| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 1001 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.0
± 0.8
|
| 1002 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
2.1
± 0.7
|
| 1003 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
2.1
± 0.7
|
| 1004 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
2.1
± 0.7
|
| 1005 |
MAT-POS-be048f2c-8_1
|
|
CCCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
2.1
± 0.7
|
| 1006 |
MAT-POS-be048f2c-8_1
|
|
CCCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
2.1
± 0.7
|
| 1007 |
PET-UNK-94036022-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
2.2
± 0.9
|
| 1008 |
PET-UNK-94036022-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
2.2
± 0.9
|
| 1009 |
PET-UNK-c6bcc80b-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl |
2.2
± 0.8
|
| 1010 |
PET-UNK-c6bcc80b-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl |
2.2
± 0.8
|
| 1011 |
MIK-ENA-17e27e9c-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
2.2
± 1.0
|
| 1012 |
MIK-ENA-17e27e9c-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
2.2
± 1.0
|
| 1013 |
MIC-UNK-257d841f-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3C[C@@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CC7 |
2.3
± 0.7
|
| 1014 |
MIC-UNK-257d841f-2_1
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CC7 |
2.3
± 0.7
|
| 1015 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(=O)NC)Cl |
2.4
± 0.6
|
| 1016 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
2.4
± 0.6
|
| 1017 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
2.4
± 0.6
|
| 1018 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(=O)NC)Cl |
2.4
± 0.6
|
| 1019 |
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 |
2.6
± 0.7
|
| 1020 |
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 |
2.6
± 0.7
|
| 1021 |
ALP-POS-ecbed2ba-21_1
|
|
C[N@@](CCOC)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
2.8
± 1.0
|
| 1022 |
ALP-POS-ecbed2ba-21_1
|
|
C[N@](CCOC)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.8
± 1.0
|
| 1023 |
EDJ-MED-3707c4bc-2_1
|
|
CC(C)(C)CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
2.9
± 0.9
|
| 1024 |
EDJ-MED-3707c4bc-2_1
|
|
CC(C)(C)CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.9
± 0.9
|
| 1025 |
EDJ-MED-b6c6ee2b-3_1
|
|
COc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
2.9
± 0.7
|
| 1026 |
EDJ-MED-b6c6ee2b-3_1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
2.9
± 0.7
|
| 1027 |
ALP-POS-ecbed2ba-22_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N |
2.9
± 0.7
|
| 1028 |
ALP-POS-ecbed2ba-22_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N |
2.9
± 0.7
|
| 1029 |
EDJ-MED-9f4ac58c-7_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl |
2.9
± 0.8
|
| 1030 |
EDJ-MED-9f4ac58c-7_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl |
2.9
± 0.8
|
| 1031 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
3.0
± 0.7
|
| 1032 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
3.0
± 0.7
|
| 1033 |
EDJ-MED-468565e0-2_1
|
|
c1cc2c[nH+]cc(c2cc1OCCN3CCOCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3
± 1
|
| 1034 |
EDJ-MED-468565e0-2_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CCOCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3
± 1
|
| 1035 |
EDJ-MED-468565e0-2_1
|
|
c1cc2c[nH+]cc(c2cc1OCC[NH+]3CCOCC3)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3
± 1
|
| 1036 |
EDJ-MED-468565e0-2_1
|
|
c1cc2cncc(c2cc1OCCN3CCOCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3
± 1
|
| 1037 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
3.4
± 1.0
|
| 1038 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
3.4
± 1.0
|
| 1039 |
EDJ-MED-468565e0-5_1
|
|
c1cc2c[nH+]cc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3.4
± 1.0
|
| 1040 |
EDJ-MED-468565e0-5_1
|
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3.4
± 1.0
|
| 1041 |
EDJ-MED-468565e0-5_1
|
|
c1cc2cncc(c2cc1OCC[NH+]3CC(C3)(F)F)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3.4
± 1.0
|
| 1042 |
EDJ-MED-5cd3920d-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F |
3.5
± 0.8
|
| 1043 |
EDJ-MED-5cd3920d-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F |
3.5
± 0.8
|
| 1044 |
LUO-POS-e1dab717-12_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
3.7
± 0.9
|
| 1045 |
LUO-POS-e1dab717-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
3.7
± 0.9
|
| 1046 |
EDJ-MED-4138fde9-2_1
|
|
c1cc2c[nH+]cc(c2cc1OCCNCC(F)(F)F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
3.8
± 0.8
|
| 1047 |
EDJ-MED-4138fde9-2_1
|
|
c1cc2cncc(c2cc1OCCNCC(F)(F)F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
3.8
± 0.8
|
| 1048 |
ALP-POS-c3a90b22-9_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
4.1
± 0.6
|
| 1049 |
ALP-POS-c3a90b22-9_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
4.1
± 0.6
|
| 1050 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
4
± 1
|
| 1051 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
4
± 1
|
| 1052 |
MAT-POS-853c0ffa-9_1
|
|
C[NH+](C)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
4.2
± 0.9
|
| 1053 |
MAT-POS-853c0ffa-9_1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
4.2
± 0.9
|
| 1054 |
MAT-POS-853c0ffa-9_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
4.2
± 0.9
|
| 1055 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
4.5
± 0.8
|
| 1056 |
EDJ-MED-7587a9ee-3_1
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
4.5
± 0.8
|
| 1057 |
LUO-POS-e1dab717-16_1
|
|
CC1(C[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5c[nH+]cc6c5cccc6)C |
4.6
± 0.9
|
| 1058 |
LUO-POS-e1dab717-16_1
|
|
CC1(C[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6)C |
4.6
± 0.9
|
| 1059 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
4.6
± 0.6
|
| 1060 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
4.6
± 0.6
|
| 1061 |
MAT-POS-1a788f51-3_1
|
|
CC(C)NCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
5
± 1
|
| 1062 |
MAT-POS-1a788f51-3_1
|
|
CC(C)NCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
5
± 1
|
| 1063 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
5.3
± 0.9
|
| 1064 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
5.3
± 0.9
|
| 1065 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
5.5
± 0.8
|
| 1066 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
5.5
± 0.8
|
| 1067 |
EDJ-MED-ee81482e-4_1
|
|
c1cc2c[nH+]cc(c2cc1OC3CCNCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
5.5
± 1.0
|
| 1068 |
EDJ-MED-ee81482e-4_1
|
|
c1cc2cncc(c2cc1OC3CCNCC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
5.5
± 1.0
|
| 1069 |
ALP-POS-ecbed2ba-19_1
|
|
C[N@@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
5.6
± 1.0
|
| 1070 |
ALP-POS-ecbed2ba-19_1
|
|
C[N@](CCO)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
5.6
± 1.0
|
| 1071 |
PET-UNK-c6bcc80b-11_1
|
|
CS(=O)(=O)Nc1cc2c[nH+]cc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
6.4
± 0.9
|
| 1072 |
PET-UNK-c6bcc80b-11_1
|
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
6.4
± 0.9
|
| 1073 |
EDJ-MED-4138fde9-7_1
|
|
CN1CC(C1)(CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl)C#N |
6.5
± 0.9
|
| 1074 |
EDJ-MED-4138fde9-7_1
|
|
CN1CC(C1)(CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C#N |
6.5
± 0.9
|
| 1075 |
EDJ-MED-4138fde9-7_1
|
|
C[NH+]1CC(C1)(CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C#N |
6.5
± 0.9
|
| 1076 |
MAT-POS-50a80394-2_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
6.9
± 0.9
|
| 1077 |
MAT-POS-50a80394-2_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
6.9
± 0.9
|
| 1078 |
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 |
7.7
± 0.8
|
| 1079 |
EDJ-MED-dfa1d800-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCCC6)c7cc(ccc7C2=O)Cl |
7.7
± 0.8
|
| 1080 |
EDJ-MED-dfa1d800-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl |
7.7
± 0.8
|
| 1081 |
MIK-ENA-edcfce18-1_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
7.9
± 0.8
|
| 1082 |
MIK-ENA-edcfce18-1_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
7.9
± 0.8
|
| 1083 |
EDJ-MED-4138fde9-1_1
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
9
± 1
|
| 1084 |
EDJ-MED-4138fde9-1_1
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
9
± 1
|
| 1085 |
MIK-ENA-e143773d-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
9.0
± 0.5
|
| 1086 |
MIK-ENA-e143773d-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
9.0
± 0.5
|
| 1087 |
MIK-ENA-2c0ad173-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
10.6
± 0.5
|
| 1088 |
MIK-ENA-2c0ad173-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
10.6
± 0.5
|