Microstates

Showing 2801 through 2900 of 11295
Rank Microstate SMILES ΔG / kcal M-1
2801 EN300-99391_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@H]5CCOC5 −10.4 ± 0.3
2802 EN300-71560_3_1 molecule COC(=O)NCCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2803 EN300-39504_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCS(=O)(=O)N −10.4 ± 0.4
2804 EN300-722418_1_2 molecule C[C@H](CN(C[C@@H](C)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.5
2805 EN300-31183_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC −10.4 ± 0.3
2806 EN300-741822_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[C@H]([C@H](C5)O)O −10.4 ± 0.3
2807 EN300-6743433_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(c5)cnn6 −10.4 ± 0.2
2808 EN300-1387243_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@H]5COCC6 −10.4 ± 0.4
2809 EN300-7456499_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCCO −10.4 ± 0.4
2810 EN300-1273202_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C(C5)(F)F −10.4 ± 0.3
2811 EN300-1600786_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2812 EN300-1600786_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2813 EN300-306047_3_1 molecule Cn1cc(nn1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2814 EN300-103187_1_1 molecule CCOCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2815 EN300-7442332_3_1 molecule Cc1c(n(cn1)OC)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2816 EN300-158272_1_1 molecule CC(=O)N1C[C@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.4 ± 0.4
2817 EN300-90142_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC[C@@H](C5)C(=O)N −10.4 ± 0.4
2818 EN300-39458_1_1 molecule Cc1c(c(n(n1)CCO)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2819 EN300-6745453_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5Cc6nncn6C5 −10.4 ± 0.3
2820 EN300-174603_2_1 molecule CN(C(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.4 ± 0.3
2821 EN300-101505_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 −10.4 ± 0.2
2822 EN300-41828_1_1 molecule CCOC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2823 EN300-122340_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCSCC5)O −10.4 ± 0.3
2824 EN300-1273019_1_1 molecule CCc1[nH]c(=O)c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2825 EN300-86282_2_1 molecule C[C@@H](CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2826 EN300-6729572_1_7 molecule C[C@@H]([C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.3
2827 EN300-72730_1_2 molecule C[C@H](C#N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
2828 EN300-302058_2_2 molecule CON1CC[C@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2829 EN300-23318_3_1 molecule C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2830 EN300-304662_2_1 molecule Cc1nnc(o1)CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2831 EN300-7463275_1_2 molecule C[C@H]([C@@H]1C[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.2
2832 EN300-7465222_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]5N(=O)=O −10.4 ± 0.3
2833 EN300-97300_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5F −10.4 ± 0.2
2834 EN300-134855_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](c5cccnc5)O −10.4 ± 0.5
2835 EN300-7355519_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5C[C@@H]6[C@@H](O5)CCO6 −10.4 ± 0.4
2836 EN300-54922_2_1 molecule CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2837 EN300-6729572_2_6 molecule C[C@H]([C@@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.2
2838 EN300-366299_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CC(=O)NC[C@H]5C[C@@H](C5)O)cc1 −10.4 ± 0.2
2839 EN300-718785_3_2 molecule CCN1[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2840 EN300-7431365_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6n(c5)CCCNC6=O −10.4 ± 0.3
2841 EN300-7439284_3_1 molecule COc1cn[nH]c1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2842 EN300-259849_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@H](C5=O)O −10.4 ± 0.4
2843 ALP-POS-d3acb8cc-1_1 molecule C[C@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −10.37 ± 0.09
2844 EN300-214552_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 −10.4 ± 0.4
2845 EN300-106540_1_1 molecule C[C@@H](CC(=O)OC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2846 EN300-18557_3_1 molecule CC(=O)N1CCC(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2847 EN300-24014_1_2 molecule CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2848 EN300-28340_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(=O)N5CCCC5 −10.4 ± 0.4
2849 EN300-7536177_3_1 molecule Cc1ncnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2850 EN300-83558_3_1 molecule Cc1ccnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2851 EN300-1425608_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H](C5)CO)CCO −10.4 ± 0.3
2852 EN300-151461_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@H]6CCOC6 −10.4 ± 0.3
2853 EN300-14458_3_1 molecule C[C@@H](C(=O)N(C)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2854 EN300-104395_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCO5 −10.4 ± 0.3
2855 EN300-345656_1_1 molecule C[C@@H]1C[C@@H](NC(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2856 EN300-1387145_3_4 molecule CS(=O)(=O)[C@H]1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2857 EN300-7461217_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]([C@@H](C5)F)O −10.4 ± 0.4
2858 EN300-01527_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@H]5CCCO5 −10.4 ± 0.3
2859 EN300-817811_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)[nH]cn5 −10.4 ± 0.2
2860 EN300-817811_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)[nH]cn5 −10.4 ± 0.2
2861 EN300-69313_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)O −10.4 ± 0.3
2862 EN300-102864_3_1 molecule Cc1cc(cc(=O)n1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.3
2863 EN300-7426781_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6cccn6ncn5 −10.4 ± 0.2
2864 EN300-101505_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N5 −10.4 ± 0.2
2865 EN300-304135_2_2 molecule CC[C@]1(CCNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2866 EN300-77092_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5OCCO5 −10.4 ± 0.2
2867 EN300-11714_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccccc5=O −10.4 ± 0.3
2868 EN300-207765_3_2 molecule CN1[C@H](CCC1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2869 EN300-140383_1_1 molecule COC(=O)NC1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2870 EN300-59285_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.3
2871 EN300-04073_4_1 molecule CC(=O)NCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2872 EN300-1644723_4_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5[C@H]6[C@H]5COCC6 −10.4 ± 0.3
2873 EN300-2723070_4_1 molecule CN(C)[C@@H]1COC[C@@H]1OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2874 EN300-2008102_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CN6CC(O5)CCC6=O −10.4 ± 0.5
2875 EN300-00271_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.4 ± 0.3
2876 EN300-124052_1_3 molecule C[C@@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2877 EN300-2855057_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)N5CCOCC5 −10.4 ± 0.4
2878 EN300-195590_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCNC(=O)C5 −10.4 ± 0.2
2879 EN300-6486793_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCC5)S(=O)(=O)N −10.4 ± 0.5
2880 EN300-137734_1_2 molecule C[C@H]1CN(CCS1(=O)=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2881 EN300-182725_3_2 molecule C[C@H]([C@@H](C)S(=O)(=O)C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2882 EN300-119366_1_1 molecule COCC1(CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.4 ± 0.3
2883 EN300-66494_3_1 molecule CNC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.4
2884 EN300-260418_1_1 molecule Cn1c(nc(n1)C2CC2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.3
2885 EN300-316679_1_1 molecule CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.3
2886 EN300-01527_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@H]5CCCO5 −10.4 ± 0.3
2887 EN300-31145_1_1 molecule CC(C)C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2888 EN300-1705754_4_1 molecule CC1(CS(=O)(=O)C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2889 EN300-12587_3_2 molecule CC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
2890 EN300-748753_1_1 molecule C[C@]12CN(C[C@H]1CS(=O)(=O)C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.4 ± 0.4
2891 EN300-1699871_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)N5 −10.4 ± 0.3
2892 EN300-120282_2_1 molecule Cn1cc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
2893 EN300-48902_1_1 molecule CNC(=O)[C@@H]1CCCN1C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2894 EN300-51961_1_2 molecule CC[C@H](C)C(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
2895 EN300-19542_2_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.3
2896 EN300-250593_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)N5 −10.4 ± 0.3
2897 VLA-UCB-50c39ae8-7_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.4 ± 0.2
2898 DAR-DIA-6a508060-10_2 molecule C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.1
2899 EN300-33398_1_2 molecule CC(C)N1C[C@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2900 EN300-1703825_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6[C@H]5CS(=O)(=O)C6 −10.4 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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