| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 5301 |
EN300-45398_1_2_1 |
|
CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−8.4
± 0.4
|
| 5302 |
EN300-341337_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]56CCO[C@@H]5CCOC6 |
−8.4
± 0.3
|
| 5303 |
EN300-1265949_3_1_1 |
|
C[C@@H](C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.4
|
| 5304 |
EN300-686903_3_1_1 |
|
CCCCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.4
|
| 5305 |
EN300-370967_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCN5CCOC5=O |
−8.4
± 0.4
|
| 5306 |
EN300-761618_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5cccnn5 |
−8.4
± 0.3
|
| 5307 |
EN300-6729572_2_7_1 |
|
C[C@@H]([C@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.4
± 0.2
|
| 5308 |
EN300-6735698_2_1_1 |
|
CCNC(=O)C1(CC1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
| 5309 |
EN300-1915260_4_1_1 |
|
COC[C@@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.4
± 0.4
|
| 5310 |
RAL-THA-2d450e86-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)F |
−8.4
± 0.3
|
| 5311 |
EN300-6481960_2_1_1 |
|
Cn1c(c2c(n1)CCOC2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.4
± 0.4
|
| 5312 |
EN300-48902_2_1_1 |
|
CNC(=O)[C@@H]1CCCN1C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.4
|
| 5313 |
EN300-736753_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCC(=O)N5 |
−8.4
± 0.2
|
| 5314 |
EDG-MED-ba1ac7b9-11_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5c6c[nH]nc6 |
−8.4
± 0.3
|
| 5315 |
DAR-DIA-0cde14eb-49_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)I |
−8.4
± 0.4
|
| 5316 |
ADA-UCB-6c2cb422-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl |
−8.37
± 0.09
|
| 5317 |
MAT-POS-e9e99895-9_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COc4ccc(cc4)C(=O)N |
−8.4
± 0.4
|
| 5318 |
EN300-7443878_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCOCC5)O |
−8.4
± 0.3
|
| 5319 |
EN300-82179_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC(=O)N |
−8.4
± 0.2
|
| 5320 |
MAT-POS-e9e99895-8_3
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@](C)(c3ccc(c(c3)Cl)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.5
|
| 5321 |
ED_-GRI-5b13fbe2-69_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@@H]5[NH3+] |
−8.4
± 0.2
|
| 5322 |
EDG-MED-90036822-47_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C |
−8.4
± 0.3
|
| 5323 |
EN300-379533_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)O |
−8.4
± 0.3
|
| 5324 |
EN300-76574_2_1_1 |
|
C[C@@H](CS(=O)(=O)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.3
|
| 5325 |
EN300-325729_1_2_1 |
|
COC[C@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.4
± 0.3
|
| 5326 |
VLA-UCB-29506327-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O |
−8.36
± 0.09
|
| 5327 |
EDG-MED-ba1ac7b9-4_8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CC[C@H](C6)O |
−8.4
± 0.4
|
| 5328 |
EN300-1440100_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6(C5)CC(=O)NC6 |
−8.4
± 0.3
|
| 5329 |
EN300-311920_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCS(=O)(=O)C5)F |
−8.4
± 0.4
|
| 5330 |
EN300-741926_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)F)O |
−8.4
± 0.3
|
| 5331 |
MIC-UNK-5a93dd5f-7_2
|
|
CC(=O)N(C)[C@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.4
|
| 5332 |
MAT-POS-e9e99895-2_8
|
|
CC(C)[N@H+]1CCO[C@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.6
|
| 5333 |
EN300-317555_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5[NH2+]CCO5 |
−8.4
± 0.4
|
| 5334 |
EDG-MED-971238d3-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O |
−8.4
± 0.1
|
| 5335 |
EN300-72211_4_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](C5CC5)O |
−8.4
± 0.4
|
| 5336 |
EN300-100700_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](NC(=O)C5)CO |
−8.4
± 0.3
|
| 5337 |
EDJ-MED-ee07cf00-4_4
|
|
C[C@H](C(=O)N[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 |
−8.4
± 0.5
|
| 5338 |
EN300-253187_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5COCO5 |
−8.4
± 0.3
|
| 5339 |
ALF-EVA-5b152d2f-7_1
|
|
c1cc2cncc(c2cc1C3CCC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−8.36
± 0.08
|
| 5340 |
EN300-22879_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCCC[C@@H]5C(=O)N |
−8.4
± 0.3
|
| 5341 |
EN300-250120_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCS(=O)(=O)CC5 |
−8.4
± 0.3
|
| 5342 |
MIC-UNK-91acba05-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl |
−8.4
± 0.2
|
| 5343 |
RAL-THA-2d450e86-29_1
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−8.4
± 0.3
|
| 5344 |
MAT-POS-bbbbc21a-1_1
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−8.4
± 0.2
|
| 5345 |
DAR-DIA-0d514e7d-26_1
|
|
C[C@@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 |
−8.4
± 0.3
|
| 5346 |
EN300-7457160_3_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@@H](ON5)CC6(COC6)O |
−8.4
± 0.5
|
| 5347 |
EN300-60049_1_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5C[N@H+]6CCC[C@H]6CO5 |
−8.4
± 0.4
|
| 5348 |
EN300-258477_2_1_1 |
|
C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−8.3
± 0.2
|
| 5349 |
MIC-UNK-5a93dd5f-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4 |
−8.3
± 0.4
|
| 5350 |
EDG-MED-ba1ac7b9-5_3
|
|
CC[C@@H](CO)[NH+]1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.5
|
| 5351 |
EN300-151756_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(cn5)nc[nH]c6=O |
−8.3
± 0.3
|
| 5352 |
EN300-99391_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@H]5CCOC5 |
−8.3
± 0.3
|
| 5353 |
EDG-MED-90036822-75_2
|
|
C[N@H+]1C[C@@H](C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−8.3
± 0.4
|
| 5354 |
MAK-UNK-c749d764-15_9
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F)OCC4CCCCC4 |
−8.3
± 0.5
|
| 5355 |
EN300-132615_3_1_1 |
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−8.3
± 0.3
|
| 5356 |
EN300-1699871_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)N5 |
−8.3
± 0.3
|
| 5357 |
EN300-6482296_2_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 |
−8.3
± 0.4
|
| 5358 |
EN300-7463161_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)n6cnnc6 |
−8.3
± 0.3
|
| 5359 |
EN300-261210_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)C#N |
−8.3
± 0.3
|
| 5360 |
ALP-UNI-3496895b-9_2
|
|
C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−8.3
± 0.4
|
| 5361 |
EN300-1238839_2_1_1 |
|
CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5362 |
EN300-1238839_2_1_1 |
|
CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5363 |
EN300-1238839_2_1_1 |
|
CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5364 |
EN300-111006_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccncn5 |
−8.3
± 0.2
|
| 5365 |
EN300-77464_4_1_1 |
|
C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.3
± 0.3
|
| 5366 |
MAK-UNK-c749d764-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−8.3
± 0.3
|
| 5367 |
EN300-187060_1_1_1 |
|
Cn1nc(nn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
| 5368 |
EN300-249764_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C5CCC5)O |
−8.3
± 0.3
|
| 5369 |
ED_-GRI-5b13fbe2-66_2
|
|
C[N@H+]1CCO[C@@H](C1)c2ncc(cn2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.3
± 0.3
|
| 5370 |
EN300-7443878_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O |
−8.3
± 0.4
|
| 5371 |
BEN-BAS-5c03e89e-1_3
|
|
CC(C)([C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−8.3
± 0.3
|
| 5372 |
EN300-325737_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccccn6nn5 |
−8.3
± 0.2
|
| 5373 |
RAL-THA-2d450e86-28_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3C#N)Cl |
−8.3
± 0.3
|
| 5374 |
EDJ-MED-e4b030d8-8_1
|
|
Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−8.33
± 0.07
|
| 5375 |
DAR-DIA-0d514e7d-19_1
|
|
C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
| 5376 |
EN300-98038_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5[NH2+]NC(=O)N5 |
−8.3
± 0.3
|
| 5377 |
RAL-THA-2d450e86-24_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3Cl)Cl |
−8.3
± 0.2
|
| 5378 |
EN300-27341_3_1_1 |
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.4
|
| 5379 |
MAK-UNK-c749d764-26_6
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCCC[C@@H]([C@H]3O)Cl |
−8.3
± 0.3
|
| 5380 |
EN300-35450_1_1_1 |
|
CC(C)N(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5381 |
EN300-35450_1_1_1 |
|
CC(C)N(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5382 |
EN300-65978_3_1_1 |
|
Cn1cc(cn1)CN(C)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.5
|
| 5383 |
EN300-97758_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCF |
−8.3
± 0.3
|
| 5384 |
MAT-POS-8a69d52e-2_1
|
|
C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.32
± 0.09
|
| 5385 |
MAK-UNK-8be7dca9-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3c4cc(ccc4OC[C@@H]3C[NH3+])Cl |
−8.3
± 0.4
|
| 5386 |
EN300-6479181_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 |
−8.3
± 0.2
|
| 5387 |
EN300-741822_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@H]([C@H](C5)O)O |
−8.3
± 0.3
|
| 5388 |
EN300-73582_1_1_1 |
|
CCS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.3
|
| 5389 |
RAL-THA-05e671eb-28_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)F |
−8.32
± 0.07
|
| 5390 |
KAD-UNI-80f122c8-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC56CC(C5)(CO6)C(=O)N |
−8.3
± 0.3
|
| 5391 |
EN300-135735_1_1_1 |
|
CN(CCn1cncn1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
| 5392 |
EN300-219020_2_1_1 |
|
Cn1ncc(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
| 5393 |
RAL-THA-2d450e86-8_1
|
|
Cc1ccc(cc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−8.3
± 0.3
|
| 5394 |
EN300-1987964_2_1_2 |
|
CS(=O)(=O)C[C@H]1CC(=NO1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.2
|
| 5395 |
EN300-269525_1_1_1 |
|
C[C@@H]1[NH2+]N(C(=O)N1C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.3
|
| 5396 |
EN300-317555_4_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5[NH2+]CCO5 |
−8.3
± 0.5
|
| 5397 |
EN300-7438575_2_1_1 |
|
C[C@@H]([C@@H]1[C@H]2COC[C@H]2ON1)NC(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.3
± 0.3
|
| 5398 |
EN300-70064_4_1_1 |
|
CNC(=O)C1(CCC1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.3
± 0.4
|
| 5399 |
EDJ-MED-e4b030d8-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl |
−8.3
± 0.2
|
| 5400 |
EN300-68794_2_1_1 |
|
CS(=O)(=O)CCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|