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O=C1C=CC2=C(C=CC=C2)C1=CNN1CCN(CC1)C1C2=CC=CC=C2C2=C1C=CC=C2 O=C1C=Cc2ccccc2C1=CNN1CCN(CC1)C1c2ccccc2-c2ccccc12 Molport-053-243-354
CC1=CC(NO1)=NC(=O)C1=C(N)C2=C(C=C(N=C2S1)C1=CC=CC=C1)C(F)(F)F Cc1cc(=NC(=O)c2sc3nc(cc(c3c2N)C(F)(F)F)-c2ccccc2)[nH]o1 Molport-053-243-355
CC1=CC=CC=C1NC(=O)CSC1=NNC=N1 Cc1ccccc1NC(=O)CSc1nc[nH]n1 Molport-053-243-356
COC1=CC=CC(CN=C2NNN=N2)=C1OCC1=CC=CC=C1Cl COc1cccc(CN=c2nn[nH][nH]2)c1OCc1ccccc1Cl Molport-053-243-357
O=C(NC1=CC=CC=C1)C(NC(=O)C1=CC=CO1)=CC1=CC=CC=C1 O=C(Nc1ccccc1)C(NC(=O)c1ccco1)=Cc1ccccc1 Molport-053-243-358
CCCCOC1=CC=C2N=C(NC2=C1)S(O)(=O)=O CCCCOc1ccc2nc([nH]c2c1)S(O)(=O)=O Molport-053-243-359
CC(C)OC1=NC(=N)N=C2NC(C)=C(C)N=C12 CC(C)Oc1nc(=N)nc2[nH]c(C)c(C)nc12 Molport-053-243-360
OC1=NC2=CC=C(C=C2N1)S(=O)(=O)NC1=CC(SC2=NNC=N2)=C(O)C2=CC=CC=C12 Oc1nc2ccc(cc2[nH]1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12 Molport-053-243-361
NC1=C(C(NC=N1)=NCC1=CC=CC=C1)[N+]([O-])=O Nc1nc[nH]c(=NCc2ccccc2)c1[N+]([O-])=O Molport-053-243-362
FC1=CC=CC=C1C(=O)N=C1NOC=C1 Fc1ccccc1C(=O)N=c1cco[nH]1 Molport-053-243-363
CN(C)C1=CC=C(SC2=NNC(=N)S2)C=C1 CN(C)c1ccc(Sc2n[nH]c(=N)s2)cc1 Molport-053-243-364
CC1=CC=CC(C)=C1N=C1NS(=O)(=O)C2=C1C=CC=C2 Cc1cccc(C)c1N=C1NS(=O)(=O)c2ccccc12 Molport-053-243-365
CN1NC(=NC(=S)NC(=O)C2=CC=C(O2)C2=CC=C(Br)C=C2)N=N1 Cn1nnc(=NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)[nH]1 Molport-053-243-366
COCCN=C1NC2=C(N1CC1=CC=CC=C1)C(=O)N(CC1=CC=CC=C1)C(=O)N2C COCCN=c1[nH]c2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1 Molport-053-243-367
CCN=C1NC(NC(SC(C(C)=O)C(=O)NC2=CC=CC=C2)=N1)=NC(C)C CCN=c1nc(SC(C(C)=O)C(=O)Nc2ccccc2)[nH]c(=NC(C)C)[nH]1 Molport-053-243-368
CC1=C(C(=O)NN)C(NN1)=NN Cc1[nH][nH]c(=NN)c1C(=O)NN Molport-053-243-369
CCN1C(SC2=C1C=CC=C2)=CC(=O)\C=C\C1=CC=CC(=C1)[N+]([O-])=O CCN1C(Sc2ccccc12)=CC(=O)\C=C\c1cccc(c1)[N+]([O-])=O Molport-053-243-370
COC1=CC=C(C=C1)C1CC(N2NC(NC(=O)C(C)C)=NC2=N1)C1=CC=C(F)C=C1 COc1ccc(cc1)C1CC(N2NC(NC(=O)C(C)C)=NC2=N1)c1ccc(F)cc1 Molport-053-243-371
CCC1=CC=CC(C)=C1NC(=O)CSC1=NNC(=N)S1 CCc1cccc(C)c1NC(=O)CSc1n[nH]c(=N)s1 Molport-053-243-372
N=C1NNC(SCC(=O)OC2CCCCC2)=N1 N=c1nc(SCC(=O)OC2CCCCC2)[nH][nH]1 Molport-053-243-373
CC(CC1=CC=CC=C1)N=C1NC=NC2=C1SC1=C2C=C2COC(C)(C)CC2=N1 CC(Cc1ccccc1)N=c1[nH]cnc2c3cc4COC(C)(C)Cc4nc3sc12 Molport-053-243-374
COC1=CC=C(C=C1)C1N2NC=NC2=NC2=C1C(OC1=C2C=C(Cl)C=C1)C1=CC=C(OC)C(OC)=C1 COc1ccc(cc1)C1N2NC=NC2=NC2=C1C(Oc1ccc(Cl)cc21)c1ccc(OC)c(OC)c1 Molport-053-243-375
CCN1C(NC2=CC=CC=C12)=NCC1=CC=C(C=C1)N(C)C CCn1c2ccccc2[nH]c1=NCc1ccc(cc1)N(C)C Molport-053-243-376
CN(C)C1=CC=C(\C=C2\S\C(=N/C3=CC=CC=C3)N(CC3=CC=C(C=C3)C(O)=O)C2=O)C=C1Br CN(C)c1ccc(\C=C2\S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1Br Molport-053-243-377
CC1=CC(NO1)=NC(=O)CCN1C=NC=N1 Cc1cc(=NC(=O)CCn2cncn2)[nH]o1 Molport-053-243-378
CN1C(S)=NN=C1C1=CC(NC(C)=O)=CC=C1 CC(=O)Nc1cccc(c1)-c1nnc(S)n1C Molport-053-243-379
CC1=NN(C(=O)CSC2=C(C=C(C#N)C(=N)N2)C#N)C(C)=C1 Cc1cc(C)n(n1)C(=O)CSc1[nH]c(=N)c(cc1C#N)C#N Molport-053-243-380
CCOC(=O)C1=C(NC2=NCCCCC2)C(C(N)=O)=C(C)S1 CCOC(=O)c1sc(C)c(C(N)=O)c1NC1=NCCCCC1 Molport-053-243-381
CN1C(=O)C=C(OC2=CC=CC=C2N\C=C2\C=C(Cl)C=CC2=O)N(C)C1=O Cn1c(Oc2ccccc2N\C=C2\C=C(Cl)C=CC2=O)cc(=O)n(C)c1=O Molport-053-243-382
COC1=CC=C(NC(=O)C2=C(C)N=C3N=C(CCCO)NN3C2C2=CC=C(OC)C(OC)=C2)C=C1 COc1ccc(NC(=O)C2=C(C)N=C3N=C(CCCO)NN3C2c2ccc(OC)c(OC)c2)cc1 Molport-053-243-383
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(=NC2=C(O)N=CN=C12)N1CCN(CC2=CC=CC=C2)CC1 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(O)ncnc12)N1CCN(Cc2ccccc2)CC1 Molport-053-243-384
OC1=NC=C(NC(=O)CC2=CC=CC3=CC=CC=C23)C(O)=N1 Oc1ncc(NC(=O)Cc2cccc3ccccc23)c(O)n1 Molport-053-243-385
CCCCN1NN=NC1=NCC1=CC=CN=C1 CCCCn1[nH]nnc1=NCc1cccnc1 Molport-053-243-386
CCOC(=O)C1=C(C)N(C(=O)C1=CC1=CC=CC2=CC=CC=C12)C1=CC=C(C)C=C1 CCOC(=O)C1=C(C)N(C(=O)C1=Cc1cccc2ccccc12)c1ccc(C)cc1 Molport-053-243-387
OC1=CC(O)=C2SC(NC2=N1)=NC1=CC=CC(=C1)C(F)(F)F Oc1cc(O)c2sc(=Nc3cccc(c3)C(F)(F)F)[nH]c2n1 Molport-053-243-388
O=C(OCCN=C1NS(=O)(=O)C2=C1C=CC=C2)C1=CC=CS1 O=C(OCCN=C1NS(=O)(=O)c2ccccc12)c1cccs1 Molport-053-243-389
NC1=C(SC(N1)=NC1=CC=CC=C1F)C(=O)C1=CC=C(Br)C=C1 Nc1[nH]c(=Nc2ccccc2F)sc1C(=O)c1ccc(Br)cc1 Molport-053-243-390
CN1C(NC2=C1C(=O)N(CC1=CC=C(F)C=C1)C(=O)N2C)=NCCO Cn1c2c([nH]c1=NCCO)n(C)c(=O)n(Cc1ccc(F)cc1)c2=O Molport-053-243-391
CSC1=NNC(=C1)C1=CC=CC=C1 CSc1cc([nH]n1)-c1ccccc1 Molport-053-243-392
COC1=CC=CC=C1\C=N\N1NN=NC1=N COc1ccccc1\C=N\n1[nH]nnc1=N Molport-053-243-393
OC1=C2N=C(NC2=NC=N1)N1CCOCC1 Oc1ncnc2[nH]c(nc12)N1CCOCC1 Molport-053-243-394
CCOC(=O)C1=CNC2=CC=CC=C2C1=NC1=CC=CC=C1CC CCOC(=O)c1c[nH]c2ccccc2c1=Nc1ccccc1CC Molport-053-243-395
CC1=CC=C(C=C1)C1C=C(N=C2N=NNN12)C1=CC=C(Cl)C=C1 Cc1ccc(cc1)C1C=C(N=C2N=NNN12)c1ccc(Cl)cc1 Molport-053-243-396
FC1=CC=C(C=C1)N=C1NC2=CC=CC=C2NC1=NS(=O)(=O)C1=CC=CC=C1 Fc1ccc(cc1)N=c1[nH]c2ccccc2[nH]c1=NS(=O)(=O)c1ccccc1 Molport-053-243-397
CC(C)(C)C1=NC(N)=C(N)C(=N)N1 CC(C)(C)c1nc(N)c(N)c(=N)[nH]1 Molport-053-243-398
COCCN=C1NC(O)=CN=N1 COCCN=c1nncc(O)[nH]1 Molport-053-243-399
O=C(NCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C1=CC=CS1 O=C(NCCNC(=O)c1nc(=O)c2ccccc2[nH]1)c1cccs1 Molport-053-243-400
CN1NN=NC1=NCC1=CC=C(O1)C1=C(C)C(Cl)=CC=C1 Cc1c(Cl)cccc1-c1ccc(CN=c2nn[nH]n2C)o1 Molport-053-243-401
CN1NC(=NC(=S)NC(=O)C2=CC=CC=C2)N=N1 Cn1nnc(=NC(=S)NC(=O)c2ccccc2)[nH]1 Molport-053-243-402
BrC1=CC=C(C=C1)C1=CC=C(CN=C2NNN=N2)O1 Brc1ccc(cc1)-c1ccc(CN=c2nn[nH][nH]2)o1 Molport-053-243-403
CC1=C(C(N2NC(=NC2=N1)C1=CC=CC=C1)C1=CC=CC=N1)C(=O)NC1=CC=CN=C1 CC1=C(C(N2NC(=NC2=N1)c1ccccc1)c1ccccn1)C(=O)Nc1cccnc1 Molport-053-243-404
CC1=NC(SCC2=CC=CN=C2)=NC(O)=C1 Cc1cc(O)nc(SCc2cccnc2)n1 Molport-053-243-405
FC1=CC=CC=C1N1CCN(CC1)C1=NC2(CCCC2)C(C#N)C(=O)N1 Fc1ccccc1N1CCN(CC1)C1=NC2(CCCC2)C(C#N)C(=O)N1 Molport-053-243-406
CCCCN1NC(=NC(=O)C2=CC=CC=C2F)C2=CC3=CC=CC=C3N=C12 CCCCn1[nH]c(=NC(=O)c2ccccc2F)c2cc3ccccc3nc12 Molport-053-243-407
FC(F)(F)C1=NN(C(=O)C1=CNCCN1CCOCC1)C1=NC2=CC=CC=C2S1 FC(F)(F)C1=NN(C(=O)C1=CNCCN1CCOCC1)c1nc2ccccc2s1 Molport-053-243-408
ClC1=CC=CC=C1C1=C(C#N)C(=N)NC2=C1CCC2 Clc1ccccc1-c1c2CCCc2[nH]c(=N)c1C#N Molport-053-243-409
BrC1=CC=C(CN=C2N=NNN2CC=C)C=C1 Brc1ccc(CN=c2nn[nH]n2CC=C)cc1 Molport-053-243-410
CC1(C)CC(=O)C2=C(C1)NC1=C(C2C2=CC=CN=C2)C(O)=NC(SCC2=CC=CC=C2F)=N1 CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nc(O)c1C2c1cccnc1 Molport-053-243-411
COC1=CC=C(CC2=NNC(S2)=NC(=O)C2=CC=C(Cl)C=C2)C=C1OC COc1ccc(Cc2n[nH]c(=NC(=O)c3ccc(Cl)cc3)s2)cc1OC Molport-053-243-412
O=C(N=C1NN2C(=N1)N=CC=C2C1=CC=CC=C1)C1=CC=CC=C1 O=C(N=c1nc2nccc(-c3ccccc3)n2[nH]1)c1ccccc1 Molport-053-243-413
CC(C)OC(=O)CN=C1NC2=CC=C(C)C=C2C(=N1)C1=CC=CC=C1 CC(C)OC(=O)CN=c1nc(-c2ccccc2)c2cc(C)ccc2[nH]1 Molport-053-243-414
CC(C)N=C1NC(=NC(C)C)N=C(N1)N(N1C=NN=C1)S(=O)(=O)C1=CC=C(C)C=C1 CC(C)N=c1nc([nH]c(=NC(C)C)[nH]1)N(n1cnnc1)S(=O)(=O)c1ccc(C)cc1 Molport-053-243-415
CCN(CC)C1=CC=C(\C=C2\C(C)=NN(C2=O)C2=NN=C(C)C(O)=N2)C=C1 CCN(CC)c1ccc(\C=C2\C(C)=NN(C2=O)c2nnc(C)c(O)n2)cc1 Molport-053-243-416
CSC1=C2NC=NC2=C(S)N=N1 CSc1nnc(S)c2nc[nH]c12 Molport-053-243-417
OC(=O)C(CC1=CC=CC=C1)N=C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C1 OC(=O)C(Cc1ccccc1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Molport-053-243-418
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=N)S1)=C2C#N CC(C)(C)C1CCc2c(C1)sc(NC(=O)CSc1n[nH]c(=N)s1)c2C#N Molport-053-243-419
ClC1=CC=C2NC(=NCC3=CC=CC=N3)N=C(C3=CC=CC=C3)C2=C1 Clc1ccc2[nH]c(=NCc3ccccn3)nc(-c3ccccc3)c2c1 Molport-053-243-420
CCOC1=NC(=N)NC(N)=C1C#N CCOc1nc(=N)[nH]c(N)c1C#N Molport-053-243-421
COC1=CC=CC(=C1)C1=CC=C2C(N)=C(SC2=N1)C(=O)N=C1NN=C(SCC2=CC=CC=C2)S1 COc1cccc(c1)-c1ccc2c(N)c(sc2n1)C(=O)N=c1[nH]nc(SCc2ccccc2)s1 Molport-053-243-422
CC1=CC=C(NN=NC2=CC=C(C)C=C2)C=C1 Cc1ccc(NN=Nc2ccc(C)cc2)cc1 Molport-053-243-423
CCN(CC)C1=CC=C(C=C1)C1C2=C(CCCC2=O)NC2=C1C(O)=NC(O)=N2 CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(O)nc(O)c12 Molport-053-243-424
CC1=CC(NO1)=NC(=O)NC1=CC=CC=C1 Cc1cc(=NC(=O)Nc2ccccc2)[nH]o1 Molport-053-243-425
CCSC1=NNC(S1)=NC(=O)C1=CC=C(Cl)C=C1 CCSc1n[nH]c(=NC(=O)c2ccc(Cl)cc2)s1 Molport-053-243-426
COC1=CC=C(Br)C=C1C(=O)N=C1NN(C)N=N1 COc1ccc(Br)cc1C(=O)N=c1nnn(C)[nH]1 Molport-053-243-427
OCCCN=C1NC2=C(C(=O)N1C1=CC=CC=C1)C1(CCCCC1)CC1=CC=CC=C21 OCCCN=c1[nH]c2-c3ccccc3CC3(CCCCC3)c2c(=O)n1-c1ccccc1 Molport-053-243-428
COC1=CC=C(CC2=NNC(S2)=NC(=O)C2=CC=C(C)C(C)=C2)C=C1OC COc1ccc(Cc2n[nH]c(=NC(=O)c3ccc(C)c(C)c3)s2)cc1OC Molport-053-243-429
OC1=C(C#N)C(=NC(SCC(=O)NC2CCCCC2)=N1)C1=CC=CC=C1 Oc1nc(SCC(=O)NC2CCCCC2)nc(-c2ccccc2)c1C#N Molport-053-243-430
CCC(=O)N=C1SNC(=N1)C1=CC=CC=C1 CCC(=O)N=c1nc([nH]s1)-c1ccccc1 Molport-053-243-431
FC1=CC=C(C=C1Cl)C1=CC=C(CN=C2NNN=N2)O1 Fc1ccc(cc1Cl)-c1ccc(CN=c2nn[nH][nH]2)o1 Molport-053-243-432
CC1=C(O)NC(=NCCCCCO)N=N1 Cc1nnc(=NCCCCCO)[nH]c1O Molport-053-243-433
CC1=NN=C(N\N=C\C2=CC=CC=C2Cl)N=C1O Cc1nnc(N\N=C\c2ccccc2Cl)nc1O Molport-053-243-434
CCN=C1NC(OC2=CC=C(C=C2)C(=O)OC)=NC(N1)=NCC CCN=c1nc(Oc2ccc(cc2)C(=O)OC)[nH]c(=NCC)[nH]1 Molport-053-243-435
CCN(CC)C(=O)CN(C#N)C1=NC(NC(N1)=NC(C)C)=NC(C)C CCN(CC)C(=O)CN(C#N)c1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 Molport-053-243-436
CC(OC(=O)C1=C2C=CC=CC2=C(O)N=N1)C(=O)C1=CC=C(C)C=C1 CC(OC(=O)c1nnc(O)c2ccccc12)C(=O)c1ccc(C)cc1 Molport-053-243-437
CC(C)(C)C1=CN=C2C(O)=NC=NC2=N1 CC(C)(C)c1cnc2c(O)ncnc2n1 Molport-053-243-438
COC1=C(CN=C2N=NNN2C)C=C(Cl)C=C1Cl COc1c(Cl)cc(Cl)cc1CN=c1nn[nH]n1C Molport-053-243-439
NC1=C(CC2=CC(Br)=CC=C2)C(=N)NN1 Nc1[nH][nH]c(=N)c1Cc1cccc(Br)c1 Molport-053-243-440
OC1=C2C(SC3=C2CCN(CC2=CC=CC=C2)C3)=NC=N1 Oc1ncnc2sc3CN(Cc4ccccc4)CCc3c12 Molport-053-243-441
CS(C)=NC(=O)C1=CC=C(Cl)C=C1 CS(C)=NC(=O)c1ccc(Cl)cc1 Molport-053-243-442
COC1=CC=C(C=C1Cl)C1=CC=C(CNN2NN=NC2=N)O1 COc1ccc(cc1Cl)-c1ccc(CNn2[nH]nnc2=N)o1 Molport-053-243-443
OC1=CC=C(C=C1\C=N\N1NN=NC1=N)[N+]([O-])=O Oc1ccc(cc1\C=N\n1[nH]nnc1=N)[N+]([O-])=O Molport-053-243-444
COC1=CC=C(OCC(=O)N=C2NONC2=NC(=O)COC2=CC=C(OC)C=C2)C=C1 COc1ccc(OCC(=O)N=C2NONC2=NC(=O)COc2ccc(OC)cc2)cc1 Molport-053-243-445
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC1=NNC(=O)C2=C(O1)C=CC=C2 CC(C)(C)c1ccc(cc1)S(=O)(=O)CC1=NNC(=O)c2ccccc2O1 Molport-053-243-446
CC1=CC=C(O1)C1=C2CCCCC2=NC(S)=C1C#N Cc1ccc(o1)-c1c2CCCCc2nc(S)c1C#N Molport-053-243-447
CN1NC(=NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2)N=N1 Cn1nnc(=NC(=S)NC(=O)c2ccc3ccccc3c2)[nH]1 Molport-053-243-448
BrC1=CC=CC(=C1)C(=O)NCCN=C1NS(=O)(=O)C2=C1C=CC=C2 Brc1cccc(c1)C(=O)NCCN=C1NS(=O)(=O)c2ccccc12 Molport-053-243-449
CN1NN=NC1=NCC1=CC=CC=C1C(F)(F)F Cn1[nH]nnc1=NCc1ccccc1C(F)(F)F Molport-053-243-450
CC1=CC(C)=NC(NC(NC(=O)C(CC2=CC=CC=C2)N2C(=O)C3CCCCC3C2=O)=NC2=CC=CC=C2F)=N1 Cc1cc(C)nc(NC(NC(=O)C(Cc2ccccc2)N2C(=O)C3CCCCC3C2=O)=Nc2ccccc2F)n1 Molport-053-243-451
COC1=CC=C\C(=C\NN2CCN(CC3=CC=C(C)C=C3C)CC2)C1=O COC1=CC=C\C(=C\NN2CCN(Cc3ccc(C)cc3C)CC2)C1=O Molport-053-243-452
C(N=C1NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 C(N=c1nc(cc([nH]1)-c1ccccc1)-c1ccccc1)c1ccccc1 Molport-053-243-453