Microstates

Showing 3701 through 3800 of 11295
Rank Microstate SMILES ΔG / kcal M-1
3701 EN300-259187_3_1 molecule CCN1C[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3702 EN300-52768_1_2 molecule CCCS(=O)(=O)[C@H](C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
3703 EN300-1178209_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5c[nH]nn5 −10.0 ± 0.3
3704 EN300-68875_3_1 molecule CNS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3705 EN300-7355737_3_1 molecule Cn1cc(c(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −10.0 ± 0.3
3706 EN300-305294_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]([C@H]6C5)O −10.0 ± 0.3
3707 EN300-6478054_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H](C5)CO −10.0 ± 0.3
3708 EN300-30768_3_4 molecule C[C@H]1C[C@H]1C(=O)NCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3709 EN300-18561_1_1 molecule CC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3710 EN300-1425608_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@@H](C5)CO)CCO −10.0 ± 0.3
3711 EN300-113507_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(=O)N −10.0 ± 0.3
3712 EN300-36123_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H](C5)[C@H]6CO −10.0 ± 0.3
3713 EN300-08705_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)C5 −10.0 ± 0.3
3714 EN300-78368_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCCC5)NC(=O)N −10.0 ± 0.4
3715 EN300-30572_3_1 molecule CS(=O)(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.7
3716 EN300-220194_3_2 molecule C[C@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −10.0 ± 0.4
3717 EN300-6745712_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CNC(=O)N6 −10.0 ± 0.4
3718 EN300-113112_1_1 molecule Cn1cnnc1CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
3719 EN300-1709315_3_1 molecule C[C@@]1(CCCNS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3720 EN300-6497863_2_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCN(C)C −10.0 ± 0.6
3721 EN300-1588753_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(c6cnn[nH]6)O −10.0 ± 0.4
3722 EN300-107435_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCS5(=O)=O −10.0 ± 0.3
3723 EN300-1629199_3_1 molecule Cc1c(c(nn1C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −10.0 ± 0.4
3724 EN300-1644723_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H]6[C@@H]5COCC6 −10.0 ± 0.3
3725 EN300-114526_2_1 molecule Cc1c(c(n[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
3726 EN300-113564_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6C(=O)N −10.0 ± 0.3
3727 EN300-321789_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@@H]5CO6 −10.0 ± 0.3
3728 EN300-332002_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6n5c(=O)ccc6 −10.0 ± 0.3
3729 EN300-188582_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)O −10.0 ± 0.3
3730 EN300-7435581_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5=NO[C@H]6[C@@H]5COC6 −10.0 ± 0.3
3731 EN300-135530_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccnc5C(=O)N −10.0 ± 0.4
3732 EN300-304695_2_2 molecule CN1CCCC[C@H](C1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3733 EN300-6479181_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@@H]6N5C(=O)CC6 −10.0 ± 0.3
3734 EN300-6764450_2_1 molecule CNC(=O)N1CCC(CC1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3735 EN300-196160_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(c6[nH]nnn6)O −10.0 ± 0.3
3736 EN300-48902_3_1 molecule CNC(=O)[C@@H]1CCCN1C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3737 EN300-10170_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CO)NC(=O)N −10.0 ± 0.2
3738 EN300-6489145_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNS(=O)(=O)CC5 −10.0 ± 0.3
3739 EN300-90531_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC[C@@H]5C(=O)N −10.0 ± 0.3
3740 EN300-1264911_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](CF)O −10.0 ± 0.3
3741 EN300-84186_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)CO −10.0 ± 0.4
3742 EN300-75342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnc5 −10.0 ± 0.2
3743 EN300-75342_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnc5 −10.0 ± 0.2
3744 EN300-190026_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCCO5 −10.0 ± 0.4
3745 EN300-6492197_1_1 molecule CNC(=O)[C@H]1CCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
3746 EN300-04492_4_1 molecule COCCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
3747 EN300-36938_1_1 molecule Cc1cc(no1)NC(=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3748 EN300-115421_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5c(cccn5)O −10.0 ± 0.3
3749 EN300-81038_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)COC6 −10.0 ± 0.3
3750 EN300-60314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[C@H]5O −10.0 ± 0.3
3751 EN300-60314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[C@H]5O −10.0 ± 0.3
3752 EN300-60314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[C@H]5O −10.0 ± 0.3
3753 EN300-91609_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H]6[C@@H]5C6 −10.0 ± 0.2
3754 EN300-119126_4_1 molecule Cc1[nH]c(nn1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3755 EN300-343433_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCc5c[nH]c(=O)nc5 −10.0 ± 0.3
3756 EDJ-MED-e4b030d8-11_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −10.01 ± 0.06
3757 EN300-219330_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOCC5=O −10.0 ± 0.3
3758 EN300-7353973_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](CO)F −10.0 ± 0.3
3759 EN300-182725_2_1 molecule C[C@@H]([C@@H](C)S(=O)(=O)C)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3760 EN300-25572_1_2 molecule C[C@H]1CN(CCO1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3761 EN300-116092_2_1 molecule CCS(=O)(=O)NCCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
3762 EN300-783124_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]([C@@H]5CCOC5)F −10.0 ± 0.3
3763 EN300-263153_4_1 molecule Cn1cc(nn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3764 EN300-82616_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCCNC5=O −10.0 ± 0.4
3765 EN300-94900_1_1 molecule CS(=O)(=O)Cc1nc(on1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3766 EN300-7457160_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NO[C@@H](C5)CC6(COC6)O −10.0 ± 0.4
3767 EN300-55087_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O −10.0 ± 0.3
3768 EN300-55087_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O −10.0 ± 0.3
3769 EN300-6481960_2_1 molecule Cn1c(c2c(n1)CCOC2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.5
3770 EN300-59285_2_1 molecule CC(C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.2
3771 EN300-71022_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)CCO −10.0 ± 0.4
3772 EN300-55744_3_2 molecule CCCC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.0 ± 0.4
3773 EN300-1696058_1_1 molecule CC(=O)OCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3774 EN300-02015_4_1 molecule COCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
3775 EN300-3143295_3_1 molecule Cn1cnnc1[C@@H]2CC[C@@H]2C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.3
3776 EN300-332601_3_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.0 ± 0.3
3777 EN300-6729572_4_3 molecule C[C@@H]([C@H]1C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
3778 EN300-1067786_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)C56CC6 −10.0 ± 0.3
3779 EN300-217107_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −10.0 ± 0.3
3780 EN300-300217_3_2 molecule C/C=C/[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
3781 EN300-2008102_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CN6CC(O5)CCC6=O −10.0 ± 0.3
3782 EN300-98099_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(cs5)S(=O)(=O)N −10.0 ± 0.3
3783 EN300-124374_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)S(=O)(=O)N −10.0 ± 0.3
3784 EN300-1703015_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)Nc5[nH]ccn5 −10.0 ± 0.3
3785 BEN-BAS-5c03e89e-1_1 molecule CC(C)([C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O −10.0 ± 0.2
3786 EN300-716207_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C(CO)(F)F −10.0 ± 0.2
3787 EN300-6497444_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn6c5OC[C@H](C6)O −10.0 ± 0.3
3788 EN300-39405_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −10.0 ± 0.3
3789 EN300-23221_3_1 molecule CC(C)NC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
3790 EN300-817777_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]6[C@@]5(C6)C(=O)N −10.0 ± 0.3
3791 EN300-7355737_4_1 molecule Cn1cc(c(n1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −10.0 ± 0.4
3792 EN300-16772_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCO −10.0 ± 0.3
3793 EN300-1299691_1_1 molecule CC(C)OC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.0 ± 0.3
3794 EN300-120920_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCC(=O)NC5=O −10.0 ± 0.3
3795 EN300-261056_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(cn5)c6ncccn6 −10.0 ± 0.3
3796 EN300-722418_1_1 molecule C[C@H](CN(C[C@H](C)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.4
3797 EN300-101443_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(COC5)O −10.0 ± 0.2
3798 EN300-54837_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5C(=O)CCCC5=O −10.0 ± 0.4
3799 EN300-1911992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]([C@@H]5CCOC5)O −10.0 ± 0.3
3800 EN300-35612_1_1 molecule CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)COC −10.0 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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