Compound Name

SMILES String

OC[C@H]1CCN(C[C@@H]1O)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1 |r|

OCC1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1

OCCNc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1

OCC1(CO)CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1

OCCC1CCN(C1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1

C1NCC2CN(CC12)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2n1

OC[C@H]1CCN(C[C@@H]1O)c1cc2[nH]cnc2c(n1)-c1ccc2n(cnc2c1)C1CCCCC1 |r|

OCC1(CO)CCN(CC1)c1cc2[nH]cnc2c(n1)-c1ccc2n(cnc2c1)C1CCCCC1

C1NCC2CN(CC12)c1cc2[nH]cnc2c(n1)-c1ccc2n(cnc2c1)C1CCCCC1

OCC1(CO)CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1

C1NCC2CN(CC12)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1

OC[C@H]1CCN(C1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1[N+]([O-])=O |r|

OC[C@H]1CCN(C[C@@H]1O)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1[N+]([O-])=O |r|

OC[C@H]1CCN(C1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(O)=O |r|

OC[C@H]1CCN(C1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C#N |r|

OCC1(CO)CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C#N

NC(=O)c1c(F)cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12

NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CC[C@H](CO)C1 |r|

NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CC2CNCC2C1

NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CCC(CCO)C1

OCCNc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C#N

COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(CCO)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C#N

CN(C)CCOc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C#N

CN1CCN(CC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

ONC(=O)c1c(F)cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12

CN(CCO)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(C)CCCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O

CN(C)CC1CCCN1c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(CCN1CCCC1)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CCN(CC)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(CCO)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(C)c1cc(-c2ccc3scnc3c2)c2nc[nH]c2c1C(N)=O

COCCn1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12

C[C@H]1CCCC(C1)n1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12 |r|

CCN1C=NC2=CC(=CCC12)c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12 |c:3,7,t:5|

CN(C)CCN(C)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CCn1cnc2cc(cc(OC)c12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12

CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCC(F)(F)CC2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(C)c1cc(-c2ccc3n(CC(F)F)cnc3c2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(C)c1cc(-c2cc3OCCn4cnc(c2)c34)c2nc[nH]c2c1C(N)=O

CN(CCO)c1cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O |r|

COCCN(C)c1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O

CN(CCO)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CN(CCN1CCCC1)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

C[NH+](C)CCOc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CCn1cnc2cc(ccc12)-c1cc(OCC[NH+](C)C)c(C(N)=O)c2[nH]cnc12

CCn1cnc2cc(ccc12)-c1nc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12

CN(C)CCN(C)c1cc(-c2cncc(c2)C2CC2)c2nc[nH]c2c1C(N)=O

CCCCn1cnc2cc(ccc12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12

CN(C)CCN(C)c1cc(-c2ccc3n(cnc3c2)-c2ccccc2)c2nc[nH]c2c1C(N)=O

CN(C)CCN(C)c1cc(-c2ccc(nc2)N(C)C)c2nc[nH]c2c1C(N)=O

CN1CCCC(C1)Oc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CN1CCC[C@@H]1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O |r|

NC(=O)c1c(cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c12)N1CCC(CO)(CO)CC1

NC(=O)c1c(OCC2CCCN2)cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c12 |r|

CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCOC2)c2nc[nH]c2c1C(N)=O |r|

CN(C)C1CCCN(C1)c1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CCn1cnc2cc(cc(F)c12)-c1cc(N(C)CCN(C)C)c(C(N)=O)c2[nH]cnc12

CN(C)CCN(C)c1cc(-c2cncc(c2)N2CCCC2)c2nc[nH]c2c1C(N)=O

CN1CCCC1COc1cc(-c2cnc3OCCCc3c2)c2nc[nH]c2c1C(N)=O

CN1CCC[C@@H]1COc1cc(-c2ccc3n(cnc3c2)C2CCCCC2)c2nc[nH]c2c1C(N)=O |r|