| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 301 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.2
± 0.3
|
| 302 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.2
± 0.3
|
| 303 |
PET-UNK-aa57768f-3_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.2
± 0.3
|
| 304 |
PET-UNK-aa57768f-3_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.2
± 0.3
|
| 305 |
MAT-POS-1bed62cf-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.2
± 0.1
|
| 306 |
MAT-POS-1d5ab790-2_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.2
± 0.3
|
| 307 |
MAT-POS-1d5ab790-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.2
± 0.3
|
| 308 |
MAT-POS-e75f6e44-17_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−9.2
± 0.4
|
| 309 |
MAT-POS-e75f6e44-4_2
|
|
CC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.2
|
| 310 |
LUO-POS-e1dab717-10_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.2
± 0.1
|
| 311 |
MIC-UNK-c85ea37c-3_2
|
|
CN(C)c1ccc(cc1)[C@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−9.2
± 0.9
|
| 312 |
MIC-UNK-c85ea37c-3_2
|
|
C[NH+](C)c1ccc(cc1)[C@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−9.2
± 0.9
|
| 313 |
MIC-UNK-c85ea37c-3_2
|
|
CN(C)c1ccc(cc1)[C@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6c[nH+]cc7c6cccc7 |
−9.2
± 0.9
|
| 314 |
VLA-UNK-5d8210f0-2_2
|
|
CNC(=O)C[N@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−9.2
± 0.3
|
| 315 |
ALP-POS-c3a90b22-3_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.1
± 0.3
|
| 316 |
ALP-POS-c3a90b22-3_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.1
± 0.3
|
| 317 |
VLA-UNK-61877630-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−9.1
± 0.3
|
| 318 |
VLA-UNK-61877630-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−9.1
± 0.3
|
| 319 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.2
|
| 320 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.2
|
| 321 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.1
± 0.2
|
| 322 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.1
± 0.4
|
| 323 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.1
± 0.4
|
| 324 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.1
± 0.4
|
| 325 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−9.1
± 0.7
|
| 326 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−9.1
± 0.7
|
| 327 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−9.1
± 0.7
|
| 328 |
MAT-POS-b4d6b7fc-6_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.1
± 0.6
|
| 329 |
MAT-POS-b4d6b7fc-6_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.1
± 0.6
|
| 330 |
EDJ-MED-cc48ee33-3_1
|
|
Cn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.4
|
| 331 |
EDJ-MED-cc48ee33-3_1
|
|
Cn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.1
± 0.4
|
| 332 |
LUO-POS-868e8996-8_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.1
± 0.1
|
| 333 |
MAT-POS-1bed62cf-2_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.1
± 0.1
|
| 334 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.0
± 0.3
|
| 335 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.0
± 0.3
|
| 336 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.0
± 0.3
|
| 337 |
ALP-POS-ecbed2ba-14_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−9.0
± 0.3
|
| 338 |
VLA-UNK-8e615992-4_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.0
± 0.2
|
| 339 |
VLA-UNK-8e615992-4_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.0
± 0.2
|
| 340 |
LUO-POS-9931618f-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
| 341 |
LUO-POS-9931618f-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
| 342 |
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 |
−9.0
± 0.7
|
| 343 |
MAT-POS-50a80394-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−9.0
± 0.7
|
| 344 |
ALP-POS-c3a90b22-2_2
|
|
CNC(=O)C1(CCC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.2
|
| 345 |
ALP-POS-c3a90b22-1_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.0
± 0.4
|
| 346 |
ALP-POS-c3a90b22-1_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.0
± 0.4
|
| 347 |
MAT-POS-c7726e07-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.0
± 0.3
|
| 348 |
JOH-MSK-4bb3d434-1_1
|
|
COC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
| 349 |
JOH-MSK-4bb3d434-1_1
|
|
COC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
| 350 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−9.0
± 0.2
|
| 351 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−9.0
± 0.2
|
| 352 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)C#N |
−9.0
± 0.2
|
| 353 |
PET-UNK-aa57768f-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.9
± 0.2
|
| 354 |
PET-UNK-aa57768f-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.9
± 0.2
|
| 355 |
EDJ-MED-8bb691af-8_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.9
± 0.3
|
| 356 |
EDJ-MED-8bb691af-8_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.9
± 0.3
|
| 357 |
12_-111-3e02a1cd-1_1 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 |
−8.9
± 0.4
|
| 358 |
EDJ-MED-6b23330e-7_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)N |
−8.9
± 0.2
|
| 359 |
EDJ-MED-6b23330e-7_1
|
|
CC(C)(CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)N |
−8.9
± 0.2
|
| 360 |
EDJ-MED-6b23330e-7_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)N |
−8.9
± 0.2
|
| 361 |
EDJ-MED-33064c06-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.9
± 0.3
|
| 362 |
EDJ-MED-33064c06-18_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.9
± 0.3
|
| 363 |
EDJ-MED-33064c06-11_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.9
± 0.3
|
| 364 |
EDJ-MED-33064c06-11_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.9
± 0.3
|
| 365 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.9
± 0.2
|
| 366 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.9
± 0.2
|
| 367 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.9
± 0.2
|
| 368 |
MIK-ENA-bb7b6957-1_1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.9
± 0.9
|
| 369 |
MIK-ENA-bb7b6957-1_1
|
|
COc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.9
± 0.9
|
| 370 |
VLA-UNK-3bd6fc51-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−8.9
± 0.3
|
| 371 |
MAT-POS-38eb6498-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−8.9
± 0.4
|
| 372 |
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 |
−8.9
± 0.4
|
| 373 |
MAT-POS-e75f6e44-13_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−8.9
± 0.4
|
| 374 |
EDJ-MED-b6c6ee2b-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−8.9
± 0.5
|
| 375 |
EDJ-MED-b6c6ee2b-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−8.9
± 0.5
|
| 376 |
EDJ-MED-b6c6ee2b-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−8.9
± 0.5
|
| 377 |
EDG-MED-b1ef7fe3-3_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl |
−8.9
± 0.1
|
| 378 |
EDJ-MED-9f4ac58c-6_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.8
± 0.5
|
| 379 |
EDJ-MED-9f4ac58c-6_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.8
± 0.5
|
| 380 |
PET-UNK-77d5678a-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]co6 |
−8.8
± 0.3
|
| 381 |
MAT-POS-b4d6b7fc-6_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−8.8
± 0.3
|
| 382 |
MAT-POS-69786b79-2_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.8
± 0.3
|
| 383 |
VLA-UNK-5d8210f0-5_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@H]1C(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.8
± 0.4
|
| 384 |
VLA-UNK-5d8210f0-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3([C@H]1C(F)F)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−8.8
± 0.4
|
| 385 |
LUO-POS-e1dab717-5_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl |
−8.8
± 0.4
|
| 386 |
MAT-POS-be048f2c-6_1
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.4
|
| 387 |
MAT-POS-be048f2c-6_1
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.8
± 0.4
|
| 388 |
LUO-POS-e1dab717-3_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−8.8
± 0.3
|
| 389 |
MAT-POS-566864e2-3_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.3
|
| 390 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.2
|
| 391 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.2
|
| 392 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.7
± 0.2
|
| 393 |
MAT-POS-576f7758-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.3
|
| 394 |
LUO-POS-e1dab717-3_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−8.7
± 0.2
|
| 395 |
LUO-POS-e1dab717-3_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−8.7
± 0.2
|
| 396 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−8.7
± 0.3
|
| 397 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−8.7
± 0.3
|
| 398 |
MAT-POS-566864e2-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−8.7
± 0.3
|
| 399 |
MAT-POS-853c0ffa-16_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−8.7
± 0.1
|
| 400 |
LUO-POS-e1dab717-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.3
|