| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3201 |
EN300-7444533_1_4_1 |
|
C[C@H]1C[C@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.2
|
| 3202 |
EN300-743350_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6(C5)CCNC6=O |
−9.5
± 0.3
|
| 3203 |
EN300-2908024_1_1_1 |
|
CC[C@@](C)(C(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.3
|
| 3204 |
EN300-1627945_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@@H]5CCCOC5 |
−9.5
± 0.2
|
| 3205 |
EDG-MED-ba1ac7b9-20_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CC(F)F |
−9.5
± 0.2
|
| 3206 |
EN300-19542_2_2_1 |
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.5
± 0.3
|
| 3207 |
EN300-296237_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)C(F)(F)F |
−9.5
± 0.5
|
| 3208 |
EN300-1911992_3_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]([C@H]5CCOC5)O |
−9.5
± 0.4
|
| 3209 |
JOH-UNI-f51e3bbc-4_1_1
|
|
COc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.5
± 0.1
|
| 3210 |
MAT-POS-fce787c2-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Cl |
−9.5
± 0.2
|
| 3211 |
EN300-41473_1_1_1 |
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+]5CCOCC5 |
−9.5
± 0.4
|
| 3212 |
DAR-DIA-0d514e7d-32_27
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@H]4C[C@@H]4CO[C@H]5[C@H]3C=C(C=C5)Cl |
−9.5
± 0.2
|
| 3213 |
EN300-6736515_2_1_1 |
|
C[C@@H]([C@@H]1COCCO1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3214 |
EN300-55355_1_2_1 |
|
CNC(=O)[C@H]1CCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3215 |
EDG-MED-ba1ac7b9-14_6
|
|
C[N@]1CCN(C[C@@H]1C#N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3216 |
EN300-220194_2_1_1 |
|
C[C@@H]([C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC |
−9.5
± 0.3
|
| 3217 |
EDJ-MED-ee07cf00-11_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−9.5
± 0.5
|
| 3218 |
EN300-182124_2_1_1 |
|
COC1(CC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3219 |
EN300-67533_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](C5CC5)O |
−9.5
± 0.3
|
| 3220 |
EN300-6499639_3_1_1 |
|
Cc1cc(n(n1)C)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3221 |
EN300-1268016_1_6_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 |
−9.5
± 0.4
|
| 3222 |
EN300-6494693_1_1_1 |
|
CCn1c(ncn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.2
|
| 3223 |
EN300-1708899_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@@H](CCO5)O |
−9.5
± 0.3
|
| 3224 |
EN300-248352_1_1_1 |
|
Cn1c(cc(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.2
|
| 3225 |
MIC-UNK-bcd487e9-9_1
|
|
Cn1cc(nn1)CN(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.4
|
| 3226 |
EN300-1608992_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(C#N)C(=O)N |
−9.5
± 0.3
|
| 3227 |
BEN-DND-c852c98b-4_1_1
|
|
c1cc2cncc(c2cc1O)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.49
± 0.05
|
| 3228 |
EN300-378722_3_2_1 |
|
CN1CC[C@H](C1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3229 |
EN300-94900_2_1_1 |
|
CS(=O)(=O)Cc1nc(on1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.5
|
| 3230 |
EN300-1387104_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS5(=O)=O |
−9.5
± 0.3
|
| 3231 |
EN300-203118_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)F |
−9.5
± 0.3
|
| 3232 |
EDJ-MED-ee07cf00-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)Cc4ccc(cc4)n5cnnn5 |
−9.5
± 0.4
|
| 3233 |
EN300-42269_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnns5 |
−9.5
± 0.3
|
| 3234 |
EN300-6082676_1_4_1 |
|
C[C@H]1C[C@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.2
|
| 3235 |
EN300-105110_4_1_1 |
|
Cc1cc(n[nH]1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3236 |
ED_-GRI-5b13fbe2-56_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5n[n-]nn5 |
−9.5
± 0.3
|
| 3237 |
EN300-43047_1_1_1 |
|
CC(=O)N[C@@H](CC=C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.3
|
| 3238 |
EN300-203118_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CO)F |
−9.5
± 0.3
|
| 3239 |
MAT-POS-281d2ee9-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]ncn4 |
−9.5
± 0.3
|
| 3240 |
LAU-MED-88a3970a-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CCCO)Cl |
−9.5
± 0.2
|
| 3241 |
EN300-04491_3_1_1 |
|
COCCN(CCOC)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.5
|
| 3242 |
EDJ-MED-fcba3f31-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O |
−9.5
± 0.3
|
| 3243 |
EN300-210552_1_1_1 |
|
CC(=O)N1CCC[C@@](C1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.5
± 0.3
|
| 3244 |
EN300-73507_1_1_1 |
|
CC(=O)NCCNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.3
|
| 3245 |
ALP-UNI-dbbfd3db-4_1
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.5
± 0.3
|
| 3246 |
EN300-221518_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO |
−9.5
± 0.3
|
| 3247 |
EN300-221518_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO |
−9.5
± 0.3
|
| 3248 |
EN300-221518_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO |
−9.5
± 0.3
|
| 3249 |
EN300-202922_2_2_1 |
|
C[C@H]([C@@](C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−9.5
± 0.3
|
| 3250 |
EN300-23317_3_1_1 |
|
C[C@@H](C(=O)NCCOC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.4
|
| 3251 |
EN300-149975_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)CO |
−9.5
± 0.3
|
| 3252 |
EN300-1987964_1_1_1 |
|
CS(=O)(=O)Cc1cc(no1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.4
|
| 3253 |
EN300-1664865_3_1_1 |
|
Cn1c2c(nn1)CCC[C@@H]2C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.5
± 0.4
|
| 3254 |
EN300-6494158_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C[C@@H](CO5)CO |
−9.5
± 0.3
|
| 3255 |
EN300-295515_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)O |
−9.5
± 0.3
|
| 3256 |
EN300-55087_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O |
−9.5
± 0.4
|
| 3257 |
EN300-55087_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)N6CCNC6=O |
−9.5
± 0.4
|
| 3258 |
EN300-265285_2_2_1 |
|
C[C@H]1Cn2c(cc(n2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(=O)N1 |
−9.5
± 0.3
|
| 3259 |
EN300-132157_2_2_1 |
|
C[C@]1(CC(=O)NC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3260 |
ALP-UNI-dbbfd3db-6_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H](O5)C(=O)N6CCCC6 |
−9.5
± 0.3
|
| 3261 |
EN300-741822_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[C@H]([C@H](C5)O)O |
−9.5
± 0.2
|
| 3262 |
LEE-CAM-7ab9b158-1_7
|
|
C[NH+](C)[C@@H]1COC[C@H]1OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.4
|
| 3263 |
EN300-188582_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)O |
−9.5
± 0.3
|
| 3264 |
EDG-MED-90036822-53_1
|
|
CCn1cc(nc1)[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−9.5
± 0.3
|
| 3265 |
EN300-28871_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 |
−9.5
± 0.2
|
| 3266 |
EN300-28871_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 |
−9.5
± 0.2
|
| 3267 |
EDG-MED-ba1ac7b9-27_5
|
|
C[C@@H]1C[N@@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−9.5
± 0.6
|
| 3268 |
EN300-6478432_1_1_1 |
|
Cn1c(nn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C6CC6 |
−9.5
± 0.4
|
| 3269 |
EN300-264301_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCC(=O)N5 |
−9.5
± 0.2
|
| 3270 |
EN300-190283_3_1_1 |
|
Cn1cncc1[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.5
± 0.4
|
| 3271 |
EN300-6082676_1_3_1 |
|
C[C@@H]1C[C@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3272 |
EN300-214038_2_2_1 |
|
C[C@H](CN(CCO)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.5
± 0.3
|
| 3273 |
PET-UNK-b87f07d0-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCCNc4nnco4 |
−9.5
± 0.5
|
| 3274 |
EN300-1604607_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)OC6 |
−9.5
± 0.3
|
| 3275 |
EN300-185378_1_1_1 |
|
C[C@@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.5
± 0.3
|
| 3276 |
EN300-43939_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)CC(F)(F)F |
−9.5
± 0.3
|
| 3277 |
EN300-14006_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCS(=O)(=O)C5 |
−9.5
± 0.3
|
| 3278 |
EN300-70033_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]5CO |
−9.5
± 0.3
|
| 3279 |
EN300-100741_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]ncn5 |
−9.5
± 0.3
|
| 3280 |
EN300-96362_1_2_1 |
|
C[C@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O |
−9.5
± 0.3
|
| 3281 |
EN300-124918_2_1_2 |
|
CN1C(=O)N[C@H]([NH2+]1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3282 |
EN300-305996_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)N5 |
−9.5
± 0.2
|
| 3283 |
EN300-332601_1_2_1 |
|
CC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C |
−9.5
± 0.2
|
| 3284 |
EN300-23019_2_1_1 |
|
CC(C)(C)NC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.5
± 0.3
|
| 3285 |
DAR-DIA-9e4459de-13_8
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−9.5
± 0.3
|
| 3286 |
EN300-34542_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5C(=O)N |
−9.5
± 0.4
|
| 3287 |
EDG-MED-90036822-37_2
|
|
C[C@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−9.5
± 0.2
|
| 3288 |
EN300-76205_3_1_1 |
|
CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−9.5
± 0.5
|
| 3289 |
MAT-POS-53907a1c-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−9.46
± 0.10
|
| 3290 |
EN300-31184_1_2_1 |
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C(C)C |
−9.5
± 0.3
|
| 3291 |
EN300-83558_3_1_1 |
|
Cc1ccnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3292 |
EN300-129424_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H]5O |
−9.5
± 0.2
|
| 3293 |
EN300-262204_3_1_1 |
|
CS(=O)(=O)CC1(COC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.5
|
| 3294 |
EN300-182084_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5cscn5 |
−9.5
± 0.3
|
| 3295 |
EN300-54922_2_1_1 |
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3296 |
ED_-GRI-5b13fbe2-50_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@]5(C#N)C(=O)[O-] |
−9.5
± 0.4
|
| 3297 |
ALF-EVA-5b152d2f-3_1
|
|
c1cc2cncc(c2cc1Cl)NC(=O)[C@@H]3CCCOc4c3cc(cc4)Cl |
−9.5
± 0.2
|
| 3298 |
EN300-66770_3_1_1 |
|
CNC(=O)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.5
± 0.3
|
| 3299 |
EN300-68203_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC(=O)N5 |
−9.5
± 0.2
|
| 3300 |
EN300-6494158_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5C[C@@H](CO5)CO |
−9.5
± 0.4
|