CO6 −7.6 ± 0.2
1792 EN300-123489_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(CO)(F)F −7.6 ± 0.3
1793 EN300-1387104_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCS5(=O)=O −7.6 ± 0.3
1794 EN300-379533_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)O −7.6 ± 0.2
1795 EN300-379533_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)O −7.6 ± 0.2
1796 EN300-191904_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCn5cnnn5 −7.6 ± 0.3
1797 EN300-6494606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −7.6 ± 0.2
1798 EN300-1723663_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCN(C(=O)C5)CCO −7.6 ± 0.3
1799 EN300-821316_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CC(=O)NC[C@H]6O −7.6 ± 0.3
1800 EN300-3044054_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5C6CC6 −7.6 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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