| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 701 |
EDJ-MED-8bb691af-8_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.4
± 0.3
|
| 702 |
EDJ-MED-8bb691af-8_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.4
± 0.3
|
| 703 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.4
± 0.3
|
| 704 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.4
± 0.3
|
| 705 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.4
± 0.3
|
| 706 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−7.4
± 0.9
|
| 707 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−7.4
± 0.9
|
| 708 |
ALP-POS-ecbed2ba-1_1
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.3
± 0.8
|
| 709 |
ALP-POS-ecbed2ba-1_1
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.3
± 0.8
|
| 710 |
VLA-UNK-8e615992-5_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.3
± 0.3
|
| 711 |
VLA-UNK-8e615992-5_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.3
± 0.3
|
| 712 |
MAT-POS-853c0ffa-7_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.3
± 0.6
|
| 713 |
VLA-UNK-5d8210f0-2_1
|
|
CNC(=O)C[N@]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−7.3
± 0.1
|
| 714 |
VLA-UNK-5d8210f0-2_1
|
|
CNC(=O)C[N@@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−7.3
± 0.1
|
| 715 |
VLA-UNK-5d8210f0-2_1
|
|
CNC(=O)C[N@]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)F |
−7.3
± 0.1
|
| 716 |
EDJ-MED-94fddcec-6_1
|
|
C[N@@](c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C |
−7.3
± 0.5
|
| 717 |
VLA-UNK-61877630-7_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.3
± 0.9
|
| 718 |
VLA-UNK-61877630-7_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.3
± 0.9
|
| 719 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.3
± 0.2
|
| 720 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.3
± 0.2
|
| 721 |
JOH-MSK-1f2dff76-2_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.3
± 0.3
|
| 722 |
JOH-MSK-1f2dff76-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.3
± 0.3
|
| 723 |
EDJ-MED-4138fde9-6_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCNCC(F)(F)F)c6cc(ccc6C2=O)Cl |
−7.3
± 0.6
|
| 724 |
EDJ-MED-4138fde9-6_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCCNCC(F)(F)F)c6cc(ccc6C2=O)Cl |
−7.3
± 0.6
|
| 725 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.3
± 0.9
|
| 726 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2c[nH+]cc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.3
± 0.9
|
| 727 |
LUO-POS-e1dab717-5_1
|
|
CNC(=O)C1(CC1)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl |
−7.3
± 0.5
|
| 728 |
LUO-POS-e1dab717-5_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl |
−7.3
± 0.5
|
| 729 |
LUO-POS-e1dab717-5_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)OC)Cl |
−7.3
± 0.5
|
| 730 |
VLA-UNK-8e615992-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−7.2
± 0.4
|
| 731 |
VLA-UNK-8e615992-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−7.2
± 0.4
|
| 732 |
EDJ-MED-33064c06-6_1
|
|
CN1CC(C1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.2
± 0.4
|
| 733 |
EDJ-MED-33064c06-6_1
|
|
C[NH+]1CC(C1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.2
± 0.4
|
| 734 |
EDJ-MED-33064c06-6_1
|
|
C[NH+]1CC(C1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.2
± 0.4
|
| 735 |
12_-111-3e02a1cd-2_1 |
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.2
± 0.3
|
| 736 |
PET-UNK-94036022-11_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−7.2
± 0.8
|
| 737 |
JOH-MSK-51c67e7d-1_2
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.4
|
| 738 |
EDJ-MED-40e596c8-1_2
|
|
CNS(=O)(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.1
± 0.4
|
| 739 |
EDJ-MED-40e596c8-1_2
|
|
CNS(=O)(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−7.1
± 0.4
|
| 740 |
MAT-POS-853c0ffa-17_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.1
± 0.9
|
| 741 |
MAT-POS-38eb6498-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.1
± 0.5
|
| 742 |
MAT-POS-38eb6498-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(=O)NC)Cl |
−7.1
± 0.5
|
| 743 |
MAT-POS-853c0ffa-5_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.1
± 0.1
|
| 744 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.0
± 0.4
|
| 745 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.0
± 0.4
|
| 746 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−7.0
± 0.4
|
| 747 |
VLA-UNK-3bd6fc51-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−7.0
± 0.2
|
| 748 |
VLA-UNK-3bd6fc51-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−7.0
± 0.2
|
| 749 |
VLA-UNK-3bd6fc51-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−7.0
± 0.2
|
| 750 |
EDJ-MED-33064c06-3_1
|
|
CNC1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.0
± 0.5
|
| 751 |
EDJ-MED-33064c06-3_1
|
|
CNC1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.0
± 0.5
|
| 752 |
MAT-POS-1d5ab790-1_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.0
± 0.1
|
| 753 |
MAT-POS-e75f6e44-9_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.0
± 0.3
|
| 754 |
MAT-POS-e75f6e44-9_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.0
± 0.3
|
| 755 |
MAT-POS-e75f6e44-9_2
|
|
C[C@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.0
± 0.3
|
| 756 |
VLA-UNK-f2612802-1_2
|
|
CNC(=O)C[N@]1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−7.0
± 0.6
|
| 757 |
VLA-UNK-f2612802-1_2
|
|
CNC(=O)C[N@@]1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−7.0
± 0.6
|
| 758 |
VLA-UNK-e334495f-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5CN([C@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−6.9
± 0.8
|
| 759 |
VLA-UNK-e334495f-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5CN([C@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−6.9
± 0.8
|
| 760 |
EDJ-MED-b6c6ee2b-4_1
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.9
± 0.7
|
| 761 |
PET-UNK-94036022-4_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−6.9
± 0.6
|
| 762 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−6.9
± 0.4
|
| 763 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−6.9
± 0.4
|
| 764 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−6.9
± 0.4
|
| 765 |
MAT-POS-e75f6e44-6_1
|
|
CNC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.9
± 0.2
|
| 766 |
MAT-POS-e75f6e44-6_1
|
|
CNC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.9
± 0.2
|
| 767 |
MAT-POS-e75f6e44-6_1
|
|
CNC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.9
± 0.2
|
| 768 |
EDJ-MED-40e596c8-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−6.8
± 0.4
|
| 769 |
EDJ-MED-40e596c8-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−6.8
± 0.4
|
| 770 |
EDJ-MED-dfa1d800-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCCC6)c7cc(ccc7C2=O)Cl |
−6.8
± 0.4
|
| 771 |
EDJ-MED-dfa1d800-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+]6CCCC6)c7cc(ccc7C2=O)Cl |
−6.8
± 0.4
|
| 772 |
EDJ-MED-dfa1d800-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl |
−6.8
± 0.4
|
| 773 |
VLA-UNK-f2612802-3_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−6.8
± 0.5
|
| 774 |
VLA-UNK-f2612802-3_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−6.8
± 0.5
|
| 775 |
EDJ-MED-40e596c8-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−6.8
± 0.5
|
| 776 |
EDJ-MED-40e596c8-2_2
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−6.8
± 0.5
|
| 777 |
EDJ-MED-4138fde9-4_1
|
|
CNC(=O)C1(CC1)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−6.7
± 0.6
|
| 778 |
EDJ-MED-4138fde9-4_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−6.7
± 0.6
|
| 779 |
EDJ-MED-4138fde9-4_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−6.7
± 0.6
|
| 780 |
EDJ-MED-4138fde9-4_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−6.7
± 0.6
|
| 781 |
EDJ-MED-8bb691af-6_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.8
|
| 782 |
EDJ-MED-8bb691af-6_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.8
|
| 783 |
EDJ-MED-dfa1d800-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl |
−6.7
± 0.4
|
| 784 |
EDJ-MED-dfa1d800-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCOCC6)c7cc(ccc7C2=O)Cl |
−6.7
± 0.4
|
| 785 |
EDJ-MED-dfa1d800-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+]6CCOCC6)c7cc(ccc7C2=O)Cl |
−6.7
± 0.4
|
| 786 |
EDJ-MED-dfa1d800-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl |
−6.7
± 0.4
|
| 787 |
VLA-UNK-e334495f-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.6
|
| 788 |
VLA-UNK-e334495f-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.6
|
| 789 |
MAT-POS-566864e2-3_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
| 790 |
MAT-POS-566864e2-3_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
| 791 |
MAT-POS-566864e2-3_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.7
± 0.3
|
| 792 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
| 793 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.7
± 0.3
|
| 794 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
| 795 |
ALP-POS-ecbed2ba-3_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.6
± 0.9
|
| 796 |
ALP-POS-ecbed2ba-3_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−6.6
± 0.9
|
| 797 |
LUO-POS-f7b1afe6-4_2
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−6.6
± 0.3
|
| 798 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.6
± 0.3
|
| 799 |
ALP-POS-477dc5b7-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−6.6
± 0.3
|
| 800 |
VLA-UNK-3a43cd95-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl |
−6.6
± 0.2
|