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56 SMILES Strings for ADORA3

Compound NameSMILES String
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM19254 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM18137 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM22926 CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM28422 C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50654 Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
BDBM82032 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
BDBM82525 Nc1ncnc2NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c12 |r|
BDBM82541 Nc1ncnc2n(c[n+]([O-])c12)C1OC(CO)C(O)C1O
BDBM82521 Cn1cnc2c1n(C)c(=O)[nH]c2=O
BDBM82522 Cn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM82523 Clc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
BDBM82524 CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82526 NC1=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N1)Sc1ccc(cc1)[N+]([O-])=O |r,t:1|
BDBM82527 CN(Cc1ccccc1)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82528 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
BDBM82529 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26|
BDBM82530 CN1CNc2c1[nH]c(=O)[nH]c2=O
BDBM82531 OCC1OC(C(O)C1O)n1cnc2c1nc[nH]c2=S
BDBM82533 Nc1ncnc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM82534 Cn1cnc2c1[nH]c(=O)n(C)c2=O
BDBM82535 O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
BDBM82536 CCCN1CN(CCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:9|
BDBM82537 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2C(N)N(O)C=Nc12 |c:23|
BDBM82538 CCCCN1CN(CCCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:11|
BDBM82539 Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82540 OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
BDBM82542 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM82543 CCCn1c2nc[nH]c2c(=O)[nH]c1=S
BDBM81822 Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
BDBM85036 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22|
BDBM85037 CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7|
BDBM85775 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM85618 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM85776 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM85777 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50021484 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
BDBM50028567 NCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50025883 Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50031231 Nc1ncnc2n(cnc12)C1OC(CO)CC1O
BDBM50031233 CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50034171 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50034179 Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)nc12
BDBM50042211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50053924 CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50096295 OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
BDBM50144945 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50194153 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
BDBM1 CN(C)N\N=C1\N=CN=C1C(N)=O |c:6,8|