Microstates

Showing 2701 through 2800 of 11295
Rank Microstate SMILES ΔG / kcal M-1
2701 EN300-74965_1_1 molecule Cc1c2c(=O)cc([nH]c2n(n1)C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.3
2702 EN300-1087187_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6CCC(=O)N[C@@H]6C5 −10.4 ± 0.3
2703 EN300-19342_1_1 molecule CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2704 EN300-264184_1_1 molecule CCn1c(c[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2705 ADA-UCB-dc2b944c-16_1 molecule CC1(C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4)C −10.4 ± 0.1
2706 EN300-1703852_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5COC(=O)N5 −10.4 ± 0.2
2707 EN300-80241_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)Cn6cncn6 −10.4 ± 0.4
2708 EN300-297144_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CCO)CO −10.4 ± 0.2
2709 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2710 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2711 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2712 EN300-201553_1_1 molecule Cn1cc(cn1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2713 EN300-201553_1_1 molecule Cn1cc(cn1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2714 EN300-77359_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −10.4 ± 0.3
2715 EN300-7464289_1_1 molecule C[C@@](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(=O)OC)F −10.4 ± 0.2
2716 EN300-1262640_4_1 molecule CC(C)NC(=O)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2717 EN300-1703718_1_1 molecule CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.4
2718 EN300-72896_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5 −10.4 ± 0.2
2719 EN300-197715_4_1 molecule Cc1nnnn1CCCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2720 EN300-246992_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCC(=O)NC5 −10.4 ± 0.3
2721 EN300-682529_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@]5(CCOC5)CO −10.4 ± 0.3
2722 EN300-31148_3_1 molecule CCC(=O)N[C@@H](C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2723 EN300-226314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5CCS(=O)(=O)C5 −10.4 ± 0.3
2724 EN300-55250_4_1 molecule COCCOCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.4
2725 EN300-314890_1_1 molecule CN(C)C(=O)[C@@H]1CC[C@@H](O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2726 EN300-10397_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)N −10.4 ± 0.2
2727 EN300-120414_1_4 molecule C[C@H]1CN2CCN1C[C@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.4
2728 EN300-7471076_1_2 molecule C[C@H]1[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.3
2729 EN300-206282_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)C#N −10.4 ± 0.2
2730 EN300-185398_2_2 molecule C[C@H](C(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −10.4 ± 0.2
2731 EN300-118045_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc([nH]c5=O)C6CC6 −10.4 ± 0.3
2732 EN300-185751_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −10.4 ± 0.3
2733 EN300-185751_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −10.4 ± 0.3
2734 EN300-34636_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(=O)[nH]5 −10.4 ± 0.2
2735 EN300-741926_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@@H](C5)F)O −10.4 ± 0.3
2736 EN300-43206_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCS5(=O)=O −10.4 ± 0.3
2737 EN300-1716006_1_1 molecule CN(Cc1[nH]c(=O)[nH]n1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2738 EN300-194442_1_1 molecule C[C@@]1(CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −10.4 ± 0.3
2739 EN300-393334_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)CC(=O)N −10.4 ± 0.3
2740 JOH-SUS-a69c159d-2_1 molecule c1ccc2c(c1)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.42 ± 0.05
2741 EN300-344121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC[C@H]5O −10.4 ± 0.3
2742 EN300-141224_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(ncn6)C5 −10.4 ± 0.3
2743 EN300-7436306_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5=NO[C@H]6[C@@H]5COC6 −10.4 ± 0.3
2744 EN300-98648_1_1 molecule CN1CC[C@@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2745 EN300-98648_1_1 molecule CN1CC[C@@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2746 EN300-82179_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)N −10.4 ± 0.3
2747 EN300-87334_3_1 molecule Cn1c(ncn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2748 EN300-1718675_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnnn5C6CC6 −10.4 ± 0.3
2749 EN300-31186_4_1 molecule CCC(=O)NCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2750 EN300-261596_2_1 molecule C=CCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2751 EN300-761618_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5cccnn5 −10.4 ± 0.3
2752 EN300-6953121_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]5F −10.4 ± 0.2
2753 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 −10.4 ± 0.4
2754 EN300-171215_1_1 molecule C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2755 EN300-171215_1_1 molecule C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2756 EN300-202757_3_2 molecule C[C@H](CC(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2757 EN300-103144_3_1 molecule CSCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.4
2758 EN300-20160_1_1 molecule C[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.2
2759 EN300-31970_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cc5)n6cnnn6 −10.4 ± 0.3
2760 EN300-321053_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCOC[C@@H]5O −10.4 ± 0.3
2761 EN300-80522_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@H]5CCOC5 −10.4 ± 0.3
2762 EN300-7538678_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)n6c5COCC6 −10.4 ± 0.3
2763 EN300-207765_1_1 molecule CN1[C@@H](CCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2764 EN300-66770_3_1 molecule CNC(=O)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2765 EN300-20375_4_1 molecule COCCOCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2766 EN300-1725538_3_1 molecule Cn1cc(nc1)C[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.3
2767 EN300-2972220_2_1 molecule CC(C)[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.4 ± 0.3
2768 EN300-233678_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)CO)O −10.4 ± 0.3
2769 EN300-1664865_1_2 molecule Cn1c2c(nn1)CCC[C@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.3
2770 EN300-1273016_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCc6n5ncn6 −10.4 ± 0.2
2771 EN300-143449_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCN(=O)=O −10.4 ± 0.3
2772 EN300-359750_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)O5 −10.4 ± 0.3
2773 EN300-1265949_3_2 molecule C[C@H](C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2774 EN300-316216_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −10.4 ± 0.3
2775 EN300-316216_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −10.4 ± 0.3
2776 EN300-366974_1_1 molecule CN(CCS(=O)(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2777 EN300-16582_3_1 molecule CC(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.4 ± 0.4
2778 EN300-120282_4_1 molecule Cn1cc(nn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2779 EN300-95094_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CSC5 −10.4 ± 0.2
2780 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −10.4 ± 0.3
2781 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −10.4 ± 0.3
2782 EN300-09239_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc(c5)n6cnnn6 −10.4 ± 0.3
2783 EN300-96175_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOC5=O −10.4 ± 0.6
2784 EN300-184355_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](C(=O)N)O −10.4 ± 0.4
2785 EN300-71558_1_1 molecule COC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2786 JAG-UCB-706446eb-5_2 molecule COCCN([C@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2787 EN300-51257_2_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.4 ± 0.2
2788 EN300-154912_1_1 molecule COc1nccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2789 EN300-86732_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)[C@@H]5CCCO5 −10.4 ± 0.3
2790 EN300-148421_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(CCOC5)O −10.4 ± 0.5
2791 EN300-35450_1_1 molecule CC(C)N(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2792 EN300-35450_1_1 molecule CC(C)N(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2793 EN300-310888_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5CCOCC6 −10.4 ± 0.2
2794 EN300-7438088_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]6CS(=O)(=O)C[C@@H]6C5 −10.4 ± 0.4
2795 EN300-384241_1_1 molecule Cc1[nH]c(nn1)C2CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.3
2796 EN300-132615_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −10.4 ± 0.4
2797 MAK-UNK-8be7dca9-5_1 molecule c1cc2c(cc1CN)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.39 ± 0.09
2798 DAR-DIA-5ff57136-14_1 molecule CC(C)(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.4 ± 0.2
2799 EN300-1709295_1_1 molecule Cc1cnc(cn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2800 EN300-7423123_3_1 molecule Cc1nc(n(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.4 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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