text
stringlengths
23
3.17k
OC1=C(Br)C=CN=C1 Oc1cnccc1Br Molport-000-002-367
OC(=O)C1=CC(Br)=CC(=N1)C(O)=O OC(=O)c1cc(Br)cc(n1)C(O)=O Molport-000-002-368
OCC1=C(Br)C=CN=C1 OCc1cnccc1Br Molport-000-002-369
BrC1=NC=CC=C1C=O Brc1ncccc1C=O Molport-000-002-370
BrC1=NC=CC(C=O)=C1 Brc1cc(C=O)ccn1 Molport-000-002-371
BrC1=NC=C(C=O)C=C1 Brc1ccc(C=O)cn1 Molport-000-002-372
BrC1=CC=CN=C1C=O Brc1cccnc1C=O Molport-000-002-373
BrC1=C(C=O)C=CN=C1 Brc1cnccc1C=O Molport-000-002-374
BrC1=CC(C=O)=CN=C1 Brc1cncc(C=O)c1 Molport-000-002-375
OC(=O)C1=NC(Br)=CC=C1 OC(=O)c1cccc(Br)n1 Molport-000-002-376
OC(=O)C1=NC=C(Br)C=C1 OC(=O)c1ccc(Br)cn1 Molport-000-002-377
OC(=O)C1=CC(Br)=CN=C1 OC(=O)c1cncc(Br)c1 Molport-000-002-379
OC(=O)C1=NC=CC=C1Br OC(=O)c1ncccc1Br Molport-000-002-380
OC(=O)C1=CC(Br)=NC=C1 OC(=O)c1ccnc(Br)c1 Molport-000-002-381
OC(=O)C1=NC(Cl)=C(Br)C=C1 OC(=O)c1ccc(Br)c(Cl)n1 Molport-000-002-382
OC(=O)C1=CC=C(Br)N=C1 OC(=O)c1ccc(Br)nc1 Molport-000-002-383
OC(=O)C1=CC(Br)=CN=C1O OC(=O)c1cc(Br)cnc1O Molport-000-002-384
OC(=O)C1=CC=CN=C1Br OC(=O)c1cccnc1Br Molport-000-002-385
CN1CCN(CC1)C1=NC=C(Br)C=C1 CN1CCN(CC1)c1ccc(Br)cn1 Molport-000-002-389
BrC1=CC=CN=C1N1CCNCC1 Brc1cccnc1N1CCNCC1 Molport-000-002-392
BrC1=CN=C(C=C1)N1CCOCC1 Brc1ccc(nc1)N1CCOCC1 Molport-000-002-394
OC1CCN(CC1)C1=NC=C(Br)C=C1 OC1CCN(CC1)c1ccc(Br)cn1 Molport-000-002-395
BrC1=CN=CC(=C1)N1CCNCC1 Brc1cncc(c1)N1CCNCC1 Molport-000-002-399
CC1=NC=C(Br)C(=N1)C(O)=O Cc1ncc(Br)c(n1)C(O)=O Molport-000-002-404
OC(=O)C1=NC=C(Br)C=N1 OC(=O)c1ncc(Br)cn1 Molport-000-002-405
CSC1=NC=C(Br)C(=N1)C(O)=O CSc1ncc(Br)c(n1)C(O)=O Molport-000-002-407
CC(C)(C)OC(=O)N1CCCCC1CO CC(C)(C)OC(=O)N1CCCCC1CO Molport-000-002-409
CC(C)(C)OC(=O)N1CCC(CI)CC1 CC(C)(C)OC(=O)N1CCC(CI)CC1 Molport-000-002-410
CC(C)(C)OC(=O)N1CCC(I)CC1 CC(C)(C)OC(=O)N1CCC(I)CC1 Molport-000-002-411
CC(C)(C)OC(=O)N1CCC(Br)CC1 CC(C)(C)OC(=O)N1CCC(Br)CC1 Molport-000-002-414
CC1CC(=O)CCN1C(=O)OC(C)(C)C CC1CC(=O)CCN1C(=O)OC(C)(C)C Molport-000-002-416
CNC1CCN(CC1)C(=O)OC(C)(C)C CNC1CCN(CC1)C(=O)OC(C)(C)C Molport-000-002-417
CC(C)(C)OC(=O)N1CCC(CC1)C#C CC(C)(C)OC(=O)N1CCC(CC1)C#C Molport-000-002-418
CC(C)(C)OC(=O)N1CCCC(C1)C=O CC(C)(C)OC(=O)N1CCCC(C1)C=O Molport-000-002-419
CC(C)(C)OC(=O)N1CCC(=C)CC1 CC(C)(C)OC(=O)N1CCC(=C)CC1 Molport-000-002-420
CC(C)(C)OC(=O)N1CCC(CC=O)CC1 CC(C)(C)OC(=O)N1CCC(CC=O)CC1 Molport-000-002-421
COC1CCN(CC1)C(=O)OC(C)(C)C COC1CCN(CC1)C(=O)OC(C)(C)C Molport-000-002-422
BrC1=C2C=NNC2=CC=C1 Brc1cccc2[nH]ncc12 Molport-000-002-423
OC(=O)C1CCN(CC2=CC=CC=C2)CC1 OC(=O)C1CCN(Cc2ccccc2)CC1 Molport-000-002-424
OC(=O)C1CN(CC2=CC=CC=C2)C1 OC(=O)C1CN(Cc2ccccc2)C1 Molport-000-002-425
OC(=O)C1CN(CC2=CC=CC=C2)C(=O)C1 OC(=O)C1CN(Cc2ccccc2)C(=O)C1 Molport-000-002-426
OC(=O)C1CCN(CC1)C(=O)C1=CC=CC=C1 OC(=O)C1CCN(CC1)C(=O)c1ccccc1 Molport-000-002-427
OC(=O)CC1CCN(CC2=CC=CC=C2)CC1 OC(=O)CC1CCN(Cc2ccccc2)CC1 Molport-000-002-428
OC(=O)C1CCN1CC1=CC=CC=C1 OC(=O)C1CCN1Cc1ccccc1 Molport-000-002-429
O=CC1CCN(CC2=CC=CC=C2)CC1 O=CC1CCN(Cc2ccccc2)CC1 Molport-000-002-430
OCC1CCN(CC2=CC=CC=C2)CC1 OCC1CCN(Cc2ccccc2)CC1 Molport-000-002-431
OCCC1CCN(CC2=CC=CC=C2)CC1 OCCC1CCN(Cc2ccccc2)CC1 Molport-000-002-433
CCCCC1=NC(CO)=CN1 CCCCc1nc(CO)c[nH]1 Molport-000-002-435
Cl.C1CN(CCN1)C1=NSC2=CC=CC=C12 Cl.C1CN(CCN1)c1nsc2ccccc12 Molport-000-002-436
CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O Molport-000-002-437
CC1(C)C2CCC11CS(=O)(=O)N3OC13C2 CC1(C)C2CCC11CS(=O)(=O)N3OC13C2 Molport-000-002-438
COC(=O)C1C2CCC(CC1=O)N2C COC(=O)C1C2CCC(CC1=O)N2C Molport-000-002-441
OC(=O)C1=CC=CC=C1C1=NC2=CC=CC=C2S1 OC(=O)c1ccccc1-c1nc2ccccc2s1 Molport-000-002-442
OC(=O)C1(CCC1)NC(=O)OCC1=CC=CC=C1 OC(=O)C1(CCC1)NC(=O)OCc1ccccc1 Molport-000-002-446
OC(=O)C1(CCCC1)NC(=O)OCC1=CC=CC=C1 OC(=O)C1(CCCC1)NC(=O)OCc1ccccc1 Molport-000-002-447
COC(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 COC(=O)C1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-449
O=C(OCC1=CC=CC=C1)N1CCCC(=O)CC1 O=C(OCc1ccccc1)N1CCCC(=O)CC1 Molport-000-002-450
O=C(OCC1=CC=CC=C1)N1CCNC(=O)C1 O=C(OCc1ccccc1)N1CCNC(=O)C1 Molport-000-002-451
OC(=O)CC1CCCN(C1)C(=O)OCC1=CC=CC=C1 OC(=O)CC1CCCN(C1)C(=O)OCc1ccccc1 Molport-000-002-452
OC(=O)CC1CCN(CC1)C(=O)OCC1=CC=CC=C1 OC(=O)CC1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-453
OC(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 OC(=O)C1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-454
NC1=C(F)C=C(Cl)C=C1F Nc1c(F)cc(Cl)cc1F Molport-000-002-455
OC(=O)C1=NC=CN=C1Cl OC(=O)c1nccnc1Cl Molport-000-002-456
ClC1=CC=C2CC(=O)CCC2=C1 Clc1ccc2CC(=O)CCc2c1 Molport-000-002-457
OC(=O)CC1=CC(=C(Cl)C=C1)[N+]([O-])=O OC(=O)Cc1ccc(Cl)c(c1)[N+]([O-])=O Molport-000-002-460
NC1=CN=C(Cl)N=C1N Nc1cnc(Cl)nc1N Molport-000-002-461
CC1=C2N=CNC2=CC(Cl)=C1 Cc1cc(Cl)cc2[nH]cnc12 Molport-000-002-463
COC1=C(Cl)C=C(CC#N)C=C1 COc1ccc(CC#N)cc1Cl Molport-000-002-464
OC(=O)C1=CNC2=CC=C(Cl)C=C2C1=O OC(=O)c1c[nH]c2ccc(Cl)cc2c1=O Molport-000-002-465
NC1=C(Cl)C=C(C=C1)S(N)(=O)=O Nc1ccc(cc1Cl)S(N)(=O)=O Molport-000-002-466
CC(=O)C1=CC(N)=CC=C1Cl CC(=O)c1cc(N)ccc1Cl Molport-000-002-467
CC(=O)C1=C(Cl)C=CC(=C1)[N+]([O-])=O CC(=O)c1cc(ccc1Cl)[N+]([O-])=O Molport-000-002-468
CN1C=NC2=C(Cl)N=CN=C12 Cn1cnc2c(Cl)ncnc12 Molport-000-002-471
CC(C)(C(O)=O)C1=CC=C(Cl)C=C1 CC(C)(C(O)=O)c1ccc(Cl)cc1 Molport-000-002-472
Cl.NC(=N)C1=CC=C(Cl)C=C1 Cl.NC(=N)c1ccc(Cl)cc1 Molport-000-002-473
CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O Molport-000-002-475
N\C(=N/O)C1=CC=C(Cl)C=C1 N\C(=N/O)c1ccc(Cl)cc1 Molport-000-002-478
OC(=O)CSC1=CC=C(Cl)C=C1 OC(=O)CSc1ccc(Cl)cc1 Molport-000-002-482
O=C1COC2=CC=CC=C12 O=C1COc2ccccc12 Molport-000-002-484
N[C@H](CC1=CC=C(C=C1)C#N)C(O)=O N[C@H](Cc1ccc(cc1)C#N)C(O)=O Molport-000-002-485
N[C@@H](CC1=CC=C(C=C1)C#N)C(O)=O N[C@@H](Cc1ccc(cc1)C#N)C(O)=O Molport-000-002-486
OC(=O)CCC#N OC(=O)CCC#N Molport-000-002-487
NNCCC#N NNCCC#N Molport-000-002-489
N#CC1=CC=C(C=C1)C1=NC2=CC=CC=C2S1 N#Cc1ccc(cc1)-c1nc2ccccc2s1 Molport-000-002-491
OC(=O)C1CC(CC(C1)C(O)=O)C(O)=O OC(=O)C1CC(CC(C1)C(O)=O)C(O)=O Molport-000-002-496
OC(=O)[C@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O OC(=O)[C@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O Molport-000-002-497
OC(=O)C1CCC=CC1 OC(=O)C1CCC=CC1 Molport-000-002-498
O=C(C1CCCCC1)C1=CC=CC=C1 O=C(C1CCCCC1)c1ccccc1 Molport-000-002-499
OC(=O)C1CC=CC1 OC(=O)C1CC=CC1 Molport-000-002-501
Cl.NC(=N)C1CC1 Cl.NC(=N)C1CC1 Molport-000-002-502
C#CC1CC1 C#CC1CC1 Molport-000-002-503
O=C(OCC1=CC=CC=C1)N1CCCC(=O)C1 O=C(OCc1ccccc1)N1CCCC(=O)C1 Molport-000-002-506
Cl.O=C(NC1CCCNC1)OCC1=CC=CC=C1 Cl.O=C(NC1CCCNC1)OCc1ccccc1 Molport-000-002-507
OC(=O)C1=CSC(NC(=O)OCC2=CC=CC=C2)=N1 OC(=O)c1csc(NC(=O)OCc2ccccc2)n1 Molport-000-002-508
OC(=O)C1COCCN1C(=O)OCC1=CC=CC=C1 OC(=O)C1COCCN1C(=O)OCc1ccccc1 Molport-000-002-510
OC(=O)C1CN(CCN1)C(=O)OCC1=CC=CC=C1 OC(=O)C1CN(CCN1)C(=O)OCc1ccccc1 Molport-000-002-513
[O-][N+](=O)C1=CC(I)=CN=C1Cl [O-][N+](=O)c1cc(I)cnc1Cl Molport-000-002-514
COC(=O)C1=CC=C(Cl)N=C1C(=O)OC COC(=O)c1ccc(Cl)nc1C(=O)OC Molport-000-002-515
O=C(NC1CCNCC1)OCC1=CC=CC=C1 O=C(NC1CCNCC1)OCc1ccccc1 Molport-000-002-517
ClCC1CN(CC2=CC=CC=C2)CCO1 ClCC1CN(Cc2ccccc2)CCO1 Molport-000-002-518