374 SMILES Strings for Purine nucleoside phosphorylase
Compound Name
SMILES String
CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O
CC(C)(CCC(N)=O)CCn1cnc2c1nc(N)[nH]c2=O
CC(C)(CCC(O)=O)CCn1cnc2c1nc(N)[nH]c2=O
CC(C)(CCS)CCn1cnc2c1nc(N)[nH]c2=S
CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(N)(=O)=O
CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(O)(=O)=O
CC(C)(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
CC(C)c1ccc(Cc2c[nH]c3c2nc(N)[nH]c3=O)cc1
CC1CCCC(Cc2c[nH]c3c2nc(N)[nH]c3=O)C1
CC1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O
CCC(C)(C)CCn1cnc2c1nc[nH]c2=O
CCCCCCn1c(N)nc2c1nc(N)[nH]c2=O
CCCCn1cnc2c1C(=O)C=CC2=O |c:12|
CCCN1[C@H](CO)[C@H](O)C(O)[C@@H]1c1c[nH]c2c1nc[nH]c2=O |r|
CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
CCN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O
CCOP(=O)(OCC)C(F)(F)CCCc1c[nH]c2c1nc(N)[nH]c2=O
CCOP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1nc(N)[nH]c2=O
CN(CC(CO)CO)Cc1c[nH]c2c1nc[nH]c2=O
CN(CC(O)CCO)Cc1c[nH]c2c1nc[nH]c2=O
CN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
CN(Cc1c[nH]c2c1nc[nH]c2=O)C(CO)CO
CN(Cc1c[nH]c2c1nc[nH]c2=O)[C@H](CO)[C@H](O)CO |r|
COC(=O)CC(c1c[nH]c2c1nc(N)[nH]c2=O)c1cccc(Cl)c1
COC1[C@@H](O)[C@@H](CO)N[C@H]1c1c[nH]c2c1nc[nH]c2=O
COC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
COc1ccc(Cn2c(N)nc(O)c3nc(N)nc23)cc1
COc1cccc(Cc2c[nH]c3c2nc(N)[nH]c3=O)c1
COc1ccccc1Cc1c(N)[nH]c2c1nc(N)[nH]c2=O
COc1ncnc2c(c[nH]c12)[C@@H]1N[C@H](CO)[C@H](O)C1O |r|
CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO
CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)C(O)CO
CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
CSCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
CSCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
CSC[C@@H](NCc1c[nH]c2c(O)ncnc12)[C@@H](O)CO
CSC[C@@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r|
CSC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
CSC[C@@]1(O)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@@H](O)CO
CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
CSC[C@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
CS[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1cc2nc[nH]c(=O)c2[nH]1 |r|
CSc1nc(N)nc2nc[nH]c12
CSc1nc(O)c2nc(N)nc2n1Cc1ccccc1
CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
C[C@H]1N[C@H](C(O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O
C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc(n1)C(N)=N |r|
C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(nc1N)C(N)=N |r|
Cc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccccc1
Cc1[nH]c2c(nc[nH]c2=O)c1[C@@H]1N[C@H](CO)[C@H](O)C1O
Cc1cc(O)c2nc[nH]c(=O)c2c1
Cc1cccc(Cc2c[nH]c3c2nc(N)[nH]c3=O)c1
Cc1ccsc1CNc1cc2nc(N)[nH]c(=O)c2[nH]1
Cc1ccsc1CNc1nc2nc(N)[nH]c(=O)c2[nH]1
Cc1ccsc1Cc1cc2nc(N)[nH]c(=O)c2[nH]1
Cc1ccsc1Cc1nc2nc(N)[nH]c(=O)c2[nH]1
Cc1nc(Cn2cnc3c2C(=O)C=CC3=O)cs1 |c:13|
Cc1nc2c(C(=O)C=CC2=O)n1Cc1ccccc1 |c:7|
Clc1cccc(c1)C(CC#N)c1c[nH]c2c1nc[nH]c2=O
Cn1cc([C@@H]2N[C@H](CO)[C@H](O)C2O)c2nc[nH]c(=O)c12 |r|
Cn1cnc2c1C(=O)C=CC2=O |c:9|
Fc1ccc(Cn2cnc3c2C(=O)C=CC3=O)cc1 |c:14|
Fc1cccc(Cn2cnc3c2C(=O)C=CC3=O)c1 |c:15|
Fc1ccccc1Cn1cnc2c1C(=O)C=CC2=O |c:17|
NC(=N)c1nc(N)n(n1)C1OC(CO)C(O)[C@@H]1O
NC(=N)c1ncn(n1)C1OC(CO)C(O)[C@@H]1O
NC(=O)CC(c1c[nH]c2c1nc(N)[nH]c2=O)c1ccccc1
NC(=O)c1[nH]nc(C2N[C@H](CO)[C@H](O)[C@@H]2O)c1N
NC(Cn1cnc2c1nc[nH]c2=O)C(O)CO
NC1=NC(=O)C2NC=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1 |r,c:20,t:1,7|
NC1Nc2c(nc(N)[nH]c2=O)C1Cc1ccsc1
NC1Nc2c(nc(N)[nH]c2=O)N1Cc1cccs1
NC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Nc1[nH+]cn(Cc2ccccc2)c2ncnc12
Nc1[nH]c2c(nc(N)[nH]c2=O)c1CC1CCCCC1
Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccccc1
Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccco1
Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1cccs1
Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccsc1
Nc1cc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1cc2nc[nH]c2c(=O)[nH]1
Nc1ccc(O)c2c1nc[nH]c2=O
Nc1cccc2nc[nH]c(=O)c12
Nc1nc(N)c2[nH]nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Nc1nc(O)c2nc(NC=O)nc2n1Cc1ccccc1
Nc1nc(O)c2ncnc2n1Cc1ccccc1
Nc1nc2C(Cc3ccccc3)CNc2c(=O)[nH]1
Nc1nc2C(Cc3ccsc3)CNc2c(=O)[nH]1
Nc1nc2N(Cc3cccs3)CNc2c(=O)[nH]1
Nc1nc2c(CC3C4CC5CC(C4)CC3C5)c[nH]c2c(=O)[nH]1 |TLB:5:6:9.8.15:11.12.13,5:6:8:11.12.10,THB:13:14:8:11.12.10,13:11:8:6.14.15,10:9:6:11.12.13,10:11:6:9.8.15,(11.49,-16.07,;12.84,-15.31,;14.16,-16.08,;15.5,-15.31,;16.98,-15.78,;16.95,-17.32,;18.26,-18.1,;18.96,-19.42,;18.45,-21.11,;19.61,-20.06,;21.12,-19.92,;21.46,-18.33,;20.35,-19.26,;20.76,-16.95,;19.26,-17.08,;18.87,-18.64,;17.88,-14.53,;16.97,-13.29,;15.5,-13.77,;14.16,-13,;14.16,-11.46,;12.84,-13.77,)|
Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCC3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCNC3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCO3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CC3CCCSS3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3CC(O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3CCCC(CO)C3)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3CCC[C@@H]3CO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1 |r|
Nc1nc2c(CNC(CO)(CO)CO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CNCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Nc1nc2c(CNCCO)c[nH]c2c(=O)[nH]1
Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1 |r|
Nc1nc2c(Cc3cc(Cl)cc(Cl)c3Cl)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(Cl)c(Cl)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(O)cc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccc(cc3)-c3ccccc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(F)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(Oc4ccccc4)c3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccc(c3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccccc3Cl)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccccc3O)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccccn3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cccs3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccncc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(Cc3cnccc3Cl)c[nH]c2c(=O)[nH]1
Nc1nc2c(O)nc(N)n(Cc3ccccc3)c2n1
Nc1nc2c(O)nc(N)n(Cc3ccco3)c2n1
Nc1nc2c(O)nc(N)n(Cc3cccs3)c2n1
Nc1nc2c(O)nc(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc2c(O)ncn(Cc3ccccc3)c2n1
Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1
Nc1nc2c(S)ncn(Cc3ccccc3)c2n1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC#N)c1cccc(Cl)c1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC#N)c1ccccc1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)C1CCCCC1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CCO)C1CCCCC1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CCO)c1cccc(Cl)c1
Nc1nc2c(c[nH]c2c(=O)[nH]1)C1=CCCCC1 |t:13|
Nc1nc2c(c[nH]c2c(=O)[nH]1)C1CCCCC1
Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H](CC(O)=O)c1cccc(Cl)c1
Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@H](CC(O)=O)c1cccc(Cl)c1
Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@H]1C[C@@H](O)[C@@H](CO)N1
Nc1nc2c(cc(N)[nH]c2=O)[nH]1
Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](CSc2ccccc2)[C@@H](O)[C@H]1O |r|
Nc1nc2c(nc(N)[nH]c2=O)n1CCCCCC(O)=O
Nc1nc2c(nc(N)[nH]c2=O)n1COCCI
Nc1nc2c(nc(N)[nH]c2=O)n1COCCO
Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccccc1
Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccco1
Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Nc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Nc1nc2c(nc(N)[nH]c2=O)s1
Nc1nc2c(nc[nH]c2=O)n1Cc1ccccc1
Nc1nc2cc(Cc3ccccc3)[nH]c2c(=O)[nH]1
Nc1nc2cc(Cc3ccco3)[nH]c2c(=O)[nH]1
Nc1nc2cc(Cc3cccs3)[nH]c2c(=O)[nH]1
Nc1nc2cc(Cc3ccsc3)[nH]c2c(=O)[nH]1
Nc1nc2cc(NCc3ccccc3)[nH]c2c(=O)[nH]1
Nc1nc2cc(NCc3ccco3)[nH]c2c(=O)[nH]1
Nc1nc2cc(NCc3cccs3)[nH]c2c(=O)[nH]1
Nc1nc2cc(NCc3ccsc3)[nH]c2c(=O)[nH]1
Nc1nc2cc([nH]c2c(=O)[nH]1)-c1cccnc1
Nc1nc2cc[nH]c2c(=O)[nH]1
Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCC(F)(F)P(O)(O)=O)ncc2c(=O)[nH]1
Nc1nc2n(CCCCCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCCCP(O)(O)=O)ncc2c(=O)[nH]1
Nc1nc2n(CCCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCCP(O)(O)=O)ncc2c(=O)[nH]1
Nc1nc2n(CCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(CCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
Nc1nc2n(CCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(CCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Nc1nc2n(COCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(COCCCCCCP(O)(O)=O)ncc2c(=O)[nH]1
Nc1nc2n(COCCCCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(COCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(COCCCCCP(O)(O)=O)ncc2c(=O)[nH]1
Nc1nc2n(COCCCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(COCCCCOP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(COCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(COCCCCP(O)(O)=O)nnc2c(=O)[nH]1
Nc1nc2n(COCCI)cnc2c(=O)[nH]1
Nc1nc2n(COCCO)c(Br)nc2c(=O)[nH]1
Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccc(COCP(O)(O)=O)cc3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccc(OCP(O)(O)=O)cc3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccc(cc3)P(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3cccc(C=CCP(O)(O)=O)c3)cnc2c(=O)[nH]1 |w:12.12|
Nc1nc2n(Cc3cccc(CCCP(O)(O)=O)c3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3cccc(COCCP(O)(O)=O)c3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3cccc(COCP(O)(O)=O)c3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3cccc(CSCP(O)(O)=O)c3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3cccc(OCP(O)(O)=O)c3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3C(F)C(F)(F)P([O-])([O-])=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12|
Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Nc1nc2n(Cc3ccccc3CC(F)(F)P([O-])([O-])=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3CCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3COCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3OCCCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(Cc3ccccc3OCP(O)(O)=O)cnc2c(=O)[nH]1
Nc1nc2n(ccc2c(=S)[nH]1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@@H]1O)C(=O)P(O)(O)=O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1CCN(C1)C(=O)P(O)(O)=O |r|
Nc1nc2nc(Cc3ccccc3)[nH]c2c(=O)[nH]1
Nc1nc2nc(Cc3ccco3)[nH]c2c(=O)[nH]1
Nc1nc2nc(Cc3cccs3)[nH]c2c(=O)[nH]1
Nc1nc2nc(Cc3ccsc3)[nH]c2c(=O)[nH]1
Nc1nc2nc(N)[nH]c(=O)c2[nH]1
Nc1nc2nc(NCc3ccccc3)[nH]c2c(=O)[nH]1
Nc1nc2nc(NCc3ccco3)[nH]c2c(=O)[nH]1
Nc1nc2nc(NCc3cccs3)[nH]c2c(=O)[nH]1
Nc1nc2nc(NCc3ccsc3)[nH]c2c(=O)[nH]1
Nc1nc2nc(Nc3cccnc3)[nH]c2c(=O)[nH]1
Nc1nc2nc([nH]c2c(=O)[nH]1)-c1cccnc1
Nc1nc2nc[nH]c(=O)c2[nH]1
Nc1nc2nc[nH]c2c(=O)[nH]1
Nc1nc2nn(COCCCCCP(O)(O)=O)nc2c(=O)[nH]1
Nc1ncnc2c(C[C@@H]3N[C@H](CO)[C@H](O)C3O)c[nH]c12 |r|
Nc1ncnc2n(ccc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
O=C1C=CC(=O)c2[nH]cnc12 |c:2|
O=C1C=CC(=O)c2c1nc(Cc1ccccc1)n2Cc1ccccc1 |c:2|
O=C1C=CC(=O)c2c1ncn2Cc1ccccc1 |c:2|
O=C1N[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N1)OCc1ccccc1
O=c1[nH]c(=O)c2[nH]cnc2n1Cc1ccccc1
O=c1[nH]c2n[nH]cc2c(=O)[nH]1
O=c1[nH]cnc2c(CC3CCCC3)c[nH]c12
O=c1[nH]cnc2c(CN3CCCC3)c[nH]c12
O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12
O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12
O=c1[nH]cnc2c(Cc3cccnc3)c[nH]c12
O=c1[nH]cnc2c(Cc3ccsc3)c[nH]c12
O=c1[nH]cnc2c(c[nH]c12)C(CC#N)c1cccnc1
O=c1[nH]cnc2c(c[nH]c12)C1CCCN1
O=c1[nH]cnc2ccccc12
O=c1[nH]cnc2n[nH]cc12
O=c1[nH]cnc2nc[nH]c12
O=c1cc[nH]c(=O)n1CCN1CCCC1
O=c1ccn(CCCCN2CCCC2)c(=O)[nH]1
O=c1ccn(CCCN2CCCC2)c(=O)[nH]1
O=c1ccn(CCN2CCCC2)c(=O)[nH]1
OC1CCN(Cc2c[nH]c3c2nc[nH]c3=O)C1
OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
OCC(CO)CNCc1c[nH]c2c1nc[nH]c2=O
OCC(CO)NC(CO)Cc1c[nH]c2c1nc[nH]c2=O
OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r|
OCC(O)C(CO)CNCc1c[nH]c2c1nc[nH]c2=O
OCC(O)C(CO)NCc1c[nH]c2c1nc[nH]c2=O
OCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O
OCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
OCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O
OCC1NC(C(O)C1O)c1c[nH]c2c1nc[nH]c2=O
OCCCCNCc1c[nH]c2c1nc[nH]c2=O
OCCCCn1cnc2c1nc[nH]c2=O
OCCCN(CCO)Cc1c[nH]c2c1nc[nH]c2=O
OCCCNCc1c[nH]c2c1nc[nH]c2=O
OCCN(CCO)Cc1c[nH]c2c1nc[nH]c2=O
OCCN(C[C@@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O |r|
OCCN(C[C@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O |r|
OCCN(Cc1c[nH]c2c1nc[nH]c2=O)C(CO)CO
OCCNCc1c[nH]c2c1nc[nH]c2=O
OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
OC[C@@H](O)C(CO)CNCc1c[nH]c2c1nc[nH]c2=O
OC[C@@H](O)C(CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H](O)CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1 |r|
OC[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H]1CC(O)[C@@H](N1)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H]1CCCN1CCCCn1ccc(=O)[nH]c1=O |r|
OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O |r|
OC[C@@H]1CCCN1CCn1c(=O)cc[nH]c1=O |r|
OC[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r|
OC[C@@H]1N[C@@H]([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
OC[C@@H]1[C@H](O)C(O)CN1Cc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@H]1[C@H](O)C(O)CN1c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
OC[C@@]1(NC[C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H](O)CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1
OC[C@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H](O)[C@H](O)[C@H](O)CNCc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1CN(Cc2[nH]nc3c2nc[nH]c3=O)CC1O
OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O |r|
OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
OC[C@H]1C[C@@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1NC(CC1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O |r|
OC[C@H]1NC([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O
OC[C@H]1N[C@@H](Cc2c[nH]c3c2nc[nH]c3=O)C(O)[C@H]1O |r|
OC[C@H]1N[C@@H](c2c[nH]c3c2nc[nH]c3=O)C(F)(F)[C@H]1O |r|
OC[C@H]1N[C@H](C(O)[C@H]1O)c1c(F)[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1N[C@H](C(O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=S |r|
OC[C@H]1N[C@H](C[C@H]1O)c1c[nH]c2c1nc[nH]c2=O
OC[C@H]1N[C@H]([C@@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c([nH]c2c1nc[nH]c2=O)C(O)=O |r|
OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1cc2nc[nH]c(=O)c2[nH]1 |r|
OC[C@H]1N[C@H]([C@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1OC(C(O)C1O)c1c[nH]c2c1nc[nH]c2=O |r|
OC[C@H]1OC([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC2C1=NC=NC2=O |r,c:17,t:10,15|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c1nc[nH]c2=O |r|
OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r|
OP(O)(=O)C(F)(F)C[C@@H]1CCOC[C@@H]1Cn1cnc2c1nc[nH]c2=O |r|
OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O
OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O
OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O
OP(O)(=O)CCCCCn1cnc2c1nc[nH]c2=O
OP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1[nH]c(=O)[nH]c2=O
O[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r|
O[C@@H]1[C@@H](CCl)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](CI)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](CSc2ccccc2)N[C@H]([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](CSc2ccccc2)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
O[C@@H]1[C@@H](I)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
O[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
O[C@H]1[C@@H](CF)N[C@H](C1O)c1c[nH]c2c1nc[nH]c2=O
Oc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(OCc2ccccc2)c1
Oc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Oc1ccc(O)c2c1nc[nH]c2=O
Oc1cccc2c1nc[nH]c2=O
Oc1cccc2nc[nH]c(=O)c12
Oc1ncn(Cc2ccccc2)c2ncnc12
S=c1[nH]cnc2nc[nH]c12