Microstates

Showing 1601 through 1700 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1601 EN300-6482296_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 −7.7 ± 0.3
1602 EN300-7432415_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C6(CCC6)OC(=O)N5 −7.7 ± 0.2
1603 EN300-18928_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CSCN5C(=O)C6CC6 −7.7 ± 0.2
1604 DAR-DIA-0d514e7d-24_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)CC(C)C −7.7 ± 0.2
1605 EN300-219330_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCN5CCOCC5=O −7.7 ± 0.3
1606 EN300-222120_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(c6cn[nH]n6)O −7.7 ± 0.3
1607 EN300-861925_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H](CO)F −7.7 ± 0.2
1608 EN300-1600363_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@@H]5C#N −7.7 ± 0.2
1609 EN300-7470991_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H](C[C@H]5CO)CO −7.7 ± 0.3
1610 EN300-43939_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)CC(F)(F)F −7.7 ± 0.3
1611 EN300-7457160_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NO[C@H](C5)CC6(COC6)O −7.7 ± 0.3
1612 EN300-33513_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CSCC(=O)N −7.7 ± 0.2
1613 EN300-27261_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)n6cncn6 −7.7 ± 0.2
1614 EN300-234362_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)n6cc(nn6)CO −7.7 ± 0.3
1615 EN300-95639_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)O)CO −7.7 ± 0.2
1616 EN300-14767_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCN(C5)C(=O)N −7.7 ± 0.3
1617 EN300-67191_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCN5CCCC5=O −7.7 ± 0.3
1618 EN300-1699871_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)N5 −7.7 ± 0.3
1619 EN300-1248250_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CN(C5)C(=O)N −7.7 ± 0.2
1620 EN300-211422_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC5 −7.7 ± 0.2
1621 EN300-92031_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5nc(no5)c6[nH]ncn6 −7.7 ± 0.2
1622 EN300-148421_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)O −7.7 ± 0.3
1623 EN300-14437_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCS(=O)(=O)C5 −7.7 ± 0.3
1624 EN300-5253939_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)O5 −7.7 ± 0.3
1625 EN300-31969_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N(C5)CC6CC6 −7.7 ± 0.3
1626 EN300-7456499_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)CCCO −7.7 ± 0.3
1627 EN300-10397_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)N −7.7 ± 0.2
1628 EN300-1071014_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC(=O)C56CCOCC6 −7.7 ± 0.3
1629 EN300-154191_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CCOCC5 −7.7 ± 0.3
1630 EN300-13499_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCCNC(=O)N −7.7 ± 0.4
1631 EN300-305294_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]([C@@H]6C5)O −7.7 ± 0.2
1632 EN300-1723663_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCN(C(=O)C5)CCO −7.7 ± 0.3
1633 EN300-258081_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)OCCO −7.7 ± 0.2
1634 EN300-214800_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCNC5=O −7.7 ± 0.3
1635 EN300-55087_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O −7.7 ± 0.3
1636 EN300-55087_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O −7.7 ± 0.3
1637 EN300-42269_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnns5 −7.7 ± 0.2
1638 EN300-7537340_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@]5(CCC(=O)NC5=O)CO −7.7 ± 0.3
1639 EN300-1600517_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CO)F −7.7 ± 0.2
1640 EN300-98802_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)OCC(=O)N −7.7 ± 0.2
1641 EN300-316216_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cncn5 −7.7 ± 0.2
1642 EN300-316216_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cncn5 −7.7 ± 0.2
1643 EN300-1073320_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5(CCC5)O)O −7.7 ± 0.3
1644 EN300-20496_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCOC5=O −7.7 ± 0.2
1645 EN300-6478054_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H](C5)CO −7.7 ± 0.3
1646 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −7.7 ± 0.3
1647 EN300-370967_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −7.7 ± 0.3
1648 EN300-6733137_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CC5)n6cncn6 −7.7 ± 0.3
1649 EN300-42591_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)NC5CC5 −7.7 ± 0.3
1650 EN300-259060_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CC(=O)N)O −7.7 ± 0.3
1651 EN300-195590_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCCNC(=O)C5 −7.7 ± 0.3
1652 EN300-12440_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)N(C5)C6CC6 −7.7 ± 0.3
1653 EN300-249764_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCC5)O −7.7 ± 0.3
1654 EN300-332002_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6n5c(=O)ccc6 −7.7 ± 0.3
1655 EN300-246178_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5)C[C@H](CO)O −7.7 ± 0.3
1656 BEN-BAS-5c03e89e-1_2 molecule CC(C)([C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O −7.7 ± 0.1
1657 EN300-114134_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC[N@@]5CCCS5(=O)=O −7.7 ± 0.3
1658 EN300-7353672_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@@H](CC5)O)CO −7.7 ± 0.3
1659 EN300-6479273_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cc(=O)n6c5COCC6)[O-] −7.7 ± 0.3
1660 EN300-1600517_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CO)F −7.7 ± 0.2
1661 EN300-378373_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC5CC5 −7.7 ± 0.2
1662 EN300-7459768_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CC(C5)(C6(CCC6)O)O −7.7 ± 0.3
1663 EN300-152756_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H]5CO)O −7.7 ± 0.3
1664 EN300-14949_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)OCC(=O)N −7.7 ± 0.3
1665 EN300-83864_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)S(=O)(=O)N −7.7 ± 0.2
1666 EN300-16216_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(=O)N −7.7 ± 0.2
1667 EN300-98802_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)OCC(=O)N −7.7 ± 0.2
1668 EN300-22880_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC[C@@H](C5)C(=O)N −7.7 ± 0.3
1669 EN300-317082_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC5COC5 −7.7 ± 0.1
1670 EN300-6238494_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@@H]5COCCO5 −7.7 ± 0.3
1671 VLA-UCB-05e51b3f-12_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl)CCC6CCCCC6 −7.7 ± 0.3
1672 EN300-3044054_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5C6CC6 −7.7 ± 0.2
1673 EN300-1387104_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCS5(=O)=O −7.7 ± 0.3
1674 EN300-257405_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CC#N)O −7.7 ± 0.2
1675 EN300-306144_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)(CO)CO −7.7 ± 0.2
1676 EN300-210256_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)CNC(=O)N −7.7 ± 0.3
1677 EN300-241988_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)[N@H+]6CC[C@@H](C6)O −7.7 ± 0.4
1678 EN300-1644723_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@@H]6[C@@H]5COCC6 −7.7 ± 0.2
1679 EN300-1715993_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5ccnn5 −7.7 ± 0.2
1680 EN300-1932013_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CC(F)(F)F)O −7.7 ± 0.3
1681 EN300-257949_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H]5O −7.7 ± 0.2
1682 EN300-120920_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCC(=O)NC5=O −7.7 ± 0.2
1683 EN300-716207_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C(CO)(F)F −7.7 ± 0.2
1684 EN300-266183_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5CS(=O)(=O)C5 −7.7 ± 0.3
1685 EN300-100741_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5[nH]ncn5 −7.7 ± 0.2
1686 EN300-233951_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H](C5)O −7.7 ± 0.3
1687 EN300-233951_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H](C5)O −7.7 ± 0.3
1688 EN300-6238494_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@@H]5COCCO5 −7.7 ± 0.3
1689 EN300-318110_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)[C@@H](C(=O)N)F −7.7 ± 0.3
1690 EN300-1667046_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(c6ccn[nH]6)O −7.7 ± 0.3
1691 EN300-364612_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]6[C@@H]5C(=O)NCCO6 −7.7 ± 0.3
1692 EN300-1267109_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(cn[nH]5)C#N −7.7 ± 0.2
1693 EN300-6479181_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H]6N5C(=O)CC6 −7.7 ± 0.3
1694 EN300-10397_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)N −7.7 ± 0.2
1695 EN300-317272_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@@H]6CCOC6 −7.7 ± 0.3
1696 EN300-368758_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@@H]6CCCO6 −7.7 ± 0.2
1697 EN300-09325_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccccc5n6cnnn6 −7.7 ± 0.3
1698 EN300-1707980_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)c6[nH]ncn6 −7.6 ± 0.2
1699 EN300-2007648_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C56CC(C5)CO6 −7.6 ± 0.2
1700 EN300-250112_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5csc(n5)CO −7.6 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
Generated by fah-xchem version 0.1.0+46.g08bf2f5.dirty