| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 201 |
EDJ-MED-fd8ed875-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(C=CN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.3
± 0.1
|
| 202 |
EDJ-MED-7d88f880-2_2
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)[S@](=N)(=O)C)c6cc(ccc6C2=O)Cl |
−8.3
± 0.2
|
| 203 |
MAT-POS-38eb6498-1_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.3
± 0.5
|
| 204 |
VLA-UNK-56836b69-3_1
|
|
CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−8.3
± 0.1
|
| 205 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.3
± 0.1
|
| 206 |
PET-UNK-94036022-14_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−8.3
± 0.3
|
| 207 |
PET-UNK-aa57768f-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.23
± 0.09
|
| 208 |
PET-UNK-aa57768f-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.21
± 0.09
|
| 209 |
VLA-UNK-3a43cd95-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl |
−8.15
± 0.09
|
| 210 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.1
± 0.3
|
| 211 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.1
± 0.2
|
| 212 |
EDJ-MED-8bb691af-6_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.3
|
| 213 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.0
± 0.1
|
| 214 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.1
|
| 215 |
MAT-POS-853c0ffa-15_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.0
± 0.3
|
| 216 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.0
± 0.6
|
| 217 |
EDJ-MED-fd8ed875-3_1
|
|
CNC(=O)CN1C[C@]2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.0
± 0.1
|
| 218 |
VLA-UNK-61877630-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−8.0
± 0.1
|
| 219 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(ccn1)C(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.9
± 0.1
|
| 220 |
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 |
−7.9
± 0.4
|
| 221 |
BRU-THA-73c97d88-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)C=N3 |
−7.92
± 0.07
|
| 222 |
JOH-MSK-1f2dff76-1_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.9
± 0.3
|
| 223 |
MAT-POS-50a80394-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.9
± 0.3
|
| 224 |
BRU-THA-55eab31a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCNc5c4cc(cc5)Cl)C=N3 |
−7.86
± 0.09
|
| 225 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.2
|
| 226 |
MAT-POS-853c0ffa-22_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−7.8
± 0.3
|
| 227 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.8
± 0.2
|
| 228 |
PET-UNK-94036022-13_1
|
|
C=C1C(=O)[C@]2(C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−7.8
± 0.4
|
| 229 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.8
± 0.2
|
| 230 |
BEN-BAS-c2bc0d80-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)CN3 |
−7.79
± 0.09
|
| 231 |
JOH-MSK-1f2dff76-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.8
± 0.3
|
| 232 |
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 |
−7.7
± 0.3
|
| 233 |
JOH-MSK-b735e33c-1_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 |
−7.7
± 0.2
|
| 234 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.7
± 0.4
|
| 235 |
ALP-POS-4483ae88-2_1
|
|
CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.6
± 0.2
|
| 236 |
VLA-UNK-61877630-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−7.6
± 0.1
|
| 237 |
MAT-POS-853c0ffa-7_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−7.5
± 0.3
|
| 238 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.5
± 0.2
|
| 239 |
LUO-POS-ed2cfb03-1_1
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.6
|
| 240 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−7.5
± 0.3
|
| 241 |
VLA-UNK-61877630-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−7.4
± 0.3
|
| 242 |
EDJ-MED-b6c6ee2b-1_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl |
−7.4
± 0.4
|
| 243 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.4
± 0.2
|
| 244 |
VLA-MRT-a639d434-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.4
± 0.2
|
| 245 |
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 |
−7.3
± 0.4
|
| 246 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−7.3
± 0.1
|
| 247 |
LUO-POS-b5068a05-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N |
−7.3
± 0.3
|
| 248 |
VLA-UNK-f2612802-3_1
|
|
CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−7.3
± 0.2
|
| 249 |
EDJ-MED-ede5c6cb-2_1
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CC[C@@]5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−7.2
± 0.2
|
| 250 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−7.2
± 0.1
|
| 251 |
PET-UNK-77d5678a-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−7.2
± 0.2
|
| 252 |
VLA-MRT-8c78ee15-3_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
| 253 |
MAT-POS-38eb6498-3_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl |
−7.2
± 0.4
|
| 254 |
MAT-POS-1bed62cf-3_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
| 255 |
ALP-POS-41e2080f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.1
± 0.1
|
| 256 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−7.1
± 0.2
|
| 257 |
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 |
−7.1
± 0.4
|
| 258 |
MAT-POS-50a80394-7_1
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−7.1
± 0.2
|
| 259 |
VLA-MRT-8c78ee15-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.1
± 0.2
|
| 260 |
EDJ-MED-8bb691af-9_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.1
± 0.2
|
| 261 |
VLA-UNK-61877630-6_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.1
± 0.2
|
| 262 |
ALP-POS-4483ae88-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−7.1
± 0.1
|
| 263 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−7.1
± 0.5
|
| 264 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
| 265 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.0
± 0.1
|
| 266 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.0
± 0.2
|
| 267 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.0
± 0.1
|
| 268 |
EDJ-MED-8bb691af-5_1
|
|
c1ccc2c(c1)cncc2N3C[C@]4(CC3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.0
± 0.4
|
| 269 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−7.0
± 0.2
|
| 270 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.9
± 0.2
|
| 271 |
PET-UNK-94036022-6_1
|
|
C=C1C(=O)[C@]2(C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−6.9
± 0.4
|
| 272 |
MAT-POS-50a80394-8_1
|
|
CC1(CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−6.9
± 0.5
|
| 273 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
−6.9
± 0.2
|
| 274 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.9
± 0.2
|
| 275 |
MAT-POS-853c0ffa-17_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−6.8
± 0.3
|
| 276 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.8
± 0.2
|
| 277 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−6.8
± 0.2
|
| 278 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.2
|
| 279 |
MAT-POS-853c0ffa-18_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.7
± 0.3
|
| 280 |
EDJ-MED-94fddcec-5_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.7
± 0.1
|
| 281 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.7
± 0.2
|
| 282 |
ALP-POS-ecbed2ba-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−6.7
± 0.2
|
| 283 |
EDJ-MED-159244ea-3_1
|
|
c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O |
−6.6
± 0.1
|
| 284 |
ALP-POS-afe0272e-1_1
|
|
CNC(=O)C[N@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−6.6
± 0.2
|
| 285 |
EDJ-MED-5cd3920d-6_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−6.6
± 0.4
|
| 286 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.6
± 0.2
|
| 287 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.5
± 0.2
|
| 288 |
VLA-MRT-a639d434-1_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−6.5
± 0.2
|
| 289 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.4
± 0.2
|
| 290 |
JOH-MSK-51c67e7d-1_1
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.42
± 0.09
|
| 291 |
JOH-MSK-51c67e7d-2_1
|
|
C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.4
± 0.1
|
| 292 |
ALP-POS-ecbed2ba-1_1
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.5
|
| 293 |
EDJ-MED-d7486dd1-1_1
|
|
Cc1cc(cc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C |
−6.4
± 0.2
|
| 294 |
VLA-UNK-61877630-3_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−6.4
± 0.2
|
| 295 |
EDJ-MED-94fddcec-6_1
|
|
C[N@](c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C |
−6.4
± 0.2
|
| 296 |
MAT-POS-853c0ffa-8_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.3
± 0.3
|
| 297 |
VLA-MRT-a639d434-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−6.3
± 0.2
|
| 298 |
EDJ-MED-a6bab6fb-1_1
|
|
Cc1cccc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
| 299 |
EDJ-MED-e78d5f1a-1_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−6.3
± 0.1
|
| 300 |
VLA-MRT-8c78ee15-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−6.2
± 0.2
|