| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3301 |
MAT-POS-ec6d90b7-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−5.71
± 0.09
|
| 3302 |
MAT-POS-a5ef2d74-2_1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−5.71
± 0.10
|
| 3303 |
MIC-UNK-d854bf4c-8_2
|
|
CS(=O)(=O)N1CCC2(CC1)CCN(C(=O)[C@H]2c3ccc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−5.7
± 0.3
|
| 3304 |
CHE-UNK-1fcbaeee-3_2
|
|
C=CC(=O)c1ccc(cc1)N(c2cncc3c2cccc3)C(=O)[C@H]4CCOc5c4cccc5 |
−5.7
± 0.2
|
| 3305 |
EDG-MED-90036822-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C[NH3+])F |
−5.7
± 0.4
|
| 3306 |
KAD-UNI-877d7bed-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCCC(=O)N5CCOCC5)Cl |
−5.7
± 0.2
|
| 3307 |
ALF-EVA-650655fc-5_1
|
|
C[NH2+]Cc1ccc2cncc(c2c1)NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−5.7
± 0.2
|
| 3308 |
EDG-MED-90036822-109_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@H+]5CC[C@@H](C5)F |
−5.7
± 0.5
|
| 3309 |
MAK-UNK-c749d764-22_6
|
|
C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.7
± 0.4
|
| 3310 |
ALP-POS-5bb456a5-1_11
|
|
C[C@@H]1C[N@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.70
± 0.10
|
| 3311 |
EDG-MED-90036822-98_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[N@]5CC(F)F |
−5.7
± 0.6
|
| 3312 |
MAT-POS-61f37a1a-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@@H]6CCOC6 |
−5.70
± 0.10
|
| 3313 |
EDJ-MED-d1555997-2_3
|
|
Cc1cccc2c1c(cnc2)NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C |
−5.7
± 0.2
|
| 3314 |
RAL-THA-05e671eb-5_1
|
|
Cc1ccc2c(c1)[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4 |
−5.7
± 0.3
|
| 3315 |
EDG-MED-ba1ac7b9-27_5
|
|
C[C@@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−5.69
± 0.08
|
| 3316 |
FRA-DIA-6238d354-2_2
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C |
−5.7
± 0.2
|
| 3317 |
MAT-POS-4223bc15-26_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)CC(F)(F)F |
−5.7
± 0.1
|
| 3318 |
MAT-POS-a3f7f96a-7_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cnn(c5)[C@H]6CCS(=O)(=O)C6 |
−5.7
± 0.2
|
| 3319 |
ALP-UNI-8e43a71e-15_1
|
|
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 |
−5.7
± 0.2
|
| 3320 |
DAR-DIA-0f2f46c9-4_4
|
|
CS(=O)(=O)[N@]1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.7
± 0.2
|
| 3321 |
PET-UNK-49566573-4_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC(=O)N5CCC5 |
−5.7
± 0.2
|
| 3322 |
LON-WEI-5e7d1b3e-27_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCCCC3 |
−5.7
± 0.3
|
| 3323 |
PET-UNK-4dc48bbe-8_1
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4ccc(cc4)Cl)[O-] |
−5.7
± 0.4
|
| 3324 |
MIC-UNK-7574fcc6-2_1
|
|
c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cncc4c3c(cc(c4)F)F |
−5.7
± 0.4
|
| 3325 |
EDG-MED-90036822-33_1
|
|
CO[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−5.7
± 0.4
|
| 3326 |
EDJ-MED-d203f206-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnnn5C6CC6 |
−5.7
± 0.3
|
| 3327 |
RAL-THA-05e671eb-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)C(F)(F)F |
−5.7
± 0.5
|
| 3328 |
ALF-EVA-650655fc-7_3
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC[C@@H]3CCCOC3)c4cc(cc(c4)Cl)O[C@H]5CC(=O)N5 |
−5.68
± 0.07
|
| 3329 |
MIC-UNK-b9827f26-3_1
|
|
c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cc(ccc4Cl)Cl |
−5.7
± 0.2
|
| 3330 |
ALP-POS-347519b5-1_15
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−5.7
± 0.1
|
| 3331 |
VLA-UNK-70dd90ef-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(COc5c4cc(cc5)Cl)NC3=O |
−5.7
± 0.3
|
| 3332 |
VLA-UCB-551c2366-1_1
|
|
CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.7
± 0.2
|
| 3333 |
MAT-POS-4223bc15-9_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCC[C@@H]5O |
−5.7
± 0.2
|
| 3334 |
MIC-UNK-d58dbb53-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCS(=O)(=O)C5 |
−5.7
± 0.2
|
| 3335 |
EDJ-MED-6d9ff7d0-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH2+]Cc5ccccn5 |
−5.7
± 0.2
|
| 3336 |
EDJ-MED-d203f206-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5[C@H](CO)O |
−5.7
± 0.4
|
| 3337 |
DAR-DIA-0cde14eb-59_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)C#N |
−5.7
± 0.2
|
| 3338 |
LON-WEI-5e7d1b3e-33_2
|
|
C[C@H]1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC |
−5.7
± 0.4
|
| 3339 |
VLA-UNK-3a43cd95-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O |
−5.7
± 0.2
|
| 3340 |
EDJ-MED-670ad2ee-3_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−5.7
± 0.3
|
| 3341 |
KAD-UNI-877d7bed-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCCOC5CCS(=O)(=O)CC5)Cl |
−5.7
± 0.2
|
| 3342 |
ERI-UCB-b3e6b0c2-9_2
|
|
C[N@]1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cc(cc4)OCCOC |
−5.7
± 0.2
|
| 3343 |
MIC-UNK-cdc2493e-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC[C@H]3CCCS3(=O)=O)c4cccc(c4)Cl |
−5.7
± 0.3
|
| 3344 |
EDG-MED-ba1ac7b9-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5CO |
−5.7
± 0.4
|
| 3345 |
MAT-POS-5369c344-4_2
|
|
CCCOc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−5.7
± 0.2
|
| 3346 |
MAT-POS-a3f7f96a-9_2
|
|
COc1ccc(cc1OCC(=O)N)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.7
± 0.2
|
| 3347 |
BEN-DND-f2e727cd-3_2
|
|
C[N@]1CCN(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.7
± 0.5
|
| 3348 |
EDG-MED-90036822-97_1
|
|
C[NH+]1CCC(CC1)[C@H](CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−5.7
± 0.4
|
| 3349 |
ALP-UNI-8e43a71e-15_15
|
|
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 |
−5.7
± 0.2
|
| 3350 |
DAR-DIA-0d514e7d-32_29
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@@H]4C[C@H]4CO[C@H]5[C@H]3C=C(C=C5)Cl |
−5.7
± 0.4
|
| 3351 |
PET-UNK-03fd2068-3_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−5.7
± 0.2
|
| 3352 |
RAL-THA-05e671eb-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cccc4 |
−5.7
± 0.4
|
| 3353 |
EDJ-MED-fa7708b3-1_2
|
|
CNS(=O)(=O)C[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.7
± 0.2
|
| 3354 |
DAR-DIA-ecdbc7dd-2_2
|
|
CN1CC[NH+](CC1)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.7
± 0.2
|
| 3355 |
MAT-POS-8a69d52e-6_1
|
|
C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−5.65
± 0.10
|
| 3356 |
MAT-POS-9db1e783-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)O |
−5.65
± 0.06
|
| 3357 |
CHO-MSK-5891c1ff-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F |
−5.7
± 0.3
|
| 3358 |
ED_-GRI-5b13fbe2-34_1
|
|
C[N@@](CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)CC(C(=O)N)(F)F |
−5.7
± 0.4
|
| 3359 |
EDG-MED-90036822-99_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H](C5CCC5)O)F |
−5.7
± 0.5
|
| 3360 |
LON-WEI-5e7d1b3e-53_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC[N@H+](C3)Cc4ccccc4F |
−5.7
± 0.7
|
| 3361 |
EDG-MED-ba1ac7b9-4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CC[C@@H](C6)O |
−5.7
± 0.3
|
| 3362 |
ALP-POS-5bb456a5-1_4
|
|
C[C@H]1C[N@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.65
± 0.10
|
| 3363 |
EDG-MED-90036822-35_1
|
|
c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@@H](F)[C@H]5C[C@H](C5)[NH3+])cc1 |
−5.6
± 0.4
|
| 3364 |
EDJ-MED-15e90dfc-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]C[C@@H]5CCC(=O)N5 |
−5.6
± 0.2
|
| 3365 |
EDJ-MED-6864a934-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnn5CC#N |
−5.6
± 0.4
|
| 3366 |
RAL-THA-05e671eb-19_1
|
|
COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−5.6
± 0.5
|
| 3367 |
VLA-UCB-05e51b3f-11_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl |
−5.6
± 0.2
|
| 3368 |
KAD-UNI-8a629cb0-42_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5CN6C(=O)N |
−5.6
± 0.3
|
| 3369 |
DAR-DIA-f6ee7aeb-2_1
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@@H](CC3=O)c4cc(cc(c4)Cl)OCCC(F)(F)F)c5ccccc5C#N |
−5.6
± 0.2
|
| 3370 |
EDG-MED-10fcb19e-3_2
|
|
CNS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC |
−5.6
± 0.3
|
| 3371 |
JOH-UNI-ea72002d-6_2
|
|
C=CS(=O)(=O)NN(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−5.6
± 0.3
|
| 3372 |
DAR-DIA-0587064e-25_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(cc4OCc5ccc(cc5Cl)F)Cl |
−5.64
± 0.08
|
| 3373 |
RAL-THA-05e671eb-23_1
|
|
COc1cccc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4 |
−5.6
± 0.5
|
| 3374 |
RAL-THA-05e671eb-35_2
|
|
COc1cccc2c1[C@H](CCO2)C(=O)Nc3cncc4c3cccc4 |
−5.6
± 0.7
|
| 3375 |
ALP-POS-64a710fa-2_1
|
|
C[NH+](C)CCCN(Cc1cccs1)C(=O)Cc2cncc3c2cccc3 |
−5.64
± 0.10
|
| 3376 |
MAT-POS-e9e99895-2_6
|
|
CC(C)[N@H+]1CCO[C@@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.63
± 0.10
|
| 3377 |
ED_-GRI-5b13fbe2-64_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)[C@H]6CC[C@H](C6)[NH3+] |
−5.6
± 0.4
|
| 3378 |
ALP-UNI-8e43a71e-9_4
|
|
C[N@@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.6
± 0.2
|
| 3379 |
DAR-DIA-0d514e7d-29_1
|
|
C[C@@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl |
−5.6
± 0.3
|
| 3380 |
ALP-UNI-0676e700-28_1
|
|
Cn1cc(c(=O)n(c1=O)C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.6
± 0.4
|
| 3381 |
MAT-POS-9ff17035-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CCC(=O)N4 |
−5.63
± 0.10
|
| 3382 |
EDJ-MED-fcba3f31-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5[nH]c(=O)[nH]n5 |
−5.6
± 0.3
|
| 3383 |
ALP-UNI-dbbfd3db-12_1
|
|
Cc1c(c(=O)ccn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)[O-] |
−5.6
± 0.4
|
| 3384 |
EDG-MED-90036822-72_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)F |
−5.6
± 0.5
|
| 3385 |
EDJ-MED-d203f206-20_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncncn5 |
−5.6
± 0.3
|
| 3386 |
DAR-DIA-0587064e-6_1
|
|
c1ccc(cc1)CCOc2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4 |
−5.63
± 0.10
|
| 3387 |
DAR-DIA-0d514e7d-32_11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@H]4C[C@@H]4CO[C@H]5[C@@H]3C=C(C=C5)Cl |
−5.6
± 0.3
|
| 3388 |
EDG-MED-90036822-104_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)[C@H]6CC[NH2+]C6 |
−5.6
± 0.4
|
| 3389 |
PET-UNK-4b4f2bb7-5_1
|
|
CO[C@]1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
−5.6
± 0.3
|
| 3390 |
MAT-POS-2905de8c-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH3+] |
−5.6
± 0.3
|
| 3391 |
JIN-POS-6dc588a4-24_1
|
|
c1ccc2c(c1)c(cnc2C#N)NC(=O)Cc3cccc(c3)Cl |
−5.62
± 0.10
|
| 3392 |
PET-UNK-b566c0b0-1_1
|
|
CO[C@]1(CS(=O)(=O)Cc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
−5.6
± 0.2
|
| 3393 |
DAR-DIA-5ff57136-16_2
|
|
C[C@H](C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−5.6
± 0.2
|
| 3394 |
CHO-MSK-a31cca77-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnco5 |
−5.62
± 0.10
|
| 3395 |
EDJ-MED-670ad2ee-10_1
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−5.6
± 0.3
|
| 3396 |
ALP-POS-25b4df59-2_1
|
|
Cc1ccc(cc1)N(Cc2cnc[nH]2)C(=O)Cc3cncc4c3cccc4 |
−5.6
± 0.3
|
| 3397 |
EDG-MED-90036822-94_3
|
|
C[C@@H]1C[C@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−5.6
± 0.5
|
| 3398 |
KAD-UNI-b13decd3-6_1
|
|
CN(CCO)c1ccc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.6
± 0.1
|
| 3399 |
BEN-DND-f2e727cd-6_4
|
|
C[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.62
± 0.10
|
| 3400 |
ALP-POS-f1807566-3_2
|
|
CO[C@]1(CNC(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.6
± 0.2
|