| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4201 |
EDG-MED-ba1ac7b9-15_5
|
|
C[C@@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−4.62
± 0.08
|
| 4202 |
PET-UNK-c65ea24c-1_2
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)C#N |
−4.6
± 0.2
|
| 4203 |
DAR-DIA-0d514e7d-33_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4O[C@H]5[C@H]3C5)Cl |
−4.6
± 0.2
|
| 4204 |
LON-WEI-4d77710c-12_1
|
|
CCOC(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−4.6
± 0.1
|
| 4205 |
ALP-POS-347519b5-3_7
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@H]3CC[C@@H]([C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−4.6
± 0.3
|
| 4206 |
DAR-DIA-e7614d05-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC(F)(F)F |
−4.6
± 0.4
|
| 4207 |
PET-UNK-bcc8fd08-3_1
|
|
[2H]C([2H])([2H])O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F |
−4.6
± 0.3
|
| 4208 |
KAD-UNI-877d7bed-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCC(=O)c5ccc(cc5)S(=O)(=O)N)Cl |
−4.6
± 0.2
|
| 4209 |
MAT-POS-4223bc15-32_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)c5[nH]ccn5 |
−4.6
± 0.3
|
| 4210 |
VLA-UNK-f702bf1c-6_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 |
−4.6
± 0.3
|
| 4211 |
EDJ-MED-fa7708b3-3_4
|
|
Cc1[nH]nc(n1)C[N@H+]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.6
± 0.3
|
| 4212 |
EDG-MED-90036822-63_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(F)F |
−4.6
± 0.5
|
| 4213 |
EDG-MED-5d232de5-6_2
|
|
CN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.60
± 0.09
|
| 4214 |
VLA-UNK-f702bf1c-5_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 |
−4.6
± 0.3
|
| 4215 |
EDJ-MED-d203f206-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cnncn5 |
−4.6
± 0.4
|
| 4216 |
MAT-POS-3b97339c-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−4.6
± 0.3
|
| 4217 |
PET-UNK-9b23ef84-4_1
|
|
CO[C@]1(CN(Cc2c1cc(cc2)Cl)c3nnco3)C(=O)Nc4cncc5c4cccc5 |
−4.6
± 0.3
|
| 4218 |
ALF-EVA-07677224-9_4
|
|
CC1(C[NH2+]C1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.6
± 0.4
|
| 4219 |
MIC-UNK-ea4eb352-6_4
|
|
CO[C@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.6
± 0.3
|
| 4220 |
DAR-DIA-ecdbc7dd-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC5 |
−4.6
± 0.4
|
| 4221 |
ALP-POS-a577c8a2-3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](S(=O)(=O)c4c3cc(cc4)Cl)Cc5[nH]ccn5 |
−4.6
± 0.3
|
| 4222 |
EDG-MED-ba1ac7b9-24_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(F)(F)F)C5COC5 |
−4.6
± 0.2
|
| 4223 |
MAT-POS-4223bc15-11_7
|
|
C[C@@H]1CC[N@](C1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.58
± 0.10
|
| 4224 |
ALP-UNI-8e43a71e-5_8
|
|
C[C@H]1C[N@](CC[C@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.6
± 0.1
|
| 4225 |
PET-UNK-1320d94d-24_1
|
|
CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 |
−4.6
± 0.3
|
| 4226 |
DAR-DIA-9e4459de-11_5
|
|
c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−4.6
± 0.5
|
| 4227 |
MIC-UNK-6e9f8a43-2_2
|
|
CS[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.6
± 0.4
|
| 4228 |
EDG-MED-ba1ac7b9-26_4
|
|
C[C@@H]1C[N@H+]([C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C)CCO |
−4.6
± 0.2
|
| 4229 |
MAT-POS-61f37a1a-15_2
|
|
Cn1c(nc2c1c(=O)[nH]c(=O)n2C)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.57
± 0.09
|
| 4230 |
EDJ-MED-ee07cf00-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N |
−4.57
± 0.07
|
| 4231 |
EDG-MED-90036822-94_1
|
|
C[C@@H]1C[C@@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−4.6
± 0.5
|
| 4232 |
EDG-MED-90036822-98_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[N@@]5CC(F)F |
−4.6
± 0.5
|
| 4233 |
MAT-POS-96f51285-5_2
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@H]3CCOc4c3cc(c(c4)F)Cl |
−4.56
± 0.09
|
| 4234 |
PET-UNK-03fd2068-11_2
|
|
CO[C@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)F |
−4.6
± 0.3
|
| 4235 |
ED_-GRI-5b13fbe2-49_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](C[NH3+])c5cn(nn5)CC6CC6 |
−4.6
± 0.4
|
| 4236 |
ROB-UNI-6ee2df8c-1_1
|
|
c1cc2cncc(c2cc1Cl)NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)Cl |
−4.6
± 0.3
|
| 4237 |
EDG-MED-90036822-39_1
|
|
C[C@@H](CO)NCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−4.5
± 0.4
|
| 4238 |
MAT-POS-8293a91a-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−4.5
± 0.3
|
| 4239 |
PET-UNK-9b23ef84-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)c5nnco5 |
−4.5
± 0.3
|
| 4240 |
DAR-DIA-0d514e7d-8_1
|
|
C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N |
−4.5
± 0.3
|
| 4241 |
JOH-UNI-ea72002d-4_3
|
|
c1ccc2c(c1)cncc2[C@@](C(=O)[C@H]3CCOc4c3cc(cc4)Cl)(N5C(=O)C=CC5=O)F |
−4.5
± 0.3
|
| 4242 |
MAT-POS-4223bc15-11_8
|
|
C[C@H]1CC[N@](C1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−4.54
± 0.10
|
| 4243 |
MAT-POS-4223bc15-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CCO |
−4.5
± 0.3
|
| 4244 |
EDJ-MED-923a35c2-3_3
|
|
C[C@@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.5
± 0.4
|
| 4245 |
MIC-UNK-ea4eb352-8_1
|
|
CO[C@@]1(CCSc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.3
|
| 4246 |
CHE-UNK-1fcbaeee-2_1
|
|
C=CC(=O)c1cccc(c1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cccc5 |
−4.5
± 0.2
|
| 4247 |
MAT-POS-b5746674-100_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O |
−4.5
± 0.3
|
| 4248 |
KAD-UNI-877d7bed-1_4
|
|
c1ccc(cc1)[C@](COc2cc(cc3c2OCC[C@H]3C(=O)Nc4cncc5c4cccc5)Cl)(C(=O)N)O |
−4.5
± 0.1
|
| 4249 |
LON-WEI-5e7d1b3e-47_1
|
|
CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C |
−4.5
± 0.6
|
| 4250 |
EDJ-MED-923a35c2-2_4
|
|
CO[C@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.5
± 0.4
|
| 4251 |
ALP-UNI-76695c4f-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F |
−4.5
± 0.3
|
| 4252 |
EDJ-MED-827e7cb4-3_2
|
|
CNC(=O)CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.5
± 0.4
|
| 4253 |
ALP-UNI-3496895b-3_1
|
|
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.5
± 0.3
|
| 4254 |
MAT-POS-dc2604c4-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N |
−4.5
± 0.3
|
| 4255 |
PET-UNK-8c422e11-2_1
|
|
CCC(c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)(F)F |
−4.5
± 0.5
|
| 4256 |
MIC-UNK-cdc2493e-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4C[C@H]5CCCC[C@H]5C4 |
−4.5
± 0.3
|
| 4257 |
MAT-POS-e9e99895-7_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)Cc4ccc(cc4)n5cnnn5 |
−4.50
± 0.09
|
| 4258 |
PET-UNK-bcc8fd08-4_2
|
|
[2H]C([2H])([2H])O[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.3
|
| 4259 |
ALF-EVA-82cf4849-6_1
|
|
CNc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
−4.5
± 0.2
|
| 4260 |
EDG-MED-90036822-20_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cnc[nH]5)F |
−4.5
± 0.5
|
| 4261 |
ALP-POS-f1807566-2_2
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@H]3CNC(=O)c4c3cc(cc4)Cl |
−4.5
± 0.2
|
| 4262 |
MIC-UNK-16ccb665-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC(F)F |
−4.5
± 0.3
|
| 4263 |
RAL-THA-05e671eb-18_2
|
|
Cc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−4.5
± 0.4
|
| 4264 |
EDG-MED-90036822-62_1
|
|
C[NH+](C)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.4
|
| 4265 |
JOH-UNI-ee5ed7c8-5_1
|
|
CN(c1cncc2c1c(ccc2)C(=O)C#C)C(=O)Cc3cccc(c3)Cl |
−4.5
± 0.4
|
| 4266 |
MAT-POS-24589f88-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(cc5)S(=O)(=O)N |
−4.49
± 0.10
|
| 4267 |
EDG-MED-90036822-56_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC#N |
−4.5
± 0.5
|
| 4268 |
EDJ-MED-670ad2ee-5_2
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 |
−4.5
± 0.6
|
| 4269 |
MAK-UNK-c749d764-29_1
|
|
c1ccc2c(c1)cncc2N(C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F)C(=O)ON |
−4.5
± 0.2
|
| 4270 |
KAD-UNI-cb0f2bbc-4_1
|
|
Cn1c(c(c(=O)n(c1=O)C)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)N6CCCCC6 |
−4.5
± 0.1
|
| 4271 |
EDG-MED-90036822-21_1
|
|
C[NH+](C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.5
|
| 4272 |
RAL-THA-e002e396-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)c5ccccn5 |
−4.5
± 0.2
|
| 4273 |
EDG-MED-90036822-94_12
|
|
C[C@H]1C[C@H]1[C@@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−4.5
± 0.5
|
| 4274 |
VLA-UNK-9a7dc93f-6_2
|
|
CO[C@H](c1ccc(c(c1)Cl)F)C(=O)Nc2cncc3c2cccc3 |
−4.5
± 0.3
|
| 4275 |
RAL-THA-05e671eb-17_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4F)Cl |
−4.5
± 0.6
|
| 4276 |
KAD-UNI-8a629cb0-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc(sc5)S(=O)(=O)N |
−4.5
± 0.4
|
| 4277 |
EDG-MED-ba1ac7b9-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5CO |
−4.5
± 0.3
|
| 4278 |
DAR-DIA-0d514e7d-32_19
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@H]4C[C@@H]4CO[C@@H]5[C@H]3C=C(C=C5)Cl |
−4.5
± 0.4
|
| 4279 |
JOH-UNI-a38a7bdd-6_2
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)[C@H]4C[C@@H]4C(F)(F)F |
−4.5
± 0.4
|
| 4280 |
MAT-POS-4223bc15-16_11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@@]5CCC[C@H]5CO |
−4.5
± 0.3
|
| 4281 |
MAT-POS-4223bc15-16_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC[C@@H]5CO |
−4.5
± 0.3
|
| 4282 |
PET-UNK-49566573-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC(=O)N5CCC5 |
−4.5
± 0.2
|
| 4283 |
RAL-THA-8416115c-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5ccn[nH]5 |
−4.46
± 0.08
|
| 4284 |
BEN-DND-d1eb1f41-3_1
|
|
c1cc2cncc(c2cc1[C@@H](CO)O)NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl |
−4.5
± 0.3
|
| 4285 |
ED_-GRI-5b13fbe2-44_1
|
|
Cc1c(nnn1CC(CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F)C[NH3+] |
−4.5
± 0.6
|
| 4286 |
PET-UNK-1b92fa34-6_1
|
|
CO[C@]1(CS(=O)(=O)Cc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F |
−4.5
± 0.3
|
| 4287 |
MAT-POS-89e65850-1_2
|
|
CO[C@]1(CC(=O)Nc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.2
|
| 4288 |
MIC-UNK-5d22d78d-2_1
|
|
CC(=CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C |
−4.5
± 0.2
|
| 4289 |
VLA-MRT-a639d434-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−4.5
± 0.3
|
| 4290 |
DAR-DIA-0587064e-19_2
|
|
c1ccc(cc1)COc2cc(cc3c2OCC[C@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−4.45
± 0.07
|
| 4291 |
PET-UNK-9b23ef84-2_1
|
|
CC(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.5
± 0.4
|
| 4292 |
ALF-EVA-07677224-3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C(C#N)(F)F |
−4.5
± 0.2
|
| 4293 |
ALF-EVA-82cf4849-1_1
|
|
CNc1cc2c(cc1Cl)[C@@H](CCN2)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.4
|
| 4294 |
ALP-POS-fe871b40-8_1
|
|
CO[C@@]1(CCNc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.5
± 0.3
|
| 4295 |
ALP-POS-347519b5-3_56
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@H]3CC[C@@H]([C@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−4.5
± 0.3
|
| 4296 |
ALF-EVA-b701bd13-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(c(n4)Cl)Cl |
−4.5
± 0.3
|
| 4297 |
MAT-POS-4223bc15-22_2
|
|
COC(=O)C[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.45
± 0.09
|
| 4298 |
DAR-DIA-6be260fc-6_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@]4(C3=O)CNc5c4cc(cc5)Cl |
−4.4
± 0.6
|
| 4299 |
PET-UNK-3bb57da2-3_1
|
|
COCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.4
± 0.3
|
| 4300 |
MAT-POS-89e65850-2_1
|
|
COC1=Nc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl |
−4.4
± 0.5
|