text
stringlengths
23
2.86k
OC(=O)[C@@H]1CSCN1C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 OC(=O)[C@@H]1CSCN1C(=O)OCC1c2ccccc2-c2ccccc12 Molport-000-146-247
OC(=O)C1CCN(CC1)C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 OC(=O)C1CCN(CC1)C(=O)OCC1c2ccccc2-c2ccccc12 Molport-000-146-248
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(O)=O CC(C)(C)OC(=O)N1CCCC[C@@H]1C(O)=O Molport-000-146-249
CC(C)(C)OC(=O)NC1(CC1)C(O)=O CC(C)(C)OC(=O)NC1(CC1)C(O)=O Molport-000-146-250
OC(=O)C1(CC1)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 OC(=O)C1(CC1)NC(=O)OCC1c2ccccc2-c2ccccc12 Molport-000-146-251
NC(=O)CC1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O NC(=O)Cc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O Molport-000-146-252
OC(=O)\C=C\C1=CC=C(I)O1 OC(=O)\C=C\c1ccc(I)o1 Molport-000-146-253
CC1=C(OC=C1)C(Cl)=O Cc1ccoc1C(Cl)=O Molport-000-146-254
COC1=C(CC#N)C2=CC=C(Br)C=C2C=C1 COc1ccc2cc(Br)ccc2c1CC#N Molport-000-146-255
CC(C)(C)OC1=NC=C(B(O)O)C(OC(C)(C)C)=N1 CC(C)(C)Oc1ncc(B(O)O)c(OC(C)(C)C)n1 Molport-000-146-256
CC(=O)C1=CC=C(C=C1)B(O)O CC(=O)c1ccc(cc1)B(O)O Molport-000-146-257
OC(=O)C1=C2NC=C(C=O)C2=CC=C1 OC(=O)c1cccc2c(C=O)c[nH]c12 Molport-000-146-258
NNC(=O)C1=C2NC=CC2=CC=C1 NNC(=O)c1cccc2cc[nH]c12 Molport-000-146-259
CC1=CSC(CC#N)=N1 Cc1csc(CC#N)n1 Molport-000-146-260
NC1=C(SC2=NC(=CC(=C12)C(F)(F)F)C1=CC=CC=C1)C(O)=O Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1ccccc1)C(O)=O Molport-000-146-261
CC1=NC(=CN1)C(N)=S Cc1nc(c[nH]1)C(N)=S Molport-000-146-263
OC(=O)C1=CNC(=N1)C1=CC=CC=C1 OC(=O)c1c[nH]c(n1)-c1ccccc1 Molport-000-146-264
CSC1=C(C(N)=O)C(SC)=NS1 CSc1nsc(SC)c1C(N)=O Molport-000-146-265
ClCC1=NOC=N1 ClCc1ncon1 Molport-000-146-266
CC(C)(C)C1=NC(CCl)=NO1 CC(C)(C)c1nc(CCl)no1 Molport-000-146-267
CC1=C(C(C)=NO1)C1=NC(CCl)=NO1 Cc1noc(C)c1-c1nc(CCl)no1 Molport-000-146-269
CSC1=C(C=CC=N1)C1=NC(CCl)=NO1 CSc1ncccc1-c1nc(CCl)no1 Molport-000-146-270
ClC1=CC2=C(SCCC2=O)C=C1 Clc1ccc2SCCC(=O)c2c1 Molport-000-146-272
ClC1=CC2=C(C=C1)S(=O)(=O)CCC2=O Clc1ccc2c(c1)C(=O)CCS2(=O)=O Molport-000-146-273
OC(=O)C1=CSN=N1 OC(=O)c1csnn1 Molport-000-146-274
CC1=CC=C(C=C1)C1=CSN=N1 Cc1ccc(cc1)-c1csnn1 Molport-000-146-275
FC(F)(F)C1=CC(=CC(C=O)=C1)C(F)(F)F FC(F)(F)c1cc(C=O)cc(c1)C(F)(F)F Molport-000-146-276
ClC1=CC(C=O)=CC(Cl)=C1 Clc1cc(Cl)cc(C=O)c1 Molport-000-146-277
[O-][N+](=O)C1=CC=C(C=C1)C1=CSN=N1 [O-][N+](=O)c1ccc(cc1)-c1csnn1 Molport-000-146-278
CC1=CC=C(C=C1)C1=CN=CO1 Cc1ccc(cc1)-c1cnco1 Molport-000-146-279
OC(=O)C1CN(CC2=C(Cl)C=CC=C2)C(=O)C1 OC(=O)C1CN(Cc2ccccc2Cl)C(=O)C1 Molport-000-146-280
OC(=O)C1CN(CC2=CC=C(C=C2)C(F)(F)F)C(=O)C1 OC(=O)C1CN(Cc2ccc(cc2)C(F)(F)F)C(=O)C1 Molport-000-146-281
FC1=C(Cl)C=C(C=O)C=C1 Fc1ccc(C=O)cc1Cl Molport-000-146-282
O1C=NC=C1C1=CC=NC=C1 c1ncc(o1)-c1ccncc1 Molport-000-146-283
ClC1=CC=C(C=C1)C1NCCC2=C1C=CS2 Clc1ccc(cc1)C1NCCc2sccc12 Molport-000-146-285
CC1=CC=C(C)N1C1=CC=C(C=C1)C(F)(F)F Cc1ccc(C)n1-c1ccc(cc1)C(F)(F)F Molport-000-146-286
FC(F)(F)C1=CC(=CC=C1)C1=CN=CO1 FC(F)(F)c1cccc(c1)-c1cnco1 Molport-000-146-287
N#CC1=CC=C(C=C1)C1=CSN=N1 N#Cc1ccc(cc1)-c1csnn1 Molport-000-146-288
NC1=CC=CC(=C1)C1=CN=CO1 Nc1cccc(c1)-c1cnco1 Molport-000-146-289
FC1=CC(Cl)=C(C=O)C=C1 Fc1ccc(C=O)c(Cl)c1 Molport-000-146-290
CC1=CC(C(O)=O)=C(C)N1C1=CC=C(Cl)C=C1 Cc1cc(C(O)=O)c(C)n1-c1ccc(Cl)cc1 Molport-000-146-291
NC(=O)C1=CC=C(C=C1)C1=CSN=N1 NC(=O)c1ccc(cc1)-c1csnn1 Molport-000-146-292
FC(F)(F)C1=CC(Cl)=C(I)C=C1 FC(F)(F)c1ccc(I)c(Cl)c1 Molport-000-146-293
NC1=C(Br)C=C(C=C1Cl)C(F)(F)F Nc1c(Cl)cc(cc1Br)C(F)(F)F Molport-000-146-294
NNC1=NC2=CC=C(Cl)C=C2S1 NNc1nc2ccc(Cl)cc2s1 Molport-000-146-295
NC1=C(Cl)C=C(C=C1Cl)C(F)(F)F Nc1c(Cl)cc(cc1Cl)C(F)(F)F Molport-000-146-296
NC1=CC=C(C=C1Cl)C#N Nc1ccc(cc1Cl)C#N Molport-000-146-297
FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O FC(F)(F)c1ccc(c(Cl)c1)S(Cl)(=O)=O Molport-000-146-299
NC(=S)CC1=CC=C(C=C1)C1=CSN=N1 NC(=S)Cc1ccc(cc1)-c1csnn1 Molport-000-146-300
NNC1=C(Cl)C=C(C=C1)C(F)(F)F NNc1ccc(cc1Cl)C(F)(F)F Molport-000-146-301
CC(CSC1=CC=C(Cl)C=C1)C(O)=O CC(CSc1ccc(Cl)cc1)C(O)=O Molport-000-146-302
CC(CS(=O)(=O)C1=CC=C(Cl)C=C1)C(O)=O CC(CS(=O)(=O)c1ccc(Cl)cc1)C(O)=O Molport-000-146-303
CCOC(=O)C1=CN=C2SCCN2C1=O CCOC(=O)c1cnc2SCCn2c1=O Molport-000-146-304
ClC1=C(C=CC(=C1)C#N)S(Cl)(=O)=O Clc1cc(ccc1S(Cl)(=O)=O)C#N Molport-000-146-305
OC(=O)C1=CN=C2SCCN2C1=O OC(=O)c1cnc2SCCn2c1=O Molport-000-146-306
NNC1=CC=C(C=C1Cl)C#N NNc1ccc(cc1Cl)C#N Molport-000-146-307
FC1=CC2=C(OCCC2=O)C=C1 Fc1ccc2OCCC(=O)c2c1 Molport-000-146-308
COC1=CC=C(C=C1)C1NCCC2=C1C=CS2 COc1ccc(cc1)C1NCCc2sccc12 Molport-000-146-309
OC(=O)C1=CC2=C(SC=C2)S1 OC(=O)c1cc2ccsc2s1 Molport-000-146-312
FC(F)(F)C1=CC(Cl)=C(I)C(Cl)=C1 FC(F)(F)c1cc(Cl)c(I)c(Cl)c1 Molport-000-146-313
FC(F)(F)C1=CC(Cl)=C(C#N)C(Cl)=C1 FC(F)(F)c1cc(Cl)c(C#N)c(Cl)c1 Molport-000-146-314
COC(=O)C1=CC2=C(S1)C1=C(SC2)C=CC(Cl)=C1 COC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 Molport-000-146-315
ClCC1=NOC(=N1)C1=CSC=C1 ClCc1noc(n1)-c1ccsc1 Molport-000-146-318
OC(=O)C1=CC2=C(S1)C1=C(SC2)C=CC(Cl)=C1 OC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 Molport-000-146-319
OC(=O)C1=C(Br)C=CS1 OC(=O)c1sccc1Br Molport-000-146-321
BrC1=C(SC=C1)C=O Brc1ccsc1C=O Molport-000-146-322
OC(=O)C1=CC2=C(S1)C=CS2 OC(=O)c1cc2sccc2s1 Molport-000-146-323
NC1=C(Br)C=C(C=C1)C(F)(F)F Nc1ccc(cc1Br)C(F)(F)F Molport-000-146-324
ClCC1=NOC(=N1)C1=CC=CC=C1 ClCc1noc(n1)-c1ccccc1 Molport-000-146-325
COC1=C(C=CC=C1)C1=NC(CCl)=NO1 COc1ccccc1-c1nc(CCl)no1 Molport-000-146-326
COC1=CC=C(C=C1)C1=NC(CCl)=NO1 COc1ccc(cc1)-c1nc(CCl)no1 Molport-000-146-327
FC(F)(F)C1=CC(=CC=C1)C1=NC(CCl)=NO1 FC(F)(F)c1cccc(c1)-c1nc(CCl)no1 Molport-000-146-328
NCC1=C(OC(F)(F)F)C=CC=C1 NCc1ccccc1OC(F)(F)F Molport-000-146-330
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=C(OC)C=C1)C(=O)OC COC(=O)C1=C(C)NC(C)=C(C1c1ccc(OC)cc1)C(=O)OC Molport-000-146-331
N#CC1=CC=C(S1)C1=CC=CS1 N#Cc1ccc(s1)-c1cccs1 Molport-000-146-333
CN(N)C1=CC(=CC=N1)C(F)(F)F CN(N)c1cc(ccn1)C(F)(F)F Molport-000-146-334
CN(N)C1=NC=C(C=C1)C(F)(F)F CN(N)c1ccc(cn1)C(F)(F)F Molport-000-146-335
OC(=O)C1=COC2=C1C(=O)CCC2 OC(=O)c1coc2CCCC(=O)c12 Molport-000-146-336
O1C=NC=C1C1=CC=CS1 c1csc(c1)-c1cnco1 Molport-000-146-338
O=CC1=CC=CC(=C1)C#N O=Cc1cccc(c1)C#N Molport-000-146-339
ClC1=C(Br)C=C(S1)S(Cl)(=O)=O Clc1sc(cc1Br)S(Cl)(=O)=O Molport-000-146-340
OC(=O)C1=CC(=C(S1)C(F)(F)F)C1=CC=CC=C1 OC(=O)c1cc(c(s1)C(F)(F)F)-c1ccccc1 Molport-000-146-341
COC(=O)C1=C(N)C(=C(S1)C(F)(F)F)C1=CC=CC=C1 COC(=O)c1sc(c(c1N)-c1ccccc1)C(F)(F)F Molport-000-146-342
N\C(=N/O)C1=NC=CC=C1 N\C(=N/O)c1ccccn1 Molport-000-146-343
COC(=O)C1=C(Br)C=CS1 COC(=O)c1sccc1Br Molport-000-146-344
OC1=CC2=C(C=C1)C(=O)CO2 Oc1ccc2C(=O)COc2c1 Molport-000-146-346
NC(=S)NC1=CC=NC=C1 NC(=S)Nc1ccncc1 Molport-000-146-347
COC(=O)C1=CC(=C(S1)C(F)(F)F)C1=CC=CC=C1 COC(=O)c1cc(c(s1)C(F)(F)F)-c1ccccc1 Molport-000-146-348
FC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1 Fc1ccc(cc1)-c1cc2ccccc2[nH]1 Molport-000-146-349
FC1=C(Cl)C=C(C=C1)C1=CC2=CC=CC=C2N1 Fc1ccc(cc1Cl)-c1cc2ccccc2[nH]1 Molport-000-146-350
NC1=C(Br)C=C(C=C1Br)C(F)(F)F Nc1c(Br)cc(cc1Br)C(F)(F)F Molport-000-146-351
FC(F)(F)C1=C(C=C(S1)C(Cl)=O)C1=CC=CC=C1 FC(F)(F)c1sc(cc1-c1ccccc1)C(Cl)=O Molport-000-146-353
FC(F)(F)C1=C(C=C(S1)C1=NC(=NO1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F Molport-000-146-354
NC(=O)C1=C(C(=C(S1)C#N)C1=CC=CC=C1)C1=CC=CC=C1 NC(=O)c1sc(C#N)c(c1-c1ccccc1)-c1ccccc1 Molport-000-146-355
C1CN2C=C(N=C2S1)C1=CC=CC=C1 C1Cn2cc(nc2S1)-c1ccccc1 Molport-000-146-356
S1N=NC(=C1C1=CC=CC=C1)C1=CC=CC=C1 c1ccc(cc1)-c1nnsc1-c1ccccc1 Molport-000-146-357
ClC1=CC=C(C=C1)C1=C(C=O)C2=CC=CC=C2N1 Clc1ccc(cc1)-c1[nH]c2ccccc2c1C=O Molport-000-146-358
ClCC1=NSC(Cl)=N1 ClCc1nsc(Cl)n1 Molport-000-146-359
NNC1=C(Cl)C=C(C=C1Cl)C(F)(F)F NNc1c(Cl)cc(cc1Cl)C(F)(F)F Molport-000-146-360
NC1=C(SC(=C1C1=CC=CC=C1)C(F)(F)F)C(O)=O Nc1c(sc(c1-c1ccccc1)C(F)(F)F)C(O)=O Molport-000-146-361