Microstates

Showing 4701 through 4800 of 7698
Rank Microstate SMILES ΔG / kcal M-1
4701 EN300-113234_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC(=O)OC5 −8.7 ± 0.2
4702 EN300-2011083_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC(=O)OCC5 −8.7 ± 0.3
4703 RAL-THA-05e671eb-20_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4C#N)Cl −8.7 ± 0.3
4704 EN300-6763991_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nnc6n5CCOC6 −8.7 ± 0.3
4705 EN300-106781_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccc(=O)[nH]c5=O −8.7 ± 0.4
4706 DAR-DIA-23e5a6a0-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)COC6)Cl −8.7 ± 0.3
4707 EN300-317085_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@@H](C5)F)O −8.7 ± 0.2
4708 EN300-6737762_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCCNC5=O −8.7 ± 0.3
4709 ALP-POS-2da19ca7-7_5 molecule C[C@@H]1C[N@@](CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −8.7 ± 0.3
4710 EN300-1264816_1_1_1 molecule CN1CC[C@@H](C1=O)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4711 EN300-16772_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCO −8.7 ± 0.2
4712 EN300-1720418_1_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCON5 −8.7 ± 0.2
4713 EN300-31562_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]nc5 −8.7 ± 0.3
4714 EN300-260696_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]([C@@H]5n6cccn6)O −8.7 ± 0.2
4715 ALP-POS-2da19ca7-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCOC6 −8.7 ± 0.4
4716 EN300-1601684_2_1_1 molecule CC1([C@@H](OCCO1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −8.7 ± 0.4
4717 EDG-MED-4c68219f-1_1 molecule C[C@@H](CN1C(=O)[C@@H](CO1)[NH3+])CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.5
4718 EN300-156212_1_1_1 molecule Cn1c(nnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.2
4719 EN300-7370063_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −8.7 ± 0.3
4720 EN300-7370063_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −8.7 ± 0.3
4721 EN300-6473273_1_1_1 molecule Cn1c(ccn1)[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.7 ± 0.3
4722 EN300-6473273_1_1_1 molecule Cn1c(ccn1)[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.7 ± 0.3
4723 RAL-THA-8416115c-1_4 molecule c1ccc(cc1)CN2CC[C@H](c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4724 EN300-1600363_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]5C#N −8.7 ± 0.3
4725 EN300-212142_1_1_1 molecule Cn1ncc(n1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4726 EN300-39504_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCS(=O)(=O)N −8.7 ± 0.4
4727 KAD-UNI-8a629cb0-21_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F −8.7 ± 0.5
4728 DAR-DIA-0d514e7d-12_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F −8.7 ± 0.2
4729 EN300-301690_2_2_1 molecule CS(=O)(=O)[N@@]1CC[C@H](C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4730 MAT-POS-5d65ec79-1_2 molecule CN(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.2
4731 EN300-1664105_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)n6cc(nn6)CO −8.7 ± 0.3
4732 EN300-384027_1_1_1 molecule COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.2
4733 MAT-POS-66a736cf-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl −8.7 ± 0.3
4734 EN300-96797_1_1_1 molecule C[C@@H]1CN(CC(=O)N1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.2
4735 EN300-132523_3_1_1 molecule C[N@](CCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −8.7 ± 0.4
4736 DAR-DIA-23e5a6a0-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6(CC6)C[NH2+]5)Cl −8.7 ± 0.4
4737 EN300-104891_1_1_1 molecule CNC(=O)c1cccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4738 EDJ-MED-ee07cf00-17_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)Cn4c(=O)c5ccnn5cn4 −8.7 ± 0.5
4739 EN300-147628_1_1_1 molecule CNC(=O)N1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4740 EN300-25986_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5cccn5 −8.7 ± 0.3
4741 EN300-7435482_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C6(C5)CCOCC6)O −8.7 ± 0.3
4742 EN300-22880_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@@H](C5)C(=O)N −8.7 ± 0.4
4743 EN300-7434398_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CC5)c6[nH]ncn6 −8.7 ± 0.3
4744 EDJ-MED-d203f206-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC56CC(C6)O −8.7 ± 0.3
4745 EN300-1264911_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](CF)O −8.7 ± 0.3
4746 EN300-139268_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)NCC(F)(F)F −8.7 ± 0.3
4747 EN300-208959_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)C[C@@H]5C(F)(F)F −8.7 ± 0.3
4748 MAT-POS-e9e99895-4_2 molecule C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)c4cc(n(n4)C)C#N −8.7 ± 0.3
4749 EN300-72272_1_4_1 molecule C[C@H]([C@H](C)O)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.3
4750 EN300-124376_1_1_1 molecule CN(C[C@@H](CO)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.4
4751 EN300-6238494_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@H]5COCCO5 −8.7 ± 0.3
4752 EN300-1681046_2_1_1 molecule Cn1c2c(c(n1)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)COCC2 −8.7 ± 0.3
4753 EN300-219802_2_1_1 molecule Cn1cnc2c1c(cc(=O)[nH]2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.7 ± 0.3
4754 EN300-39476_1_1_1 molecule Cc1c(cn(n1)CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4755 EN300-315737_1_1_1 molecule CSCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −8.7 ± 0.3
4756 EN300-69708_1_1_1 molecule Cc1c(c(=O)n2c(n1)cc[nH]2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.7 ± 0.3
4757 EN300-103187_3_1_1 molecule CCOCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.3
4758 EN300-1277662_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]5CO −8.7 ± 0.2
4759 MIC-UNK-c66144cb-2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](CCc3ccc(cc3)F)c4cccc(c4)Cl −8.7 ± 0.4
4760 EN300-172481_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(C(=O)N)O −8.7 ± 0.4
4761 EN300-246808_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCCS5(=O)=O −8.7 ± 0.3
4762 EN300-12929_3_1_1 molecule Cc1cc(no1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4763 EN300-89418_2_2_1 molecule C[C@](CO)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.7 ± 0.4
4764 EN300-1657635_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5F −8.7 ± 0.2
4765 EN300-6738732_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56COC[C@H]5C6(F)F −8.7 ± 0.3
4766 EN300-6759972_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](CC5)NC(=O)N −8.7 ± 0.3
4767 EN300-76205_4_1_1 molecule CC(C)(C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −8.7 ± 0.3
4768 EN300-221518_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.7 ± 0.3
4769 EN300-221518_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.7 ± 0.3
4770 EN300-221518_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.7 ± 0.3
4771 EN300-23317_1_1_1 molecule C[C@@H](C(=O)NCCOC)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.3
4772 MAT-POS-1f3f1a6f-3_2 molecule CC(=O)N[C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −8.7 ± 0.4
4773 EN300-19515_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5 −8.7 ± 0.2
4774 EN300-135530_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccnc5C(=O)N −8.7 ± 0.2
4775 EN300-14752_3_1_1 molecule CC(=O)N1CCC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4776 ED_-GRI-5b13fbe2-73_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5(CC5)c6n[n-]nn6 −8.7 ± 0.3
4777 EN300-249086_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H](C5)C(=O)N −8.7 ± 0.3
4778 EN300-1717596_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)n6cnnc6 −8.7 ± 0.3
4779 EN300-6489289_3_2_4 molecule C[C@H]1NN[C@H]2[N@H+]1[C@H](CC2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.7 ± 0.7
4780 EN300-6486576_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc(o5)N6CCOCC6 −8.7 ± 0.2
4781 MIC-UNK-5a93dd5f-2_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@@H]5CCCC[C@H]5C4 −8.7 ± 0.4
4782 EN300-304187_1_1_1 molecule C[C@@]1(C[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC)CO −8.7 ± 0.4
4783 EN300-253187_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5COCO5 −8.7 ± 0.3
4784 EN300-2723070_2_4_1 molecule C[NH+](C)[C@H]1COC[C@H]1OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4785 EN300-100768_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CNC(=O)C6=O −8.7 ± 0.3
4786 EN300-187060_2_1_1 molecule Cn1nc(nn1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.2
4787 EN300-22245_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccon5 −8.7 ± 0.3
4788 EN300-6732376_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC[C@@H]5CO −8.7 ± 0.3
4789 EN300-244947_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5cn[nH]n5 −8.7 ± 0.3
4790 EN300-7430501_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCn6c(cnn6)C5 −8.7 ± 0.3
4791 EN300-7430501_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCn6c(cnn6)C5 −8.7 ± 0.3
4792 RAL-THA-05e671eb-25_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cn4)Cl −8.7 ± 0.2
4793 EN300-185729_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6c(n[nH]n6)C5 −8.7 ± 0.4
4794 MAK-UNK-c749d764-32_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3CO)Cl −8.7 ± 0.3
4795 ALP-POS-869ac754-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3ccc(c4Cl)Cl −8.7 ± 0.2
4796 MAT-POS-fce787c2-11_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](CO)c3ccc(c(c3)Cl)Cl −8.7 ± 0.3
4797 EN300-199290_1_1_1 molecule Cn1c(cnn1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4798 EN300-79538_1_1_1 molecule Cc1c(non1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4799 EN300-33398_1_1_1 molecule CC(C)N1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.7 ± 0.3
4800 EN300-76841_3_1_1 molecule C[C@@](COC)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.7 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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