324 SMILES Strings for Fusion glycoprotein F0

Compound Name
SMILES String
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccccc1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccc(F)c(Cl)c1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)C(=O)c1ccc(F)c(Cl)c1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1 |r|
CCCCCCCCCCCCCCCCCCO[C@H](C)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2cc(Cl)c(Cl)cc2C1 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(Cc1ccc(F)c(Cl)c1)C(C)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1=O |r|
CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)C(C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)[C@@H](C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1C(O)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1C(=O)c2ccccc2C1=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cccc(c1)C#C |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1 |r|
CCCCCCCCCCCCCCCCCCOC[C@@H](COc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCO[C@@H](CO[P@](S)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1 |r|
CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1c(cc(C)cc1C#N)C#N |r|
CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1 |r|
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O |r|
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)S(C)(=O)=O |r|
CCCCCCCCCCCCCCCCOC[C@@H](COCc1cc(F)cc(c1)S(C)(=O)=O)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(C#N)c(OC)c1 |r|
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCCCOC[C@@H](COCc1cc(F)cc(c1)C#N)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1C(O)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](Cc1cc(F)cc(c1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](Cc1ccccc1)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(cn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cc(ccn1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cncc(c1)S(C)(=O)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C(O)=O |r|
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C(O)=O |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(nn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCNC(=O)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccc(C#N)c(OC)c1F |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(C)c(cc1F)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(Cl)c(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(CCC)c(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(cc1F)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(C)c(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(OC)c(C#N)c(OC)c1 |r|
CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1cccc(c1)C#N |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1C#N |r|
CCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(F)c(Cl)c1F |r|
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCCCCCC[C@H](COCc1ccc(cc1F)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12 |r|
CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(cc1F)C#N |r|
CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1 |r|
CCCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1 |r|
CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1 |r|
CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N |r|
CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1 |r|
CS(=O)(=O)CCn1c(Cn2c(cc3ccccc23)S(C)(=O)=O)nc2ccccc12
CC(C)(O)CCn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(N)C(F)(F)F)c2cnccc12
CS(=O)(=O)CCCn1c(Cn2cc(c3ccccc23)S(=O)(=O)C2CC2)nc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2nc(c3ccccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CN(C)S(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
CS(=O)(=O)CCn1c(Cc2cn(c3ccccc23)S(C)(=O)=O)nc2ccccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCCO)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCOCCO)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(F)(F)F)c2cnccc12
CS(=O)(=O)CCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2ccccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(O)C(F)F)c2cnccc12
CS(=O)(=O)CCc1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccn12
CCS(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
CS(=O)(=O)CCCn1c(Cn2cc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2cc(c3cc(F)ccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CNS(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
CS(=O)(=O)CCCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CS(=O)(=O)CCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CC(C)S(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCO)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCO)c2cnccc12
CC(C)(CO)Cn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CC(C)(O)CCCn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
COCCOCCn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(F)(F)CO)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(O)C(F)(F)F)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(F)(F)CN)c2cnccc12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCCC(F)(F)F)c2cnccc12
c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5
CS(=O)(=O)CCCc1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccn12
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12
CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc12
Cc1cc(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(ccc12)C(F)(F)F
CC(C)C(=O)N1CCC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CN1CCOC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
Cc1nc(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(Br)ccc12
OCCCCn1c(CN2C(=O)C3(CNC3)c3ccccc23)nc2cc(Br)ccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc23)nc2ccccc12
OCCCCn1c(Cn2ncc3ccccc23)nc2ccccc12
OCCCCn1c(Cn2c3CNCCc3c3ccccc23)nc2ccccc12
OCCCCn1c(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)nc2ccccc12
Cc1ccc2n(CCCCO)c(CN3C(=O)C4(CC4)c4ccccc34)nc2c1
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(ccc12)C1CCCCC1
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(F)ccc12
NCc1ccc2n(CCCCO)c(CN3C(=O)C4(CC4)c4ccccc34)nc2c1
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(I)ccc12
OCCCCn1c(CN2C(=O)C3(CCOCC3)c3ccccc23)nc2cc(Br)ccc12
OCCCCn1c(CN2C(=O)C3(CSC3)c3ccccc23)nc2cc(Br)ccc12
OCCCCn1c(CN2C(=O)C3(CS(=O)(=O)C3)c3ccccc23)nc2cc(Br)ccc12
CS(=O)(=O)N1CCC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CC(C)OC(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CC(C)C(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CN1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CN1CCC2(CC1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
OCCCCn1c(CN2C(=O)C3(CCN(CC3)C3COC3)c3ccccc23)nc2cc(Br)ccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2ccccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2ccccc12
OCCCCn1c(Cn2cc(C#N)c3ccccc23)nc2ccccc12
OCCCCn1c(Cn2ncc3ccncc23)nc2ccccc12
Cc1nn(Cc2nc3ccccc3n2CCCCO)c2ccccc12
OCCCCn1c(Cn2ccc3ccncc23)nc2ccccc12
Cc1nn(Cc2nc3ccccc3n2CCCCO)c2CCCCc12
Cc1c2CCCCc2nn1Cc1nc2ccccc2n1CCCCO
OCCCCn1c(Cn2c(nc3ccccc23)C(F)(F)F)nc2ccccc12
CC1CC(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc2N1
OCCCCn1c(Cn2c3ccccc3oc2=O)nc2ccccc12
OCCCCn1c(Cn2c(nc3ccccc23)-c2cscn2)nc2ccccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(Cl)ccc12
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(ccc12)C#N
OCCCCn1c(CN2C(=O)C3(CCOC3)c3ccccc23)nc2cc(Br)ccc12
CC(C)OC(=O)N1CCC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
CS(=O)(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
OCCCCn1c(CN2C(=O)C3(NC(=O)NC3=O)c3ccccc23)nc2cc(Br)ccc12
Cc1ccc2nc(cc(NCCN3CCNCC3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NC(=O)CN)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCO)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
Cc1ccc2nc(cc(NCCCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
CNCCNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
CN(C)CCNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
CC(CN)Nc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
CC(N)CNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NC(C)(C)CN)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCC(C)(C)N)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCN3CCOCC3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCN3CCCCC3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCC3CCCCN3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCC(N)=O)c2c1)N1CCCc2ccc(F)cc2C1
CC(=O)NCCNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NC3(CN)COC3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCNC3COC3)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCC3(N)COC3)c2c1)N1CCCc2ccc(F)cc2C1
CS(=O)(=O)c1ccc2nc(cc(NCCN)c2c1)N1CCCc2ccccc2C1
NCCNc1cc(nc2ccccc12)N1CCS(=O)(=O)c2ccccc2C1
NCCNc1cc(nc2ccccc12)N1CCOc2ccccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCC(F)(F)c2ccccc2C1
NCC(O)CNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NCC(O)CNc1cc(nc2ccccc12)N1Cc2ccccc2C1
NCC(O)CNc1cc(nc2ccccc12)N1CCCc2ccccc2C1
OCC(O)CNc1cc(nc2ccccc12)N1CCc2ccccc2C1
CC(O)CNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NCCCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NC(=O)NCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NCCNc1cc(nc2ccccc12)N1CCCc2ccccc2C1
NCCNc1cc(nc2cccc(Cl)c12)N1CCCc2ccccc2C1
NCCNc1cc(nc2cc(Cl)ccc12)N1CCCc2ccccc2C1
NCCNc1cc(nc2c(Cl)cccc12)N1CCCc2ccccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCCc2ccccc2C1
NCCNc1cc(nc2ccc(F)cc12)N1CCCc2ccccc2C1
NCCNc1cc(nc2ccc(cc12)C(F)(F)F)N1CCCc2ccccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1Cc2ccccc2NC(=O)C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCCc2cc(F)ccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCCc2ccc(F)cc2C1
Cc1ccc2nc(cc(NCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
NCCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NC(=N)NCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
NCCNc1cc(nc2ccc(Cl)cc12)N1CCCc2ccccc2C1
COc1ccc2nc(cc(NCCN)c2c1)N1CCCc2ccccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCNc2ccccc2C1
Cc1ccc2nc(cc(NCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN
Cc1ccc2nc(nc(NCC3(N)COC3)c2c1)N1CCS(=O)(=O)c2ccccc2C1
CC[C@H](N(C)C(=O)c1cc(C)ccc1OC)c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCNc2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCNc2c(C)c(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2c(C)c(nc3cc1nn23)N1CC[C@H](N)C1 |r|
CN1CCCCOc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC[C@H](N)C1 |r|
Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O |r|
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2ncccc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2ncccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cnccc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cnccc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2ccncc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cccnc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ncccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ccncc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cccnc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ccccc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ccccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(F)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(F)ccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Br)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Br)ccc12
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2ccc(Cl)cc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(ccc12)C(F)(F)F
COc1ccc2n(CCCCO)c(Cn3c4cnccc4n(C4CC4)c3=O)cc2c1
CC(C)(O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(C4CC4)c3=O)cc2c1
FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
OC(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
NC(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
ONC(=N)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
Clc1ccc2n(CCCN3CCOCC3)c(Cn3c4cnccc4n(C4CC4)c3=O)cc2c1
OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
CC(C)(O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(C4CC4)c3=O)nc2n1
FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5
FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3[nH]c2=O)cc2cc(Cl)ccc12
CC(C)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
CC1(CC1)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
CC(C)(C)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(CC3CC3)c2=O)cc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3COC3)c2=O)cc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CNC3)c2=O)cc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CN(C3)S(C)(=O)=O)c2=O)cc2cc(Cl)ccc12
CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl
CC(n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O)C(F)(F)F
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(CC#N)c2=O)cc2cc(Cl)ccc12
Cc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
OC(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ccc(cc4)C(=O)NC4CC4)c3=O)cc2c1
CS(=O)(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
FC(F)(F)Oc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
COc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
COc1ccc(c(F)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(9.04,-20.26,;8.01,-21.41,;8.49,-22.87,;10,-23.2,;10.47,-24.66,;9.43,-25.81,;7.93,-25.49,;6.9,-26.63,;7.45,-24.03,;9.91,-27.27,;11.38,-27.74,;12.71,-26.97,;14.04,-27.73,;14.05,-29.28,;12.71,-30.06,;11.37,-29.28,;9.91,-29.76,;9.43,-31.22,;7.92,-31.54,;6.78,-30.5,;5.45,-31.28,;3.99,-30.8,;2.85,-31.83,;1.38,-31.35,;3.17,-33.33,;4.63,-33.8,;5.76,-32.78,;7.3,-32.94,;8.07,-34.28,;9.61,-34.28,;10.38,-35.62,;11.92,-35.62,;13.46,-35.62,;9.01,-28.51,;7.46,-28.51,)|
COc1ccc(cc1C)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl
COc1ccc(c(C)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(57.69,-18.88,;56.66,-20.03,;57.13,-21.49,;58.64,-21.82,;59.11,-23.28,;58.08,-24.42,;56.58,-24.11,;55.55,-25.25,;56.1,-22.64,;58.56,-25.88,;60.02,-26.36,;61.35,-25.59,;62.68,-26.35,;62.69,-27.9,;61.35,-28.67,;60.02,-27.9,;58.55,-28.38,;58.07,-29.84,;56.57,-30.16,;55.42,-29.12,;54.09,-29.89,;52.63,-29.42,;51.49,-30.44,;50.03,-29.97,;51.81,-31.95,;53.27,-32.42,;54.41,-31.4,;55.94,-31.56,;56.71,-32.9,;58.25,-32.9,;59.02,-34.23,;60.56,-34.24,;62.1,-34.23,;57.65,-27.13,;56.11,-27.13,)|
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ccncn4)c3=O)cc2c1
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ncccn4)c3=O)cc2c1
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ncco4)c3=O)cc2c1
Cn1ccc(n1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ccncc4)c3=O)cc2c1
Fc1cnccc1-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(29.27,-3.65,;27.77,-3.33,;27.29,-1.86,;25.79,-1.54,;24.75,-2.69,;25.23,-4.15,;26.73,-4.47,;27.21,-5.93,;28.67,-6.41,;30,-5.63,;31.34,-6.4,;31.34,-7.95,;30.01,-8.72,;28.67,-7.95,;27.21,-8.43,;26.73,-9.89,;25.22,-10.21,;24.08,-9.17,;22.75,-9.94,;21.29,-9.47,;20.14,-10.49,;18.68,-10.02,;20.47,-12,;21.92,-12.47,;23.06,-11.45,;24.59,-11.61,;25.36,-12.95,;26.9,-12.95,;27.67,-14.28,;29.21,-14.29,;30.75,-14.28,;26.3,-7.18,;24.76,-7.18,)|
[H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(13.73,-43.38,;14.51,-42.05,;15.29,-43.38,;16.82,-43.38,;17.59,-42.04,;16.81,-40.71,;15.27,-40.71,;14.49,-39.38,;12.95,-39.39,;15.26,-38.04,;16.8,-38.04,;17.56,-36.7,;19.1,-36.7,;16.78,-35.37,;15.24,-35.38,;14.48,-36.72,;12.94,-36.73,;11.74,-37.51,;11.5,-35.99,;12.71,-35.03,;10.22,-35.65,;9.47,-37.05,;10.34,-38.05,;9.27,-38.98,;7.94,-38.21,;9.27,-40.52,;7.94,-41.3,;7.94,-42.84,;9.27,-43.6,;10.61,-42.84,;12.08,-43.31,;12.98,-42.06,;12.06,-40.81,;10.6,-41.3,;6.61,-43.61,;6.21,-45.1,;4.73,-44.71,;3.39,-45.48,;5.12,-43.22,)|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@@H]1C[C@H](N)C1 |r,wU:34.38,36.41,wD:1.0,(37.48,-24.69,;38.26,-23.37,;39.04,-24.7,;40.57,-24.69,;41.34,-23.36,;40.57,-22.03,;39.02,-22.03,;38.25,-20.7,;36.71,-20.71,;39.01,-19.36,;40.55,-19.36,;41.31,-18.02,;42.85,-18.02,;40.54,-16.69,;38.99,-16.7,;38.23,-18.04,;36.69,-18.05,;35.49,-18.83,;35.26,-17.31,;36.4,-16.29,;33.97,-16.96,;33.22,-18.36,;34.09,-19.36,;33.02,-20.3,;31.69,-19.53,;33.02,-21.84,;31.69,-22.62,;31.69,-24.16,;33.02,-24.92,;34.36,-24.16,;35.83,-24.63,;36.73,-23.38,;35.82,-22.13,;34.35,-22.62,;30.36,-24.93,;28.87,-24.54,;28.48,-26.02,;27.15,-26.8,;29.97,-26.42,)|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)C1CNC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC[C@H](N)C1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(C1)NC |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(N)C1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(O)C1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCS(=O)(=O)CCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCNCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)N(C)CCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCS(=O)(=O)NCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(NCCN(C)c1cc(nc3cc2nn13)N1CCC1)C(F)(F)F |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCNC(=O)CN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCOCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](N)C1 |r,wU:34.38,wD:1.0,36.41,(36.63,-39.84,;37.42,-38.51,;38.19,-39.84,;39.73,-39.84,;40.5,-38.5,;39.72,-37.17,;38.18,-37.17,;37.4,-35.84,;35.86,-35.85,;38.16,-34.51,;39.7,-34.5,;40.47,-33.17,;42.01,-33.16,;39.69,-31.83,;38.14,-31.85,;37.39,-33.18,;35.85,-33.2,;34.64,-33.97,;34.41,-32.46,;35.56,-31.43,;33.13,-32.11,;32.38,-33.51,;33.24,-34.51,;32.18,-35.44,;30.84,-34.67,;32.18,-36.98,;30.85,-37.76,;30.85,-39.3,;32.18,-40.06,;33.51,-39.3,;34.98,-39.77,;35.88,-38.52,;34.97,-37.28,;33.51,-37.76,;29.52,-40.08,;29.12,-41.57,;27.63,-41.17,;26.3,-41.94,;28.03,-39.68,)|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@@H]1C[C@H](O)C1 |r,wU:34.38,36.41,wD:1.0,(57.15,-9.85,;57.93,-8.53,;58.71,-9.86,;60.24,-9.85,;61.01,-8.52,;60.24,-7.19,;58.69,-7.19,;57.92,-5.86,;56.38,-5.87,;58.68,-4.52,;60.22,-4.52,;60.98,-3.18,;62.52,-3.18,;60.21,-1.85,;58.66,-1.86,;57.9,-3.2,;56.36,-3.21,;55.16,-3.99,;54.93,-2.47,;56.08,-1.45,;53.64,-2.12,;52.89,-3.52,;53.76,-4.52,;52.69,-5.46,;51.36,-4.69,;52.69,-7,;51.36,-7.78,;51.36,-9.32,;52.69,-10.08,;54.03,-9.32,;55.5,-9.79,;56.4,-8.54,;55.49,-7.29,;54.02,-7.78,;50.03,-10.09,;48.54,-9.7,;48.15,-11.18,;46.82,-11.96,;49.64,-11.58,)|
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(58.55,-22.17,;59.34,-20.84,;60.11,-22.17,;61.64,-22.17,;62.41,-20.83,;61.64,-19.5,;60.09,-19.5,;59.32,-18.17,;57.78,-18.18,;60.08,-16.83,;61.62,-16.83,;62.38,-15.49,;63.92,-15.49,;61.61,-14.16,;60.06,-14.17,;59.3,-15.51,;57.76,-15.52,;56.56,-16.3,;56.33,-14.79,;57.48,-13.76,;55.04,-14.44,;54.3,-15.84,;55.16,-16.84,;54.09,-17.77,;52.76,-17,;54.09,-19.31,;52.76,-20.09,;52.76,-21.63,;54.09,-22.39,;55.43,-21.63,;56.9,-22.1,;57.8,-20.85,;56.89,-19.61,;55.42,-20.09,;51.43,-22.41,;51.04,-23.89,;49.55,-23.5,;48.22,-24.27,;49.95,-22.01,)|
[H][C@@]12CCCCN1C(=O)c1cc(C)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(80.59,-8.73,;81.38,-7.41,;82.15,-8.74,;83.69,-8.73,;84.46,-7.4,;83.68,-6.07,;82.14,-6.07,;81.36,-4.74,;79.82,-4.75,;82.12,-3.4,;83.66,-3.4,;84.43,-2.06,;85.97,-2.06,;83.65,-.73,;82.1,-.74,;81.35,-2.08,;79.81,-2.09,;78.6,-2.87,;78.37,-1.35,;79.52,-.33,;77.09,-1,;76.34,-2.4,;77.2,-3.4,;76.14,-4.34,;74.8,-3.57,;76.14,-5.88,;74.81,-6.66,;74.81,-8.2,;76.14,-8.96,;77.47,-8.2,;78.94,-8.67,;79.84,-7.42,;78.93,-6.17,;77.46,-6.66,;73.48,-8.97,;73.08,-10.46,;71.59,-10.06,;70.26,-10.84,;71.99,-8.58,)|
CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(cc1n3n2)N1CCC1
CN1CCNC(=O)COc2ccc(C)cc2C(=O)N2CCCCC2c2cc3nc(cc1n3n2)N1CCC1
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3c2cccc3Cl)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3cc(F)ccc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3cc(Cl)ccc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccc(Cl)cc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccc(Cl)c23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccc(F)c23)nc2cc(CN)ccc12
CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc23)nc2cc(CN)ccc12
NCc1ccc2n(CCCCO)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F
NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4cccc(F)c34)nc2c1
NCc1ccc2n(C3CCC(O)CC3)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1 |(23.93,-12.4,;22.59,-11.64,;21.26,-12.41,;21.26,-13.96,;19.93,-14.74,;18.59,-13.97,;17.13,-14.45,;16.66,-15.91,;15.16,-16.23,;14.69,-17.69,;15.72,-18.84,;15.24,-20.3,;17.23,-18.52,;17.7,-17.05,;16.22,-13.21,;14.68,-13.21,;13.91,-11.88,;14.52,-10.48,;16.02,-10.15,;13.36,-9.45,;12.58,-8.11,;14.13,-8.11,;12.04,-10.23,;10.58,-9.76,;9.44,-10.79,;9.77,-12.3,;8.64,-13.34,;11.23,-12.76,;12.37,-11.73,;17.12,-11.96,;18.59,-12.43,;19.92,-11.65,)|
NCc1ccc2n(C3CCOCC3)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
NC(=N)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
CCNC(=N)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
NC(=N)NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
NC(=O)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
OC(=O)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
CS(=O)(=O)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
CC(=O)NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
Fc1ccc2c(c1)N(Cc1nc3ccccc3n1CCCC(F)(F)F)C(=O)C21CC1
Fc1ccc2c(c1)N(Cc1nc3cc(Cl)ccc3n1CCCC(F)(F)F)C(=O)C21CC1
CC(C)CCn1c(CN2C(=O)C3(CC3)c3cccnc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CN(C3)C(C)=O)c3ccccc23)nc2cc(CN)ccc12
CC(C)CCn1c(CN2C(=O)C3(CCOCC3)c3ccccc23)nc2cc(CN)ccc12