Compound Name

SMILES String

CC(C)(C)c1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

CC(C)(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1

CC(C)(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

CC(C)(O)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |c:10|

CC(C)(O)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |w:7.6,c:10|

CC(C)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1

CC(C)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

CC(C)CN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

CC(C)Cn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cn1

CC(C)N1C(=O)C(C)COC11C=CC(=O)C=C1 |c:12,16|

CC(C)N1C(=O)C(CC=C)COC11C=CC(=O)C=C1 |c:14,18|

CC(C)N1C(=O)C(Cc2c(F)cccc2C(F)(F)F)COC11C=CC(=O)C=C1 |c:24,28|

CC(C)N1C(=O)C(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)COC11C=CC(=O)C=C1 |c:27,31|

CC(C)N1C(=O)C(Cc2cc(ccc2Cl)C(F)(F)F)COC11C=CC(=O)C=C1 |c:24,28|

CC(C)N1C(=O)C(Cc2ccc(Cl)cc2)COC11C=CC(=O)C=C1 |c:20,24|

CC(C)N1C(=O)C(Cc2ccc(F)cc2)COC11C=CC(=O)C=C1 |c:20,24|

CC(C)N1C(=O)C(Cc2ccc(cc2)C#N)COC11C=CC(=O)C=C1 |c:21,25|

CC(C)N1C(=O)C(Cc2ccc(cc2)C(F)(F)F)COC11C=CC(=O)C=C1 |c:23,27|

CC(C)N1C(=O)C(Cc2ccc(cc2)[N+]([O-])=O)COC11C=CC(=O)C=C1 |c:22,26|

CC(C)N1C(=O)C(Cc2cccc(Br)c2)COC11C=CC(=O)C=C1 |c:20,24|

CC(C)N1C(=O)C(Cc2ccccc2CS(=O)(=O)c2ccccc2)COC11C=CC(=O)C=C1 |c:30,34|

CC(C)N1CC(C1)C(C)NC(=O)c1cc(cnn1)C1CC1

CC(C)N1CC(C1)NC(=O)c1cc(ccn1)C1CC1

CC(C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1

CC(C)N1CC(C1)NC(=O)c1cn(CCN)nn1

CC(C)N1CC(C1)NC(=O)c1cn(CCO)nn1

CC(C)N1CC(C1)NC(=O)c1cn(cn1)C1CC1

CC(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

CC(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1(F)F

CC(C)N1CC(C1)NC(=O)c1ncc([nH]1)C1CC1

CC(C)N1CC(NC(=O)c2cn(nn2)C2CC2)C1(C)C

CC(C)N1CCC(CC1)NC(=O)c1cc(cnn1)C1CC1

CC(C)N1CCCC(C1)NC(=O)c1cc(cnn1)C1CC1

CC(C)N1CCCC(C1)NC(=O)c1cn(nn1)C1CC1

CC(C)N1CCN(Cc2cc(nn2C)C(=O)N2CC(C2)n2cnc3c(N)ncnc23)CC1

CC(C)[C@@](C)(N)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |r,c:12|

CC(C)[C@@](C)(N)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |r,w:9.8,c:12|

CC(Cc1ccccc1)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

CC(N1CC(C1)NC(=O)c1cc(ccn1)C1CC1)c1cc(Cl)ccc1Cl

CC(N1CC(C1)NC(=O)c1cc(ccn1)C1CC1)c1cccc(OCCO)c1Cl

CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1cc(Cl)ccc1Cl

CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccc(OCc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1cccc(OCCO)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1c(Cl)cccc1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1c(F)cccc1F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1c[nH]cn1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1C(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1OC(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1Oc1ccc(F)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(F)cc(Cl)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(F)ccc1F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(=O)[nH]c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(CNc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(COc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(Cl)c(c1)C(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(Cl)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)c(F)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(NC(=O)c2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(NCc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC(=O)N2CCCCC2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC(=O)N2CCOCC2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC(C)(C)C)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC(F)(F)F)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC2CCCNC2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCC2CCNCC2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCCCN(C)C)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCCN(C)C)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCCc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccc(C)cc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccc(Cl)cc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccc(NC(C)=O)cc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2cccc(Cl)c2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)c(Cl)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(Oc2ccccc2)cc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(cc1)-n1ccnc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(cc1)C(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(cc1)N1CCOCC1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2OCC(=O)Nc2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2OCCOc2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2OCOc2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2[nH]nc(-c3ccccc3Cl)c2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2n(C)ncc2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc2nn(C)cc2c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(Cl)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(Cl)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(NC(C)=O)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCC(C)(C)O)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCC(O)CO)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCN(C)C)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCN(C)C)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCN)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCO)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCO)c1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCc2ccccc2)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(Oc2ccccc2)c1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(c1)C(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1C(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1Cl

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1OC(F)(F)F

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1OCc1ccccc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccn1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cnccn1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cncnc1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1n[nH]c2ccccc12

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ncccn1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1nccs1

CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1sc(C)nc1C

CC(NC(=O)c1cc(cnn1)C1CC1)C1CCCCN1

CC(NC(=O)c1cc(cnn1)C1CC1)C1CCCCN1C

CC(NC(=O)c1cc(cnn1)C1CC1)C1CNC1

CC(NC(=O)c1cn(nn1)C1CC1)C1CCCCN1

CC(NC(=O)c1cn(nn1)C1CC1)C1CCCCN1C

CC(NCCc1ccc(Cl)c(Cl)c1)C(=O)N(CCNCc1ccc(cc1)C#N)C1CCCCC1

CC(O)COc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

CC(O)COc1cccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1Cl

CC1CNc2c(CC(C)(C)C)c(NCCN(C3CCCCC3)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)nn2C1

CCC(=O)N1CC(C1)Oc1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(cc1)C(F)(F)F

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(F)c1

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1F

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccn1

CCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1nccs1

CCCCCCCCNC(=O)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1 |c:19|

CCCCOc1ccc(cc1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

CCCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:7|

CCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CCN(C1CN(N=C1c1cc(C)c(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Br)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CNC |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CNC |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)NC |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@H](C)N |r,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)(F)F)ccc1OC)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OC)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OC)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OCCCN(C)C)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1CN1CCCC1)C(F)(F)F)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1CN1CCCC1)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC(F)(F)F)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC)C(F)(F)F)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OCCN1CCCC1)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OCCN1CCOCC1)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(Cl)c(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(Cl)c(OC(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(F)c(OC(F)(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(F)c(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(CC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(CC(F)(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1)=N/C#N)C(=O)[C@H](N)CC(C)C |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1F)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1F)=N/C#N)C(=O)[C@H](N)C(C)C |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CCCN |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CCN |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CN |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)N |r,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)O |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@H](C)O |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@H](N)C(C)C |r,w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1F)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)n1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)n1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OCCN(C)C)c1)=N/C#N)C(=O)CN |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OCCN(C)C)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OCCN(C)C)c1)=N/C#N)C(=O)CO |w:3.2,c:6|

CCN(C1CN(N=C1c1ccc(Cl)c(F)c1)C(\Nc1cccc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCC1CC1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCCC(F)(F)F)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)CN |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(F)c(Cl)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(OC(F)F)cc1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc2OC(F)(F)Oc2c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccc2OCOc2c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN(C1CN(N=C1c1ccccc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6|

CCN([C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(Cl)c(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)n1)=N/C#N)C(=O)CO |r,c:6|

CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC)c1)=N/C#N)C(=O)CO |r,c:6|

CCN1CC(C1)NC(=O)c1cc(cnn1)C1CC1

CCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CC[C@@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1 |r|

CC[C@H](N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1cccc(Cl)c1 |r|

CC[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(Cl)c1 |r|

CC[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1 |r|

CCc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1

CCn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cn1

CN(C)CCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CN(C)CCCNC(=O)c1cc(cnn1)C1CC1

CN(C)CCCNC(=O)c1cc(nc2[nH]ncc12)-c1ccccc1C

CN(C)CCCNC(=O)c1cn(nn1)C1CC1

CN(C)CCNC(=O)c1cc(cnn1)C1CC1

CN(C)CCNC(=O)c1cn(nn1)C1CC1

CN(C)CCOc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

CN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |w:2.1,c:5|

CN(CCCN1CCCC1)C(=O)c1cc(nc2[nH]ncc12)-c1ccccc1Br

CN(CCNCCc1ccc(O)c2NC(=O)COc12)C(=O)CCNCCc1ccc(Cl)c(Cl)c1

CN1C(=O)C(CCNc2cc(F)cc(c2)C(F)(F)F)COC11C=CC(=O)C=C1 |c:24,28|

CN1C(=O)C(CCNc2cc(cc(c2)C(F)(F)F)C(F)(F)F)COC11C=CC(=O)C=C1 |c:27,31|

CN1C(=O)C(CCNc2ccc(Cl)c(Cl)c2)COC11C=CC(=O)C=C1 |c:21,25|

CN1C(=O)C(CCNc2ccc(F)cc2)COC11C=CC(=O)C=C1 |c:20,24|

CN1C(=O)C(CCNc2ccc(cc2)-c2cccs2)COC11C=CC(=O)C=C1 |c:25,29|

CN1C(=O)C(CCNc2ccc(cc2)C(=O)c2ccccc2)COC11C=CC(=O)C=C1 |c:28,32|

CN1C(=O)C(CCNc2cccc(Cc3ccccc3)c2)COC11C=CC(=O)C=C1 |c:27,31|

CN1C(=O)C(CCNc2ccccc2)COC11C=CC(=O)C=C1 |c:19,23|

CN1C(=O)C(CCNc2cccnc2)COC11C=CC(=O)C=C1 |c:19,23|

CN1C(=O)C(CCNc2cnc3ccccc3c2)COC11C=CC(=O)C=C1 |c:24,28|

CN1C(=O)C(CCO)COC11C=CC(=O)C=C1 |c:12,16|

CN1C(=O)C(C\C=N\n2c3ccccc3c3ccccc23)COC11C=CC(=O)C=C1 |c:28,32|

CN1CC(C1)NC(=O)c1cc(cnn1)C1CC1

CN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CN1CCC(CC1)NC(=O)c1cc(cnn1)C1CC1

CN1CCCC(C1)NC(=O)c1cc(cnn1)C1CC1

CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(O)c1cc(cnn1)C1CC1 |r,TLB:0:1:4.3:7.6.8|

CN1[C@H]2CC[C@@H]1C[C@H](C2)NC(O)c1cc(cnn1)C1CC1 |r,TLB:0:1:4.3:7.6.8|

CNC(=O)c1ccc(COc2ccc(cc2)C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

CNC(=O)c1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

CNC1CCCC(C1)C(=O)Nc1cc(O)c2NC(=O)COc2c1

CNC1CCOC(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)C1

CNCCCNC(=O)c1cc(nc2[nH]ncc12)-c1ccccc1C

CNCCN1CCC(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)C1=O

CNCCOc1cccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1Cl

CNCCOc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

CNCCOc1cccc(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

CNCc1cccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1OC

CNCc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

CNCc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1OC

CNCc1cccc(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

CNc1cc(cc(n1)-c1ccccc1C)C(=O)NCCCN1CCCC1

COCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

COCCC(=O)N(CCNCCc1ccc(O)c2NC(=O)COc12)C1CCCCC1

COCCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

COCCCOc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

COCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

COCCOc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

COCCOc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

COCCOc1cccc(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COCCn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cn1

COc1c(CN)cccc1CN1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1c(CO)cccc1CN1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1c(OCCO)cccc1C(C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1

COc1c(OCCO)cccc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cc(F)ccc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cc(OCc2ccccc2)ccc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cc(cc(c1)-c1ccccc1C)C(=O)NCCCN1CCCC1

COc1cc(cc(n1)-c1ccccc1C)C(=O)NCCCN1CCCC1

COc1cc(ccc1F)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cc(ccc1OCc1ccccc1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

COc1ccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c(Cl)c1

COc1ccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c(OC)c1

COc1ccc(CC(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1OC

COc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1

COc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

COc1ccc(COc2ccc(cc2)C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

COc1ccc(Cl)c(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc(Cl)cc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

COc1ccc(N2CCCCC2)c(NCCC2COC3(C=CC(=O)C=C3)N(C)C2=O)c1 |c:21,25|

COc1ccc(cc1)C(C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1

COc1ccc(cc1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc(cc1)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)C(F)(F)F

COc1ccc(cc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1)C(F)(F)F

COc1ccc(cc1OC)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc(nc1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc2C(CCCc2c1)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc2C(CCc2c1Cl)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccc2C(CCc2c1OC)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cccc(C(C)N2CC(C2)NC(=O)c2cc(ccn2)C2CC2)c1OC

COc1cccc(C(C)N2CC(C2)NC(=O)c2cc(cnn2)C2CC2)c1Cl

COc1cccc(C(C)N2CC(C2)NC(=O)c2cc(cnn2)C2CC2)c1OC

COc1cccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1Cl

COc1cccc(C(C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1OC

COc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c1

COc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)c1

COc1cccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)c1

COc1cccc(CNC2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)c1

COc1cccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)c1

COc1cccc(O)c1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cccc(OC)c1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cccc([C@@H](C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1OC |r|

COc1cccc([C@H](C)N2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1OC |r|

COc1cccc(c1)C(C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1

COc1cccc(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cccc(c1)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)C(F)(F)F

COc1cccc2C(CCCc12)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cccc2CCC(N3CC(C3)NC(=O)c3cn(nn3)C3CC3)c12

COc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1

COc1ccccc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccccc1Cn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cn1

COc1ccccc1[C@@H](C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1 |r|

COc1ccccc1[C@@H](C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1 |r|

COc1ccccc1[C@H](C)N1CC(C1)NC(=O)c1cc(cnn1)C1CC1 |r|

COc1ccccc1[C@H](C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1 |r|

COc1cccnc1C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1ccnc(c1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1cnc(nc1)C(C)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

COc1nn(C)cc1CN1CC(C1)NC(=O)c1cn(nn1)C1CC1

CS(=O)(=O)CC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

CSc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

C[C@@H](N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccccc1 |r|

C[C@@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1Cl |r|

C[C@@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1 |r|

C[C@@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCO)c1Cl |r|

C[C@@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1 |r|

C[C@@H](N1CC(C1)NC(=O)c1ncc([nH]1)C1CC1)c1ccccc1 |r|

C[C@@H](N1C[C@@H](NC(=O)c2cn(nn2)C2CC2)C1(C)C)c1ccccc1 |r|

C[C@H](N1CC(C1)NC(=O)c1cc(cnn1)C1CC1)c1ccccc1 |r|

C[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cc(Cl)ccc1Cl |r|

C[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1 |r|

C[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1cccc(OCCO)c1Cl |r|

C[C@H](N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1 |r|

C[C@H](N1CC(C1)NC(=O)c1ncc([nH]1)C1CC1)c1ccccc1 |r|

C[C@H](N1C[C@@H](NC(=O)c2cn(nn2)C2CC2)C1(C)C)c1ccccc1 |r|

C[C@H](O)C(=O)NC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |r,c:9|

Cc1cc(OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)n(n1)-c1cccc(c1)C(=O)NCCCN1CCCC1

Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38|

Cc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

Cc1cccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c1

Cc1cccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)c1

Cc1ccccc1-c1cc(C(=O)N2CCC(CC2)N2CCCCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCC(CN2CCCC2)Cc2ccccc2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCC(O)CN2CCCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCCCN2CCC(CC2)N2CCCCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2c(n[nH]c2n1)C1CC1

Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCCCN2CCCCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2cn[nH]c2n1

Cc1ccccc1-c1cc(cc(c1)C(=O)NCCCN1CCCC1)C#N

Cc1ccccc1-c1cc(ccn1)C(=O)NCCCN1CCCC1

Cc1ccccc1-c1cccc(c1)C(=O)NCCCN1CCCC1

Cc1cn(CCCCNC(=O)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)c2ccccc12

Cc1cn(CCCCn2cc(nn2)-c2cccc(c2)C(=O)NCCCN2CCCC2)c2ccccc12

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

Cc1cn2ccccc2c1CCNCCN(C1CCCCC1)C(=O)CCNCCc1cccc(Cl)c1Cl

Cc1coc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)n1

Cc1n[nH]c2nc(cc(C(=O)NCCCN3CCCC3)c12)-c1ccccc1C

Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CC4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1

Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CN4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1

Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCC=C4)c3)c2n1 |c:33|

Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCCC4)c3)c2n1

Cc1nc(N)c2ncn(c2n1)C1(C)CN(C1)C(=O)c1cc(CN2CCN(CC2)C2CCCCCC2)n(C)n1

Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17|

Clc1ccc(CC(=O)N2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CC(=O)N2CCC(CC2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCC(=O)N2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCN2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(C(=O)NCCCN3CCCC3)c3cn[nH]c3n2)cc1Cl

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)cc1Cl

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cc(ccn2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)cc1

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cccc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(CCNCCC(=O)N(CCN2CCN(CC2)c2cccc3NCCc23)C2CCCCC2)cc1Cl

Clc1ccc(CCNCCC(=O)N(CCNCCCN2CCCC2)C2CCCCC2)cc1Cl

Clc1ccc(CCNCCC(=O)N(CCNCCCN2CCCCC2)C2CCCCC2)cc1Cl

Clc1ccc(CCNCCC(=O)N(CCNCCN2CCCC2)C2CCCCC2)cc1Cl

Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(ccn3)C3CC3)cn2)cc1

Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(cnn3)C3CC3)cn2)cc1

Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3nc(c[nH]3)C3CC3)cn2)cc1

Clc1ccc(NC(=O)N2CCN(CC2)c2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl

Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

Clc1ccc2C(CCc2c1)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

Clc1cccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)c1

Clc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1

Clc1ccccc1Cn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cn1

Cn1cc(CN2CC(C2)NC(=O)c2cc(cnn2)C2CC2)c(Cl)n1

Cn1cc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c(Cl)n1

Cn1cc(COc2ccc(CN3CC(C3)NC(=O)c3cc(cnn3)C3CC3)cc2)cn1

Cn1cc(COc2ccc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cc2)cn1

Cn1cnc(CN2CC(C2)NC(=O)c2cc(cnn2)C2CC2)c1Cl

Cn1cnc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

Cn1cnc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1Cl

FC(F)(F)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(OCc2ccccc2)cc1

FC(F)(F)C(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20|

FC(F)(F)c1cc(CC2COC3(C=CC(=O)C=C3)N(C2=O)c2ccccc2)cc(c1)C(F)(F)F |c:12,16|

FC(F)(F)c1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

FC(F)Oc1cccc(N\C(=N\C#N)N2CC(N3CNCC3=O)C(=N2)c2ccc(Cl)cc2)c1 |c:24|

Fc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1

Fc1ccc(cc1)C(C1CC1)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

Fc1ccc2C(CCc2c1)N1CC(C1)NC(=O)c1cn(nn1)C1CC1

Fc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1

NC(=O)c1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

NCCCCNC(=O)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

NCc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

N[C@@H](CCCN(CCc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

O=C(CC#N)N1CC(C1)Oc1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

O=C(CCNCCc1ccccc1)N(CCN1CC[C@H]1COc1cccnc1)C1CCCCC1

O=C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

O=C(Cc1ccccc1)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1

O=C(NC1CN(C1)C(C1CCC1)c1ccccc1)c1cn(nn1)C1CC1

O=C(NC1CN(C1)C1(CC1)c1ccccc1)c1cn(nn1)C1CC1

O=C(NC1CN(C1)C1(COC1)c1ccccc1)c1cn(nn1)C1CC1

O=C(NC1CN(C1)C1CC1)c1cn(nn1)C1CC1

O=C(NC1CN(CC2CC2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(CC2CCC2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(CC2COC2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(CCc2ccccc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(C[C@H]2C[C@@H](C2)OCc2ccccc2)C1)c1cn(nn1)C1CC1 |r,wU:7.6,wD:9.11,(-5.35,-3.49,;-4.58,-2.15,;-3.04,-2.15,;-2.27,-.82,;-.78,-.42,;-1.18,1.07,;-.41,2.4,;1.13,2.4,;2.22,3.49,;3.31,2.4,;2.22,1.31,;4.85,2.4,;5.62,1.07,;7.16,1.07,;7.93,-.27,;9.47,-.27,;10.24,1.07,;9.47,2.4,;7.93,2.4,;-2.67,.67,;-5.35,-.82,;-6.89,-.82,;-7.36,.64,;-6.12,1.55,;-4.87,.64,;-8.7,1.41,;-9.47,2.75,;-10.24,1.41,)|

O=C(NC1CN(C[C@H]2C[C@@H](C2)OCc2ccccc2)C1)c1cn(nn1)C1CC1 |r,wU:7.6,wD:9.11,(4.6,2.15,;4.6,.61,;3.27,-.16,;1.93,.61,;.44,.21,;.05,1.7,;-1.29,2.47,;-2.62,1.7,;-3.02,.21,;-4.51,.61,;-4.11,2.1,;-5.84,-.16,;-7.18,.61,;-8.51,-.16,;-9.84,.61,;-11.18,-.16,;-11.18,-1.7,;-9.84,-2.47,;-8.51,-1.7,;1.53,2.1,;5.93,-.16,;7.4,.32,;8.3,-.93,;7.4,-2.18,;5.93,-1.7,;9.84,-.93,;11.18,-1.7,;11.18,-.16,)|

O=C(NC1CN(C[C@H]2C[C@H](C2)OCc2ccccc2)C1)c1cn(nn1)C1CC1 |r,wU:7.6,9.11,(4.6,2.15,;4.6,.61,;3.27,-.16,;1.93,.61,;.44,.21,;.05,1.7,;-1.29,2.47,;-2.62,1.7,;-3.02,.21,;-4.51,.61,;-4.11,2.1,;-5.84,-.16,;-7.18,.61,;-8.51,-.16,;-9.84,.61,;-11.18,-.16,;-11.18,-1.7,;-9.84,-2.47,;-8.51,-1.7,;1.53,2.1,;5.93,-.16,;7.4,.32,;8.3,-.93,;7.4,-2.18,;5.93,-1.7,;9.84,-.93,;11.18,-1.7,;11.18,-.16,)|

O=C(NC1CN(C[C@H]2C[C@H](C2)OCc2ccccc2)C1)c1cn(nn1)C1CC1 |r,wU:9.11,7.6,(5.35,3.49,;4.58,2.15,;3.04,2.15,;2.27,.82,;2.67,-.67,;1.18,-1.07,;.41,-2.4,;-1.13,-2.4,;-2.22,-3.49,;-3.31,-2.4,;-2.22,-1.31,;-4.85,-2.4,;-5.62,-1.07,;-7.16,-1.07,;-7.93,.27,;-9.47,.27,;-10.24,-1.07,;-9.47,-2.4,;-7.93,-2.4,;.78,.42,;5.35,.82,;6.89,.82,;7.36,-.64,;6.12,-1.55,;4.87,-.64,;8.7,-1.41,;9.47,-2.75,;10.24,-1.41,)|

O=C(NC1CN(Cc2ccc(Cn3cccn3)cc2)C1)c1cc(cnn1)C1CC1

O=C(NC1CN(Cc2ccc(Cn3cccn3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3ccccc3)cc2)C1)c1cc(ccn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3ccccc3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3ccccn3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3cccnc3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3ccncc3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3cscn3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc(OCc3nncs3)cc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccc3CNC(=O)c3c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2ccccc2)C1)c1cc(cnn1)C1CC1

O=C(NC1CN(Cc2ccccc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cn(CCc3ccccc3)cn2)C1)c1cc(cnn1)C1CC1

O=C(NC1CN(Cc2cn(CCc3ccccc3)cn2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cn(Cc3ccccc3)cn2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cn(Cc3ccccc3)nn2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cn[nH]c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cncn2CCc2ccccc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cncn2Cc2ccccc2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CC3CC3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CC3CCC3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CC3CCCCC3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CC3CCOC3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CC3CCOCC3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(CCc3ccccc3)c2)C1)c1cc(cnn1)C1CC1

O=C(NC1CN(Cc2cnn(CCc3ccccc3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccc4scnc4c3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(ccn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(cnn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(on1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(cn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1ncc([nH]1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1nnc(o1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1nnc(s1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3cscn3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3ncco3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CN(Cc2cnn(Cc3nccs3)c2)C1)c1cn(nn1)C1CC1

O=C(NC1CNC1)c1cn(nn1)C1CC1

O=C(NCCCCNC(=O)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1)C1CC1

O=C(NCCCN1CCCC1)c1cc(cc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1)C#N

O=C(NCCCN1CCCC1)c1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1

O=C(NCCCN1CCCC1)c1cccc(c1)-c1ccccc1N1CCN(CCc2ccccc2)CC1

O=C(NCCCN1CCCC1)c1ccnc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1

O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1C(=O)NCCCCn1ccc2ccccc12

O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1C(=O)NCCCCn1cnc2ccccc12

O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1N1CCN(CC1)C(=O)[C@H]1CCCN1 |r|

O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccccc23)CC1

O=C1C=CC2(OCC(Cc3cn(nn3)-c3cccc(Cc4ccccc4)c3)C(=O)N2c2ccccc2)C=C1 |c:2,41|

O=C1C=CC2(OCC(Cc3cn(nn3)-c3cccc(c3)C#N)C(=O)N2c2ccccc2)C=C1 |c:2,35|

OC(Cc1ccccc1)c1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

OCC(=O)N(CC1CC1)C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |c:13|

OCC(=O)NC1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N |c:8|

OCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccc(F)cc1

OCC(N1CC(C1)NC(=O)c1cn(nn1)C1CC1)c1ccccc1

OCC(O)COc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

OCCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

OCCCOc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

OCCN1CC(C1)NC(=O)c1cn(nn1)C1CC1

OCCOc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

OCCOc1cccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)c1

O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1ccc(O)c2NC(=O)COc12 |r|

O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r|

O[C@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r|

Oc1ccc(CCNCCN(C2CCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCC2)C(=O)CCNCCc2ccccc2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCCC2)C(=O)CCNCCc2ccccc2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccccc2)c2OCC(=O)Nc12

Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12

Oc1ccc(CN2CC(C2)NC(=O)c2cn(nn2)C2CC2)cc1

[#6]-[#6](-[#6])-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]-[#6](=O)-[#6]=[#6]1 |c:33,37|

[#6]-[#6](-[#6])[Si;v4]([#8]-[#6]-[#6]-[#6]-1-[#6]-[#8]C2([#6]=[#6]-[#6](=O)-[#6]=[#6]2)[#7](-[#6])-[#6]-1=O)([#6](-[#6])-[#6])[#6](-[#6])-[#6] |c:11,15|

[#6]-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]-[#6](=O)-[#6]=[#6]1 |c:19,23|

[#6]-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]-[#6](=O)-[#6]=[#6]1 |c:31,35|

[#6]-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]\[#6](-[#6]=[#6]1)=[#7]\[#7]-c1ccccc1 |c:31,34|