| SMILES,Molecule Name,Target Name,Type | |
| CCC3=NC[C@@H](O)c2ncn([C@H]1C[C@@H](O)[C@@H](CO)O1)c2N3,CHEMBL35316_active,ADA,Active | |
| OCC3OC(n2cnc1[C@H](O)CN=CNc12)CC3O,CHEMBL360191_active,ADA,Active | |
| OC[C@H]3O[C@@H](n2cnc1[C@H](O)CCC=Nc12)CC3O,CHEMBL97627_active,ADA,Active | |
| OC[C@@H]3OC(n2cnc1[C@H](O)CCC=Nc12)[C@@H](O)[C@H]3O,CHEMBL604966_active,ADA,Active | |
| OC[C@H]3O[C@@H](n2cnc1[C@H](O)CN=CNc12)[C@H](O)[C@@H]3O,CHEMBL284483_active,ADA,Active | |
| CCCCCCCCCCn2cc1c(N)ncnc1n2,CHEMBL363042_active,ADA,Active | |
| CCCCCCCCCCCn2cc1c(N)ncnc1n2,CHEMBL190495_active,ADA,Active | |
| C[C@H](O)[C@@H](CCCc1ccccc1C)n2cnc3c(N)ncnc23,CHEMBL42063_active,ADA,Active | |
| C[C@H](O)[C@@H](CCCCc1ccccc1)n2cnc3c(N)ncnc23,CHEMBL295003_active,ADA,Active | |
| C[C@H](O)[C@@H](CCCc1ccccc1)n2cnc3c(N)ncnc23,CHEMBL295417_active,ADA,Active | |
| C[C@H](O)[C@@H](CCCCCc1ccccc1)n2cnc3c(N)ncnc23,CHEMBL43742_active,ADA,Active | |
| CCCCCCC(O)Cn2cc1c(N)ncnc1n2,CHEMBL191267_active,ADA,Active | |
| C[C@H](O)[C@@H](CCc1cccc(C)c1)n2cnc3c(N)ncnc23,CHEMBL418074_active,ADA,Active | |
| CCCCCC[C@H](C(C)O)n1cnc2c(N)ncnc12,CHEMBL280784_active,ADA,Active | |
| CCC/C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12,CHEMBL81390_active,ADA,Active | |
| CCCCCC[C@H]([C@H](C)O)N2(=O)C=Nc1c(N)ncnc12,CHEMBL127469_active,ADA,Active | |
| CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12,CHEMBL322906_active,ADA,Active | |
| Cn3cc(CC[C@H](CO)n1cnc(C(N)=O)c1)c4cc(OCCCc2ccc(Cl)cc2)ccc34,CHEMBL340297_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc2c(N)nccc12,CHEMBL18496_active,ADA,Active | |
| CCCCCC[C@H]([C@H](C)O)n1c(O)nc2c(N)ncnc12,CHEMBL123910_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc1ccccc1)cc23)cn4,CHEMBL125386_active,ADA,Active | |
| Cn4c(CCC(=O)Nc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3)nc5ccccc45,CHEMBL93280_active,ADA,Active | |
| CCCCCCCCCn2cc1c(N)ncnc1n2,CHEMBL189168_active,ADA,Active | |
| C[C@H](O)[C@@H](CCc2cccc3nc(c1ccc(Cl)cc1)oc23)n4cnc(C(N)=O)c4,CHEMBL359803_active,ADA,Active | |
| C[C@H](O)[C@@H](CCc2cccc3oc(c1ccc(Cl)cc1)nc23)n4cnc(C(N)=O)c4,CHEMBL436332_active,ADA,Active | |
| C[C@H](O)[C@@H](CCOc2ccc1ccccc1c2)n3cnc(C(N)=O)c3,CHEMBL92404_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc2c(N)ccnc12,CHEMBL18838_active,ADA,Active | |
| C[C@H](O)[C@@H](CCc1cccc2ccccc12)n3cnc(C(N)=O)c3,CHEMBL93560_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc1ccccc1)cc23)cn4,CHEMBL121939_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCCc1ccccc1)cc23)cn4,CHEMBL123620_active,ADA,Active | |
| C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n2cnc(C(N)=O)c2,CHEMBL328139_active,ADA,Active | |
| CCCCCCOc3ccc2n(C)cc(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3,CHEMBL125038_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccc(Cl)cc1)cc23)cn4,CHEMBL340557_active,ADA,Active | |
| CCCCCC[C@H]([C@H](C)O)N2(=O)C(=O)Nc1c(N)ncnc12,CHEMBL332871_active,ADA,Active | |
| CC3=NC[C@@H](O)c2ncn([C@H]1C[C@@H](O)[C@@H](CO)O1)c2N3,CHEMBL33910_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc1cccnc1)cc23)cn4,CHEMBL340086_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(OCCCc1ccccc1)cc23)cn4,CHEMBL332298_active,ADA,Active | |
| CCCCCC(=O)Nc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3,CHEMBL334197_active,ADA,Active | |
| Cn3cc(CC[C@H](CO)n1cnc(C(N)=O)c1)c4cc(OCCCc2ccccc2)ccc34,CHEMBL334172_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc1ccccc1)cc23)cn4,CHEMBL338076_active,ADA,Active | |
| Cc4ccc(CCCC(=O)Nc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3)cc4,CHEMBL124728_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc(C(N)=O)c1,CHEMBL17825_active,ADA,Active | |
| Cc4ccc(CCC(=O)Nc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3)cc4,CHEMBL121714_active,ADA,Active | |
| COC(=O)c1cc(C)ccc1CCCn3cnc2C(O)CN=CNc23,CHEMBL35777_active,ADA,Active | |
| CCCCCC[C@H](CO)n1cnc2c(N)ncnc12,CHEMBL335918_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc(C(S)=N)c1,CHEMBL18433_active,ADA,Active | |
| CNOC(=O)c3ccc(C)c(CCCn2cnc1C(O)CN=CNc12)c3,CHEMBL36986_active,ADA,Active | |
| CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12,CHEMBL81378_active,ADA,Active | |
| CCCCCCC(C(C)O)n2cc1c(N)ncnc1n2,CHEMBL190280_active,ADA,Active | |
| CCCCCCOc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3,CHEMBL333809_active,ADA,Active | |
| CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12,CHEMBL132135_active,ADA,Active | |
| COc4ccc(CCC(=O)Nc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3)cc4,CHEMBL125208_active,ADA,Active | |
| COC(=O)c1ccc(C)cc1CCCn3cnc2C(O)CN=CNc23,CHEMBL290111_active,ADA,Active | |
| CCCCCCC(C(C)O)N1N=CC2C1N=CN=C2N,CHEMBL193289_active,ADA,Active | |
| CCCCCC[C@@H](C(C)O)n1cnc2c(N)ncnc12,CHEMBL286164_active,ADA,Active | |
| COC(=O)c3ccc(C)c(CCCn2cnc1C(O)CN=CNc12)c3,CHEMBL37183_active,ADA,Active | |
| NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc1ccccc1)cc23)cn4,CHEMBL420174_active,ADA,Active | |
| C[C@@H](O)[C@H](COCCc1ccccc1)n2cnc3c(N)ncnc23,CHEMBL606664_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc2cnccc12,CHEMBL329644_active,ADA,Active | |
| CCCCOC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12,CHEMBL606665_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc(C(N)=O)c1Cl,CHEMBL18078_active,ADA,Active | |
| COC(=O)c3ccc(OC)c(CCCn2cnc1C(O)CN=CNc12)c3,CHEMBL290770_active,ADA,Active | |
| CCc3cccc(C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12)c3,CHEMBL43226_active,ADA,Active | |
| COC(=O)c3cccc(CCCn2cnc1C(O)CN=CNc12)c3,CHEMBL290381_active,ADA,Active | |
| COC(=O)c1ccccc1CCCn3cnc2C(O)CN=CNc23,CHEMBL290030_active,ADA,Active | |
| COC(=O)c2ccc1ccccc1c2CCCn4cnc3C(O)CN=CNc34,CHEMBL37181_active,ADA,Active | |
| Nc2ccnc3n(C1CC(O)C(CO)O1)cnc23,CHEMBL128787_active,ADA,Active | |
| CCCCOc3ccc2ccn(CC[C@H](CO)n1cnc(C(N)=O)c1)c2c3,CHEMBL125275_active,ADA,Active | |
| CNc2ccnc3n(C1CC(O)C(CO)O1)cnc23,CHEMBL405920_active,ADA,Active | |
| OCC3OC(n1cnc2c(NO)ccnc12)CC3O,CHEMBL306270_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cncn1,CHEMBL65628_active,ADA,Active | |
| CCCc1ccccc1C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23,CHEMBL606666_active,ADA,Active | |
| C[C@H](O)[C@@H](Cc1ccc(C)cc1)n2cnc3c(N)ncnc23,CHEMBL43261_active,ADA,Active | |
| COC(=O)c1c(F)cccc1CCCn3cnc2C(O)CN=CNc23,CHEMBL35724_active,ADA,Active | |
| CCCCCCCn2cnc1C(O)CN=CNc12,CHEMBL38218_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc(C(=O)NC)c1,CHEMBL17889_active,ADA,Active | |
| Nc2ccnc3n(C1O[C@H](CO)[C@@H](O)[C@H]1O)cnc23,CHEMBL17351_active,ADA,Active | |
| CCCCCCCCn2cnc1C(O)CN=CNc12,CHEMBL290949_active,ADA,Active | |
| CCCCCCn2cnc1C(O)CN=CNc12,CHEMBL37246_active,ADA,Active | |
| CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)nccc12,CHEMBL104714_active,ADA,Active | |
| CCOC(=O)c4cc(CCn2cnc1C(O)CN=CNc12)c3CCCCc3c4Br,CHEMBL157669_active,ADA,Active | |
| CCCCCCCCn2cc1c(N)ncnc1n2,CHEMBL364717_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc2cccnc12,CHEMBL96719_active,ADA,Active | |
| NC(=O)c3cn(C(CO)CCc1cccc2ccccc12)cn3,CHEMBL327830_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnnn1,CHEMBL292750_active,ADA,Active | |
| NC(=N)Nc4nc(c3ccc(CNc2nc1ccccc1[nH]2)s3)cs4,CHEMBL93647_active,ADA,Active | |
| CCCCCCC(C(C)O)n1ccnc1,CHEMBL64503_active,ADA,Active | |
| OC1CN=CNc2c1ncn2CCc5cc(C(=O)OCc3ccccc3)cc4CCCCc45,CHEMBL157723_active,ADA,Active | |
| CCCCCCCn2cc1c(N)ncnc1n2,CHEMBL426443_active,ADA,Active | |
| CCCCCC[C@H]([C@@H]1CO1)n2cnc3c(N)ncnc23,CHEMBL132985_active,ADA,Active | |
| CCCCCCC(C(C)O)n1cnc(C(=O)NCCO)c1,CHEMBL18188_active,ADA,Active | |
| COC(=O)CCCCCCCn2cnc1C(O)CN=CNc12,CHEMBL38306_active,ADA,Active | |
| CCOC(=O)CCCCCCn2cnc1C(O)CN=CNc12,CHEMBL37053_active,ADA,Active | |