| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4101 |
MAT-POS-a3f7f96a-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]34CC[C@H](O3)c5c4ccc(c5)Cl |
−4.8
± 0.3
|
| 4102 |
ALP-POS-347519b5-2_18
|
|
CO[C@]1(C[N@@](C[C@@H]2[C@@H]1[C@H]3CC[C@@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−4.8
± 0.5
|
| 4103 |
ED_-GRI-5b13fbe2-31_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[N@H+]5CCNC(=O)C5 |
−4.8
± 0.7
|
| 4104 |
CHE-UNK-1fcbaeee-2_2
|
|
C=CC(=O)c1cccc(c1)N(c2cncc3c2cccc3)C(=O)[C@H]4CCOc5c4cccc5 |
−4.8
± 0.3
|
| 4105 |
ALP-POS-347519b5-1_19
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−4.8
± 0.2
|
| 4106 |
ALF-EVA-650655fc-4_6
|
|
C[N@H+]1CC[C@@H](C1)CCN(c2cc(cc(c2)Cl)O[C@H]3CC(=O)N3)C(=O)Nc4cncc5c4cccc5 |
−4.79
± 0.10
|
| 4107 |
BEN-BAS-5c03e89e-1_4
|
|
CC(C)([C@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−4.8
± 0.2
|
| 4108 |
MAT-POS-4223bc15-9_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CCC[C@@H]5O |
−4.8
± 0.3
|
| 4109 |
MAT-POS-bbbbc21a-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl |
−4.8
± 0.2
|
| 4110 |
DAR-DIA-4987d2cd-3_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3c4cc(ccc4CN3c5c(c(=O)c5=O)N)Cl |
−4.8
± 0.6
|
| 4111 |
ALF-EVA-07677224-7_1
|
|
COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.8
± 0.3
|
| 4112 |
EDG-MED-90036822-23_1
|
|
C[C@@H](CCc1c(n[nH]n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)[NH3+] |
−4.8
± 0.8
|
| 4113 |
PET-UNK-1320d94d-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 |
−4.8
± 0.2
|
| 4114 |
EDG-MED-ba1ac7b9-21_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5Cn6ccnc6 |
−4.77
± 0.09
|
| 4115 |
RAL-THA-05e671eb-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)C#N |
−4.8
± 0.5
|
| 4116 |
DAR-DIA-f6ee7aeb-3_1
|
|
CCCOc1cc(cc(c1)Cl)[C@@H]2CC(=O)N(C[C@@H]2c3ccccc3C#N)c4cncc5c4cccc5 |
−4.8
± 0.2
|
| 4117 |
BEN-DND-f2e727cd-5_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[NH2+]Cc4c3cc(cc4)Cl |
−4.76
± 0.10
|
| 4118 |
ALP-POS-93b3621f-4_1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)C(F)(F)F |
−4.8
± 0.3
|
| 4119 |
MAT-POS-e6dd326d-12_2
|
|
CNC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.8
± 0.4
|
| 4120 |
MAT-POS-dc2604c4-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N |
−4.8
± 0.3
|
| 4121 |
MIC-UNK-d854bf4c-3_1
|
|
CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−4.8
± 0.2
|
| 4122 |
MAT-POS-5f1400cf-1_1
|
|
Cn1cc(cn1)N2CC[C@@H](C2)C[NH2+]C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.76
± 0.09
|
| 4123 |
EDG-MED-ba1ac7b9-19_4
|
|
C[C@H]1c2nncn2CCN1C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.76
± 0.08
|
| 4124 |
ERI-UCB-b3e6b0c2-6_1
|
|
c1cc2cncc(c2cc1CN3CC[NH2+]CC3)NC(=O)[C@@H]4COc5c4cc(cc5)Cl |
−4.8
± 0.3
|
| 4125 |
MAT-POS-dc2604c4-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CCC#N |
−4.8
± 0.3
|
| 4126 |
MAT-POS-5f1400cf-1_3
|
|
Cn1cc(cn1)N2CC[C@H](C2)C[NH2+]C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.75
± 0.10
|
| 4127 |
ALP-POS-5bb456a5-1_9
|
|
C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.75
± 0.10
|
| 4128 |
EDJ-MED-841e0cf0-8_2
|
|
C[C@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−4.7
± 0.5
|
| 4129 |
ED_-GRI-5b13fbe2-62_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCOC5C[NH2+]C5 |
−4.7
± 0.5
|
| 4130 |
EDG-MED-90036822-51_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CCF)O |
−4.7
± 0.4
|
| 4131 |
EDG-MED-90036822-108_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@H](CC5CC5)O)F |
−4.7
± 0.4
|
| 4132 |
MIC-UNK-ea4eb352-12_2
|
|
CO[C@]1(CCSc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.2
|
| 4133 |
EDG-MED-90036822-12_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)/C=C/C[N@H+]5CC[C@H]5C(=O)N |
−4.7
± 0.6
|
| 4134 |
ALP-POS-347519b5-2_21
|
|
CO[C@@]1(C[N@@](C[C@H]2[C@@H]1[C@H]3CC[C@@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−4.7
± 0.2
|
| 4135 |
EDG-MED-90036822-74_3
|
|
C[N@@H+]1C[C@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−4.7
± 0.5
|
| 4136 |
KAD-UNI-80f122c8-4_1
|
|
CCN1CC[NH+](CC1)C2CN(C2)C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.7
± 0.3
|
| 4137 |
DAR-DIA-0d514e7d-31_1
|
|
C[C@@H]1CCO[C@@H]2C=CC(=C[C@@H]2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−4.7
± 0.3
|
| 4138 |
ALP-UNI-3735e77e-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)F |
−4.7
± 0.6
|
| 4139 |
MAT-POS-4223bc15-10_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC(C5)C#N |
−4.7
± 0.2
|
| 4140 |
EDJ-MED-1b5395f9-4_4
|
|
CS(=O)(=O)[N@]1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl |
−4.7
± 0.2
|
| 4141 |
MIC-UNK-89b52b17-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4C[N@@]5[C@@H]3CCS5(=O)=O)Cl |
−4.7
± 0.4
|
| 4142 |
ALF-EVA-07677224-7_3
|
|
COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.7
± 0.5
|
| 4143 |
MIC-UNK-d58dbb53-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCS(=O)(=O)C5 |
−4.7
± 0.3
|
| 4144 |
ALP-POS-e4f7337d-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)[NH2+]C[C@H]5CC[C@@H](O5)C(=O)N6CCCC6 |
−4.7
± 0.4
|
| 4145 |
MAT-POS-8293a91a-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.7
± 0.2
|
| 4146 |
PET-UNK-1320d94d-11_1
|
|
CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N[C@H](c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.3
|
| 4147 |
ALF-EVA-0b412456-4_1
|
|
CCc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 |
−4.72
± 0.09
|
| 4148 |
DAR-DIA-0d514e7d-32_21
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@@H]4C[C@H]4CO[C@@H]5[C@H]3C=C(C=C5)Cl |
−4.7
± 0.3
|
| 4149 |
MIC-UNK-7574fcc6-2_2
|
|
c1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3cncc4c3c(cc(c4)F)F |
−4.7
± 0.2
|
| 4150 |
MAT-POS-4223bc15-34_4
|
|
Cn1ccnc1[N@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.7
± 0.4
|
| 4151 |
EDJ-MED-ee07cf00-1_2
|
|
Cn1c(=O)ccn(c1=O)CC(=O)N[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.71
± 0.06
|
| 4152 |
ALP-UNI-0676e700-26_1
|
|
Cn1cc(c(=O)[nH]c1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.7
± 0.3
|
| 4153 |
EDG-MED-ba1ac7b9-5_2
|
|
CC[C@H](CO)[NH+]1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.7
± 0.3
|
| 4154 |
ALF-EVA-07677224-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)c5ccc(s5)F |
−4.7
± 0.2
|
| 4155 |
MAT-POS-4223bc15-27_2
|
|
CC(C)(C[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)O |
−4.7
± 0.4
|
| 4156 |
MAT-POS-24589f88-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@@H]6CCCO6 |
−4.71
± 0.10
|
| 4157 |
MAK-UNK-c749d764-2_2
|
|
CC[C@H]1CCC[C@@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−4.7
± 0.2
|
| 4158 |
PET-UNK-b78139fa-16_1
|
|
CO[C@]1(CS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−4.7
± 0.4
|
| 4159 |
MAT-POS-24589f88-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)N6CCNC(=O)C6 |
−4.71
± 0.10
|
| 4160 |
EDG-MED-90036822-65_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[NH+](C5)CCF |
−4.7
± 0.8
|
| 4161 |
MAT-POS-fce787c2-7_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)[NH3+] |
−4.7
± 0.3
|
| 4162 |
MAT-POS-8293a91a-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−4.7
± 0.4
|
| 4163 |
ALP-UNI-8e43a71e-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)Cc6n[n-]nn6 |
−4.7
± 0.2
|
| 4164 |
MIC-UNK-cdc2493e-14_3
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@@H]4CC[C@H](C4)[NH+]5CCCCC5 |
−4.7
± 0.4
|
| 4165 |
EDJ-MED-4c7486ba-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−4.7
± 0.4
|
| 4166 |
EDJ-MED-827e7cb4-2_2
|
|
CNS(=O)(=O)N1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.7
± 0.5
|
| 4167 |
EDG-MED-90036822-34_1
|
|
COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.4
|
| 4168 |
MAT-POS-78e1d523-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(c(c4)Cl)Cl |
−4.7
± 0.2
|
| 4169 |
EDG-MED-ba1ac7b9-6_1
|
|
CC(C)N(CC#N)C(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.3
|
| 4170 |
MIC-UNK-54748b58-3_4
|
|
CNC(=O)C[N@]1C[C@H](c2cc(c(cc2S1(=O)=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.4
|
| 4171 |
KAD-UNI-877d7bed-14_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCC(=O)CCNC(=O)C(F)(F)F)Cl |
−4.7
± 0.5
|
| 4172 |
VLA-UNK-56836b69-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O |
−4.7
± 0.3
|
| 4173 |
DAR-DIA-f6ee7aeb-4_3
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@H](CC3=O)c4cc(cc(c4)Cl)OCCC(F)(F)F)c5c[nH]c(=O)[nH]c5=O |
−4.7
± 0.3
|
| 4174 |
EDJ-MED-4c7486ba-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 |
−4.7
± 0.6
|
| 4175 |
ED_-GRI-5b13fbe2-66_4
|
|
C[N@H+]1CCO[C@H](C1)c2ncc(cn2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.7
± 0.5
|
| 4176 |
LEE-CAM-7ab9b158-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CN6C[C@H](O5)CCC6=O |
−4.7
± 0.6
|
| 4177 |
EDJ-MED-d1555997-2_2
|
|
Cc1cccc2c1c(cnc2)NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C |
−4.7
± 0.3
|
| 4178 |
MAT-POS-4223bc15-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CNC5 |
−4.7
± 0.2
|
| 4179 |
EDG-MED-ba1ac7b9-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5c6n[n-]nn6 |
−4.67
± 0.10
|
| 4180 |
DAR-DIA-0587064e-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCc4ccc(cc4Cl)F |
−4.7
± 0.2
|
| 4181 |
MIC-UNK-ea4eb352-2_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.4
|
| 4182 |
EDJ-MED-923a35c2-5_2
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−4.7
± 0.4
|
| 4183 |
ALP-POS-a577c8a2-2_3
|
|
C[N@@]1C[C@H](c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.7
± 0.3
|
| 4184 |
RAL-THA-e002e396-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)N5CCOCC5 |
−4.7
± 0.1
|
| 4185 |
EDG-MED-ba1ac7b9-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5c6c[nH]nc6 |
−4.65
± 0.10
|
| 4186 |
JAG-UCB-571deb56-2_1
|
|
CS(=O)(=O)Cc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−4.6
± 0.3
|
| 4187 |
EDJ-MED-96f6b92c-1_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@](C3=O)(c4cccc(c4)Cl)O |
−4.6
± 0.4
|
| 4188 |
DAR-DIA-ecdbc7dd-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)Cn5cnc6c5cccc6 |
−4.6
± 0.3
|
| 4189 |
BRU-THA-73c97d88-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)C=N3 |
−4.6
± 0.3
|
| 4190 |
EDJ-MED-15e90dfc-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNc5ccn[nH]5 |
−4.6
± 0.2
|
| 4191 |
EDG-MED-ba1ac7b9-25_8
|
|
C[C@H]1CN(CC[N@H+]1CCO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.63
± 0.06
|
| 4192 |
ALP-UNI-8e43a71e-15_27
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]6[C@H]5C[C@H](C6)C(=O)N |
−4.6
± 0.2
|
| 4193 |
KAD-UNI-80f122c8-3_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 |
−4.63
± 0.09
|
| 4194 |
MAT-POS-4223bc15-15_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CNC5 |
−4.6
± 0.4
|
| 4195 |
MIC-UNK-d58dbb53-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)C5 |
−4.6
± 0.1
|
| 4196 |
BEN-DND-c852c98b-7_2
|
|
c1cc2cncc(c2cc1C(F)F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−4.6
± 0.5
|
| 4197 |
DAR-DIA-f6ee7aeb-6_3
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@H](CC3=O)c4cccc(c4)Cl)c5c[nH]c(=O)[nH]c5=O |
−4.6
± 0.3
|
| 4198 |
ALP-UNI-8e43a71e-5_7
|
|
C[C@@H]1C[N@](CC[C@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.6
± 0.2
|
| 4199 |
ROB-UNI-afd54964-1_1
|
|
c1ccc2c(c1)[C@H](CCO2)C(=O)Nc3cncc4c3cc(c(c4)F)F |
−4.6
± 0.3
|
| 4200 |
ROB-CAM-4c532489-1_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c(ccc4)C[NH3+])Cl |
−4.6
± 0.5
|