Microstates

Showing 2801 through 2900 of 6099
Rank Microstate SMILES ΔG / kcal M-1
2801 EN300-6474341_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCn6cnnc6C5 −6.9 ± 0.2
2802 EN300-7493768_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC56CC(C5)S(=O)(=O)C6 −6.9 ± 0.2
2803 EN300-6497444_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn6c5OC[C@@H](C6)O −6.9 ± 0.3
2804 EN300-378373_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CC5 −6.9 ± 0.2
2805 EN300-67533_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](C5CC5)O −6.9 ± 0.3
2806 EN300-124301_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCn5ccnn5 −6.9 ± 0.3
2807 EN300-6503811_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](Cc5cnc[nH]5)O −6.9 ± 0.3
2808 EN300-28340_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCC(=O)N5CCCC5 −6.9 ± 0.3
2809 EN300-141942_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CCOCC5)O −6.9 ± 0.3
2810 EN300-141942_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CCOCC5)O −6.9 ± 0.3
2811 EN300-82616_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCNC5=O −6.9 ± 0.3
2812 EN300-321459_1_1 molecule CN(C(=O)C[C@@]1(c2c(ccc(c2)Cl)OCC1)C(=O)Nc3c4c(cnc3)cccc4)[C@H]5C[C@H](C5)C(=O)N −6.9 ± 0.3
2813 EN300-225012_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c6nccn6ccn5 −6.9 ± 0.3
2814 EN300-225012_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c6nccn6ccn5 −6.9 ± 0.3
2815 NAU-LAT-0543f7f2-10_1 molecule CC(=O)NCCOc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −6.9 ± 0.3
2816 EN300-190026_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@@H]5CCCO5 −6.9 ± 0.4
2817 EN300-85760_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCO5 −6.9 ± 0.2
2818 EN300-7448078_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)[C@@H](C[C@@H]6O)O −6.9 ± 0.2
2819 EN300-152337_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)NCC5 −6.9 ± 0.2
2820 EN300-210256_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CNC(=O)N −6.9 ± 0.3
2821 EN300-261056_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(cn5)c6ncccn6 −6.9 ± 0.2
2822 EN300-6733595_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC56CC(C5)(CO6)C(=O)N −6.9 ± 0.3
2823 EN300-219609_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cnccc5=O −6.9 ± 0.3
2824 EN300-140582_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@]5CC(F)F −6.9 ± 0.3
2825 EN300-72946_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5c(=O)n6ccccc6n5 −6.9 ± 0.3
2826 EN300-85043_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccnc5OCCO −6.9 ± 0.3
2827 EN300-344563_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(c6n[n-]nn6)O −6.9 ± 0.2
2828 EN300-204507_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CO)F −6.8 ± 0.3
2829 EN300-204507_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CO)F −6.8 ± 0.3
2830 EN300-210933_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCN(C5)C(=O)N −6.8 ± 0.2
2831 EN300-321053_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCOC[C@H]5O −6.8 ± 0.3
2832 EN300-702756_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CS(=O)(=O)CC(=O)N5 −6.8 ± 0.3
2833 EN300-212381_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCCN(C5)C(=O)N −6.8 ± 0.3
2834 EN300-1609249_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CS(=O)(=O)C6 −6.8 ± 0.3
2835 EN300-85413_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CC(=O)N)C5CC5 −6.8 ± 0.3
2836 EN300-83280_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5ccccn5 −6.8 ± 0.2
2837 EN300-7438185_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6nncn6nc5 −6.8 ± 0.2
2838 EN300-217107_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@H]5C(=O)N −6.8 ± 0.2
2839 EN300-315238_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@H](O5)C(=O)N −6.8 ± 0.3
2840 EN300-1932780_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C(F)F)O −6.8 ± 0.3
2841 EN300-6763991_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nnc6n5CCOC6 −6.8 ± 0.2
2842 EN300-95639_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)O)CO −6.8 ± 0.2
2843 EN300-250112_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5csc(n5)CO −6.8 ± 0.3
2844 MAT-POS-8a69d52e-7_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −6.84 ± 0.05
2845 EN300-1589101_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5c[nH]nc5 −6.8 ± 0.3
2846 EN300-6744029_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccsc5n6cnnn6 −6.8 ± 0.3
2847 EN300-1242134_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)C56CCC6 −6.8 ± 0.4
2848 EN300-169955_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@@H](CC(=O)N5)C(F)(F)F −6.8 ± 0.2
2849 EN300-332606_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC(=O)O5 −6.8 ± 0.2
2850 EN300-250836_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCc5c[nH]nc5 −6.8 ± 0.3
2851 EN300-1704047_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c(cn[nH]6)[C@@H]5C(=O)N −6.8 ± 0.3
2852 EN300-1696143_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6CCCN6C(=O)C5 −6.8 ± 0.3
2853 EN300-104029_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@H](C5)C(=O)NC6=O −6.8 ± 0.2
2854 EN300-1212400_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H]5CO)CO −6.8 ± 0.3
2855 EN300-121939_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN6[C@H](C5)CCOC6=O −6.8 ± 0.3
2856 EN300-203853_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNS(=O)(=O)C5CC5 −6.8 ± 0.3
2857 EN300-124258_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@]5(CCOC5)C(=O)N −6.8 ± 0.3
2858 EN300-148421_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(CCOC5)O −6.8 ± 0.2
2859 EN300-6526669_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn6c5C(=O)NCC6 −6.8 ± 0.3
2860 EN300-761618_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)Nc5cccnn5 −6.8 ± 0.3
2861 EN300-1689158_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(n[nH]5)C(=O)N −6.8 ± 0.3
2862 EN300-1265434_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](C5CC5)C(=O)N −6.8 ± 0.3
2863 EN300-1718675_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnnn5C6CC6 −6.8 ± 0.3
2864 EN300-246486_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5coc(=O)[nH]5 −6.8 ± 0.2
2865 EN300-139167_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5COCCO5 −6.8 ± 0.2
2866 EN300-139167_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5COCCO5 −6.8 ± 0.2
2867 EN300-139167_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5COCCO5 −6.8 ± 0.2
2868 EN300-77520_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CCOCC5 −6.8 ± 0.3
2869 EN300-28611_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(cn(n6)CCO)C5 −6.8 ± 0.3
2870 EN300-77778_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCS(=O)(=O)C5 −6.8 ± 0.3
2871 EN300-6499164_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=O)N[C@@H]6[C@@H]5CC6 −6.8 ± 0.2
2872 EN300-25446_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnco5 −6.8 ± 0.2
2873 EN300-01527_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@@H]5CCCO5 −6.8 ± 0.3
2874 EN300-77885_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)C5CC5 −6.8 ± 0.3
2875 EN300-1253178_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC5CC5 −6.8 ± 0.2
2876 EN300-1253178_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC5CC5 −6.8 ± 0.2
2877 EN300-34542_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC[C@@H]5C(=O)N −6.8 ± 0.3
2878 ADA-UCB-dc2b944c-10_1 molecule Cc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.8 ± 0.1
2879 EN300-19926_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC#N −6.8 ± 0.2
2880 EN300-1627945_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@@H]5CCCOC5 −6.8 ± 0.2
2881 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 −6.8 ± 0.2
2882 EN300-90142_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC[C@H](C5)C(=O)N −6.8 ± 0.3
2883 EN300-210110_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn(nn5)C6CC6 −6.8 ± 0.2
2884 EN300-378652_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CC5)S(=O)(=O)N −6.8 ± 0.3
2885 EN300-01527_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@@H]5CCCO5 −6.8 ± 0.3
2886 EN300-7540875_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnc6ncnn6c5 −6.8 ± 0.3
2887 EN300-3044054_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC(=O)N5C6CC6 −6.8 ± 0.3
2888 EN300-6758891_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6COCCN6C(=O)C5 −6.8 ± 0.3
2889 EN300-266460_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nc(co5)C(=O)N −6.8 ± 0.2
2890 EN300-1968342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CF)O −6.8 ± 0.2
2891 EN300-1968342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CF)O −6.8 ± 0.2
2892 EN300-25446_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnco5 −6.8 ± 0.2
2893 EN300-704039_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@H](C56CCOCC6)O −6.8 ± 0.3
2894 EN300-6491117_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnco5 −6.8 ± 0.2
2895 EN300-6732376_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC[C@H]5CO −6.8 ± 0.3
2896 EN300-105693_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(COC5)CO −6.8 ± 0.2
2897 EN300-312662_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5[nH]nc(n5)CO −6.8 ± 0.4
2898 EN300-1692858_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cnn(c5)CCO −6.8 ± 0.3
2899 EN300-1692858_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cnn(c5)CCO −6.8 ± 0.3
2900 EN300-396329_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]5CO −6.8 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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