| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 301 |
ALP-POS-c3a90b22-2_2
|
|
CNC(=O)C1(CCC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.3
|
| 302 |
PET-UNK-94036022-2_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.5
± 0.7
|
| 303 |
PET-UNK-94036022-2_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.7
|
| 304 |
MAT-POS-e75f6e44-7_1
|
|
C[NH+](C)C1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.8
|
| 305 |
MAT-POS-e75f6e44-7_1
|
|
C[NH+](C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.8
|
| 306 |
MAT-POS-e75f6e44-7_1
|
|
CN(C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.8
|
| 307 |
MAT-POS-e75f6e44-7_1
|
|
C[NH+](C)C1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.5
± 0.8
|
| 308 |
EDJ-MED-7d88f880-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3ccc(c4)[S@](=N)(=O)C)c5cc(ccc5C1=O)Cl |
−9.5
± 0.4
|
| 309 |
EDJ-MED-7d88f880-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3ccc(c4)[S@](=N)(=O)C)c5cc(ccc5C1=O)Cl |
−9.5
± 0.4
|
| 310 |
EDJ-MED-9f4ac58c-6_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.5
± 0.7
|
| 311 |
EDJ-MED-9f4ac58c-6_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.5
± 0.7
|
| 312 |
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 |
−9.5
± 0.8
|
| 313 |
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 |
−9.5
± 0.8
|
| 314 |
MIK-ENA-60569a44-1_1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.5
± 0.8
|
| 315 |
MIK-ENA-60569a44-1_1
|
|
COc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.5
± 0.8
|
| 316 |
EDJ-MED-b6c6ee2b-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−9.5
± 0.6
|
| 317 |
EDJ-MED-b6c6ee2b-5_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−9.5
± 0.6
|
| 318 |
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 |
−9.5
± 0.6
|
| 319 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−9.4
± 0.6
|
| 320 |
EDJ-MED-d4864bdc-4_1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−9.4
± 0.6
|
| 321 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−9.4
± 0.6
|
| 322 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.4
± 0.4
|
| 323 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.4
± 0.4
|
| 324 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.4
± 0.4
|
| 325 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.4
|
| 326 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.4
|
| 327 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.4
|
| 328 |
ALP-POS-ecbed2ba-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−9.4
± 0.4
|
| 329 |
ALP-POS-ecbed2ba-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−9.4
± 0.4
|
| 330 |
ALP-POS-ecbed2ba-14_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−9.4
± 0.4
|
| 331 |
MAT-POS-566864e2-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.4
± 0.3
|
| 332 |
MAT-POS-566864e2-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.4
± 0.3
|
| 333 |
MAT-POS-566864e2-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.4
± 0.3
|
| 334 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.4
± 0.3
|
| 335 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.4
± 0.3
|
| 336 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.4
± 0.3
|
| 337 |
VLA-UNK-3bd6fc51-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−9.4
± 0.3
|
| 338 |
EDJ-MED-33064c06-16_2
|
|
COC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.4
± 0.6
|
| 339 |
EDG-MED-b1ef7fe3-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−9.4
± 0.4
|
| 340 |
EDG-MED-b1ef7fe3-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−9.4
± 0.4
|
| 341 |
EDJ-MED-6b23330e-3_2
|
|
CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−9.4
± 0.4
|
| 342 |
LUO-POS-e1dab717-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.3
± 0.3
|
| 343 |
LUO-POS-868e8996-8_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.3
± 0.1
|
| 344 |
EDJ-MED-6b23330e-5_2
|
|
CC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.3
± 0.2
|
| 345 |
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 |
−9.3
± 0.9
|
| 346 |
MIK-ENA-bb7b6957-1_1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.3
± 0.9
|
| 347 |
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 |
−9.3
± 0.1
|
| 348 |
EDG-MED-b1ef7fe3-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−9.2
± 0.1
|
| 349 |
EDJ-MED-a12e3a20-1_1
|
|
c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.2
± 0.8
|
| 350 |
MAT-POS-e75f6e44-6_2
|
|
CNC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.7
|
| 351 |
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 |
−9.2
± 0.1
|
| 352 |
EDJ-MED-6b23330e-6_1
|
|
CC(C)(CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−9.2
± 0.5
|
| 353 |
EDJ-MED-6b23330e-6_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−9.2
± 0.5
|
| 354 |
EDJ-MED-6b23330e-6_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)F |
−9.2
± 0.5
|
| 355 |
MAT-POS-69786b79-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
| 356 |
EDJ-MED-33064c06-7_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
|
| 357 |
MAT-POS-566864e2-3_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
| 358 |
MAT-POS-e75f6e44-10_2
|
|
COC1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.5
|
| 359 |
ALP-POS-c3a90b22-4_2
|
|
CNC(=O)C1(COC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.4
|
| 360 |
MAT-POS-e75f6e44-15_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.2
± 0.4
|
| 361 |
LUO-POS-e1dab717-4_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)Cl)c6cc(ccc6C2=O)Cl |
−9.2
± 0.3
|
| 362 |
EDJ-MED-976a33d5-2_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
|
| 363 |
LUO-POS-ed2cfb03-1_1
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9
± 1
|
| 364 |
LUO-POS-ed2cfb03-1_1
|
|
CN1CCN(CC1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9
± 1
|
| 365 |
LUO-POS-ed2cfb03-1_1
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9
± 1
|
| 366 |
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 |
−9.1
± 0.1
|
| 367 |
MAT-POS-566864e2-4_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.3
|
| 368 |
JOH-MSK-1f2dff76-2_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−9.1
± 0.3
|
| 369 |
PET-UNK-77d5678a-3_1
|
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.1
± 0.3
|
| 370 |
PET-UNK-77d5678a-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.1
± 0.2
|
| 371 |
PET-UNK-77d5678a-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.1
± 0.2
|
| 372 |
MAT-POS-853c0ffa-20_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)C(C)(C)O)Cl |
−9.1
± 0.9
|
| 373 |
MAT-POS-853c0ffa-20_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl |
−9.1
± 0.9
|
| 374 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−9.1
± 0.4
|
| 375 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−9.1
± 0.4
|
| 376 |
MAT-POS-50a80394-6_4
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.1
± 0.4
|
| 377 |
MAT-POS-be048f2c-5_1
|
|
CCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.2
|
| 378 |
MAT-POS-be048f2c-5_1
|
|
CCn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.1
± 0.2
|
| 379 |
LUO-POS-868e8996-9_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.1
± 0.8
|
| 380 |
MAT-POS-50a80394-7_2
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−9.0
± 0.3
|
| 381 |
MAT-POS-e75f6e44-18_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.0
± 0.5
|
| 382 |
MAT-POS-576f7758-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.3
|
| 383 |
PET-UNK-94036022-14_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−9.0
± 0.3
|
| 384 |
EDJ-MED-33064c06-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.0
± 0.2
|
| 385 |
EDJ-MED-33064c06-9_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.0
± 0.2
|
| 386 |
MAT-POS-e75f6e44-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−9.0
± 0.5
|
| 387 |
EDJ-MED-a12e3a20-2_1
|
|
CNC(=O)CN1C[C@@]2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 |
−9.0
± 0.4
|
| 388 |
EDJ-MED-5cd3920d-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl |
−9.0
± 0.5
|
| 389 |
EDJ-MED-5cd3920d-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl |
−9.0
± 0.5
|
| 390 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.0
± 0.3
|
| 391 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.0
± 0.3
|
| 392 |
PET-UNK-7e9559de-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.0
± 0.3
|
| 393 |
MAT-POS-1bed62cf-2_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.1
|
| 394 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.6
|
| 395 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.6
|
| 396 |
MAT-POS-e75f6e44-4_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.0
± 0.6
|
| 397 |
VLA-UNK-8e615992-4_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.9
± 0.4
|
| 398 |
VLA-UNK-8e615992-4_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.9
± 0.4
|
| 399 |
MAT-POS-50a80394-4_4
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.9
± 0.4
|
| 400 |
EDJ-MED-7e491f08-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 |
−8.9
± 0.4
|