Microstates

Showing 2601 through 2700 of 7698
Rank Microstate SMILES ΔG / kcal M-1
2601 EN300-138170_1_1_1 molecule C[C@@H]1CCN(C1)C(=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2602 EN300-11195_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC5 −9.8 ± 0.2
2603 EN300-761618_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)Nc5cccnn5 −9.8 ± 0.3
2604 EN300-13890_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@H]5CCS(=O)(=O)C5 −9.8 ± 0.3
2605 EN300-123489_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(CO)(F)F −9.8 ± 0.2
2606 EN300-1704404_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)CC56CCC6 −9.8 ± 0.2
2607 EN300-6478631_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6n5cnn6 −9.8 ± 0.3
2608 EN300-11441_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(=O)[nH]c(=O)[nH]5 −9.8 ± 0.3
2609 EN300-95698_1_1_1 molecule C[C@@H]1CC(=O)NC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
2610 EN300-40947_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −9.8 ± 0.3
2611 EN300-154912_1_1_1 molecule COc1nccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2612 EN300-66461_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)N5 −9.8 ± 0.2
2613 EN300-7355737_3_1_1 molecule Cn1cc(c(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −9.8 ± 0.4
2614 EN300-204935_3_1_1 molecule Cn1ncc(n1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2615 LAU-MED-88a3970a-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCCO)Cl −9.8 ± 0.2
2616 EN300-1911992_2_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@H]5CCOC5)O −9.8 ± 0.3
2617 EN300-6478054_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H](C5)CO −9.8 ± 0.4
2618 EN300-64536_1_1_1 molecule COCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
2619 EDG-MED-90036822-80_2 molecule C[C@H](C#N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
2620 EN300-31553_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCS(=O)(=O)N −9.8 ± 0.3
2621 EDJ-MED-28ec730d-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c[nH]nc5 −9.8 ± 0.2
2622 EN300-189563_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCC5CS(=O)(=O)C5 −9.8 ± 0.3
2623 EN300-321790_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5CO6 −9.8 ± 0.2
2624 EN300-196140_1_2_1 molecule C[C@]1(CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)NC −9.8 ± 0.4
2625 EN300-301690_1_2_1 molecule CS(=O)(=O)[N@]1CC[C@H](C1)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2626 DAR-DIA-23e5a6a0-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CCC6([NH2+]5)CCC6)Cl −9.8 ± 0.3
2627 EN300-310888_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5CCOCC6 −9.8 ± 0.3
2628 EDJ-MED-fcba3f31-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCCNC5=O −9.8 ± 0.2
2629 EN300-05620_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)N −9.8 ± 0.3
2630 EN300-179091_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC(F)F −9.8 ± 0.2
2631 EN300-205486_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c[nH]ccc5=O −9.8 ± 0.3
2632 MIC-UNK-c66144cb-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](CCC3CCCCC3)c4cccc(c4)Cl −9.8 ± 0.3
2633 EN300-1644723_4_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −9.8 ± 0.4
2634 EN300-262604_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C(=O)N −9.8 ± 0.4
2635 EN300-214800_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCN5CCNC5=O −9.8 ± 0.3
2636 EN300-307053_1_1_1 molecule CC(=O)Nc1cc(c(=O)[nH]c1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2637 EN300-120562_1_3_1 molecule C[C@@H]1C[N@@]2CC[N@H+]1[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
2638 EN300-6494158_4_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5C[C@H](CO5)CO −9.8 ± 0.3
2639 EN300-18249_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N −9.8 ± 0.2
2640 EN300-1600517_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CO)F −9.8 ± 0.3
2641 EN300-7535922_1_1_1 molecule CN(C)c1ccc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2642 EN300-7535922_1_1_1 molecule CN(C)c1ccc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2643 JOH-UNI-ea72002d-1_1 molecule c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N5C(=O)C=CC5=O −9.8 ± 0.2
2644 EN300-6745214_1_1_1 molecule CONC1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
2645 ALP-POS-477dc5b7-5_1 molecule c1ccc2c(c1)cncc2N3CCC[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.8 ± 0.3
2646 EN300-14458_2_2_1 molecule C[C@H](C(=O)N(C)C)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
2647 EN300-246248_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCNC5=O −9.8 ± 0.2
2648 EN300-151461_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)[C@H]6CCOC6 −9.8 ± 0.4
2649 EN300-6479181_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 −9.8 ± 0.3
2650 EN300-92662_1_1_1 molecule Cn1c(ccn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
2651 EN300-153257_1_2_1 molecule CC(C)[C@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
2652 EN300-97904_3_1_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2653 EN300-261596_1_1_1 molecule C=CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
2654 MAT-POS-de59a476-4_1 molecule COCCO[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −9.8 ± 0.3
2655 EN300-1253178_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CC5 −9.8 ± 0.3
2656 EN300-72109_1_1_1 molecule CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
2657 EDG-MED-90036822-39_2 molecule C[C@H](CO)NCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F −9.8 ± 0.4
2658 EN300-268198_2_2_1 molecule C[C@H](CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −9.8 ± 0.2
2659 EN300-220676_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS(=O)(=O)C5 −9.8 ± 0.2
2660 EN300-1718675_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnnn5C6CC6 −9.8 ± 0.3
2661 EN300-67573_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CCOCC5 −9.8 ± 0.3
2662 EN300-53677_3_1_1 molecule CS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
2663 EN300-35781_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6ccccn6c5=O −9.8 ± 0.3
2664 EN300-1721328_1_1_1 molecule Cc1nnc(n1C)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2665 MAT-POS-e69ad64a-2_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3COc4c3cc(cc4)Cl −9.8 ± 0.3
2666 EN300-78121_1_1_1 molecule CS(=O)(=O)c1cnn(c1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2667 EN300-185751_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −9.8 ± 0.3
2668 EN300-185751_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cncnc5 −9.8 ± 0.3
2669 EN300-22879_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCC[C@H]5C(=O)N −9.8 ± 0.4
2670 MAT-POS-de59a476-5_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)OCCO −9.8 ± 0.3
2671 MAT-POS-fce787c2-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](C#N)c3ccc(c(c3)Cl)Cl −9.8 ± 0.3
2672 EN300-6745453_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5Cc6nncn6C5 −9.8 ± 0.3
2673 EN300-59285_1_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.8 ± 0.3
2674 EDJ-MED-d203f206-30_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5C(=O)N −9.8 ± 0.3
2675 EN300-1704723_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCCF −9.8 ± 0.3
2676 EN300-2855057_3_2_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)N5CCOCC5 −9.8 ± 0.4
2677 EN300-1299691_1_2_1 molecule CC(C)OC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −9.8 ± 0.3
2678 EN300-66432_3_1_1 molecule CN(C)S(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
2679 EN300-21258_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCO −9.8 ± 0.2
2680 EN300-6494158_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C[C@@H](CO5)CO −9.8 ± 0.3
2681 EN300-206282_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)C#N −9.8 ± 0.2
2682 EDG-MED-90036822-15_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CO)F −9.8 ± 0.2
2683 EN300-61860_1_1_1 molecule Cc1cc2[nH]c(=O)c(cn2n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
2684 EN300-247343_2_1_1 molecule CC1(CC(C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.2
2685 EN300-6473273_3_1_1 molecule Cn1c(ccn1)[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.3
2686 EN300-1703852_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5COC(=O)N5 −9.8 ± 0.3
2687 EN300-203293_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CNC(=O)O5 −9.8 ± 0.3
2688 EN300-182725_1_4_1 molecule C[C@H]([C@H](C)S(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
2689 EN300-1709410_1_1_1 molecule C[C@@H]1C[C@@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −9.8 ± 0.3
2690 EN300-134855_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](c5cccnc5)O −9.8 ± 0.3
2691 ED_-GRI-5b13fbe2-72_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCO −9.8 ± 0.2
2692 EN300-6492197_1_1_1 molecule CNC(=O)[C@H]1CCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
2693 EN300-169955_3_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@H](CC(=O)N5)C(F)(F)F −9.8 ± 0.4
2694 MAT-POS-8a69d52e-4_2_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −9.79 ± 0.06
2695 EN300-18569_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −9.8 ± 0.3
2696 EN300-6238494_1_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]([C@H]5COCCO5)O −9.8 ± 0.5
2697 EN300-52768_3_2_1 molecule CCCS(=O)(=O)[C@H](C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.5
2698 EN300-249804_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCOC(=O)N5 −9.8 ± 0.3
2699 EN300-62448_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CCC5 −9.8 ± 0.3
2700 EN300-1703718_1_1_1 molecule CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty