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591 SMILES Strings for Alpha-2C adrenergic receptor

Compound NameSMILES String
BDBM50453799 COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM22541 NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM27213 O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM30993 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM42323 CC(=O)c1ccc2Sc3ccccc3Nc2c1
BDBM54817 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
BDBM55436 C(C1=NCCN1)c1ccccc1 |t:1|
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM82519 [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM81444 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81926 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |t:7|
BDBM81979 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
BDBM81984 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81807 CCC1(Cc2ccccc2C1)c1cnc[nH]1
BDBM81811 CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
BDBM81772 COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1
BDBM81773 CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|
BDBM81780 CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86198 N[C@H]1CCSC1=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86202 NC(CCS)C(O)=O
BDBM86203 NC(CS)C(O)=O
BDBM86205 N[C@@H]1CCSC1=O |r|
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM86284 CNC(C)C(O)c1ccccc1
BDBM86285 CNC(C)C(=O)c1ccccc1
BDBM86286 CC(N)C(=O)c1ccccc1
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM86058 COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM86061 CCn1c2nocc2c(=O)[nH]c1=O
BDBM86187 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM85231 Clc1cccc(Cl)c1N(CC=C)C1=NCCN1 |t:13|
BDBM85232 Fc1cccc(Cl)c1C1CN2CCN=C2C1 |c:14|
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM85233 C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|
BDBM85234 CCn1ccnc1CC1COc2ccccc2O1
BDBM85235 [#6]-[#6]-c1cccc(-[#6]-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM84342 CNCC(O)c1ccc(O)c(O)c1
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86731 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM50002903 CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|
BDBM50002904 CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
BDBM50002905 CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
BDBM50131349 [H][C@@]12COc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C/c2ccccc2)CC1 |c:16|
BDBM50004327 OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50002334 Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50004923 Oc1cc2CCNCC(c3ccccc3)c2cc1O
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50019492 COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
BDBM50019646 CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
BDBM50019729 Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|
BDBM50022722 CC(N)C(O)c1ccccc1
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50020192 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50021812 [#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50027502 CC(N)C(O)c1ccc(O)c(O)c1
BDBM50027031 Clc1ccccc1NCC1=NCCN1 |t:10|
BDBM50027056 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12
BDBM50027058 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50027069 Cc1cccc(C)c1N=C1NCCCS1 |w:8.8|
BDBM50026636 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50000214 C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50033111 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
BDBM50033112 COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
BDBM50033113 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
BDBM50030612 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r,t:4|
BDBM50030613 CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50030614 CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
BDBM50030615 CCc1sc2ccc(Cl)c3CCN(C)Cc1c23
BDBM50030617 Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
BDBM50030619 CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23
BDBM50030621 COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
BDBM50030622 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|
BDBM50030623 [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
BDBM50030624 COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034681 COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50050093 [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50050094 CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|
BDBM50052880 [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50052881 [#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50052882 [#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50057128 COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
BDBM50055827 COc1ccc(Nc2ncc[nH]2)c(C)c1
BDBM50055828 Brc1c(Nc2ncc[nH]2)ccc2nccnc12
BDBM50055829 Cc1c(Nc2ncc[nH]2)ccc2nccnc12
BDBM50055830 Cc1c(Nc2ncc[nH]2)ccc2OCCNc12
BDBM50055831 N(c1ncc[nH]1)c1ccc2nc[nH]c2c1
BDBM50055832 Cc1c(Nc2ncc[nH]2)ccc2OCCOc12
BDBM50055833 Brc1ccccc1Nc1ncc[nH]1
BDBM50055834 COc1ccc(Nc2ncc[nH]2)c(C)c1OC
BDBM50055835 COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C
BDBM50055836 Clc1cccc(Cl)c1Nc1ncc[nH]1
BDBM50055837 COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C
BDBM50055838 N(c1ncc[nH]1)c1ccc2nccnc2c1
BDBM50060964 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM50060965 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
BDBM50068818 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50081824 CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081826 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
BDBM50081828 CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081817 CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50081818 CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
BDBM50081819 CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
BDBM50081821 CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
BDBM50081823 CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50085676 Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
BDBM50085677 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
BDBM50085678 C1CC(c2cnc[nH]2)c2ccsc2C1
BDBM50085683 C[C@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50090647 C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50090326 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090328 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090330 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090332 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
BDBM50090333 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090335 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
BDBM50090338 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
BDBM50090339 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50099322 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099325 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
BDBM50106345 CN1CCN(CC1)c1ccc(N)cc1
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50114974 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50130290 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50131357 Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
BDBM50131358 COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131359 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131360 C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|
BDBM50131361 COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131362 COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|
BDBM50131363 COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|
BDBM50131364 COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|
BDBM50131365 COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131366 COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131367 COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131368 COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|
BDBM50131346 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131347 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131348 COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|
BDBM50131350 COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|
BDBM50131351 COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131352 COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|
BDBM50131353 COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131354 COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131355 COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131356 COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|
BDBM50146498 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146499 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146500 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50146501 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31|
BDBM50146502 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146503 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:29|
BDBM50146504 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146505 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5F)CC4)ON=C3c2cc1OC |c:29|
BDBM50146506 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:30|
BDBM50146507 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5F)CC4)ON=C3c2cc1OC |c:31|
BDBM50146508 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(Cl)cc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50146509 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50146510 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146511 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30|
BDBM50146512 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
BDBM50146513 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146514 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
BDBM50146515 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
BDBM50146516 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC |c:28|
BDBM50146517 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5F)CC4)ON=C3c2cc1OC |c:31|
BDBM50146518 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
BDBM50146360 CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
BDBM50132341 COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
BDBM50160146 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50158601 C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50159249 c1ccc2ccccc2c1
BDBM50159018 C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
BDBM50159021 C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
BDBM50162956 CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
BDBM50162957 CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162958 CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
BDBM50162959 CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162960 CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50162961 CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50162963 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
BDBM50162964 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
BDBM50162965 CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50024304 [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
BDBM50024302 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:16|
BDBM50024303 [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12|
BDBM50024306 [H][C@@]12C=Cc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,12|
BDBM50024307 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ncccc3c2)CC1 |c:16|
BDBM50024305 [H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,14|
BDBM50024308 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc(Cl)cc2)CC1 |c:16|
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50163468 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50163469 CC(=O)N1C[C@H]2[C@H](CN3CCN(CCC\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |c:28|
BDBM50163474 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50163475 CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:13|
BDBM50163477 COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9|
BDBM50163479 CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
BDBM50163483 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50163484 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50163487 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50163489 CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8|
BDBM50163491 COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
BDBM50163494 COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:6|
BDBM50163498 C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC4CCCC4)ccc32)CC1)=C/c1ccccc1 |c:10|
BDBM50167573 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(=O)OCc1ccccc1
BDBM50167574 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12
BDBM50167575 NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50167576 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50167577 COC(=O)CNC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50167578 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCNC(=O)OCc1ccccc1
BDBM50167579 CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50167580 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(O)=O
BDBM50167581 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(O)=O
BDBM50167582 COC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50173162 [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
BDBM50173164 [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50180256 C[C@@H](N)Cn1ncc2ccc(O)cc12
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50185473 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50185474 OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
BDBM50196111 CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
BDBM50196112 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1
BDBM50196113 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
BDBM50196114 Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
BDBM50196115 CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
BDBM50196116 C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
BDBM50196117 CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
BDBM50196118 CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
BDBM50196119 CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
BDBM50196120 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
BDBM50196121 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1
BDBM50196122 CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM50196123 CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
BDBM50196124 C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
BDBM50196125 C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
BDBM50196126 C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
BDBM50196127 C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
BDBM50196128 CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
BDBM50196129 CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
BDBM50196130 CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
BDBM50196131 CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
BDBM50196132 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
BDBM50196133 CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
BDBM50196134 C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
BDBM50196135 CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM50196136 CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
BDBM50196137 CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1
BDBM50196138 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1
BDBM50196139 CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
BDBM50196140 C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
BDBM50196141 CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1
BDBM50196142 CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
BDBM50196143 CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
BDBM50196145 C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
BDBM50196146 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
BDBM50196147 CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
BDBM50196148 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
BDBM50196106 CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
BDBM50196107 CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
BDBM50196108 CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
BDBM50196109 Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
BDBM50196110 CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
BDBM50200351 Oc1cc2OCC3NCc4ccccc4C3c2cc1O
BDBM50203553 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC
BDBM50203554 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC
BDBM50203555 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3)Cc2cc1OC
BDBM50203556 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC
BDBM50203557 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC
BDBM50203558 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)|
BDBM50203559 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC
BDBM50203560 COc1cc2CCN(Cc3cnc(N)n4nc(nc34)-c3ccco3)Cc2cc1OC
BDBM50203561 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC
BDBM50203562 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
BDBM50203563 COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3C(F)(F)F)Cc2cc1OC
BDBM50203564 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50203565 COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1
BDBM50209684 COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
BDBM50209685 COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50218115 C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50232152 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50250422 COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50263724 C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
BDBM50263725 C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
BDBM50263618 COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
BDBM50263619 O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
BDBM50263620 O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
BDBM50263621 O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
BDBM50263774 O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
BDBM50263775 O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
BDBM50263671 CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
BDBM50263672 CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
BDBM50263673 CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
BDBM50263674 O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
BDBM50242259 [#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
BDBM50262235 C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
BDBM50253754 CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50267508 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50267510 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50269979 CC[C@@H]1O[C@@](\C=C\C2CC2)(c2c(F)c(F)ccc2NC1=O)C(F)(F)F |r|
BDBM50267554 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50288954 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50305341 Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10|
BDBM50305342 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
BDBM50305343 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
BDBM50299165 CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
BDBM50299166 CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
BDBM50311076 COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1
BDBM50307216 Brc1cccc(Cn2ccnc2)c1
BDBM50320446 CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50318294 OC[C@H]1O[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50325822 Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50334456 CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
BDBM50362863 Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362864 Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50362865 Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50366618 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
BDBM50384286 C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
BDBM50383522 C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
BDBM50384293 C(C1CCCCC1)N1CCCC1
BDBM50387823 CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
BDBM50387824 CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|
BDBM50387825 Clc1ccccc1N=C1CCCN1 |w:7.7|
BDBM50387826 CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|
BDBM50387827 CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
BDBM50401359 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401361 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50401362 COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
BDBM50401363 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401367 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401368 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50401375 COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401376 COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401382 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401383 COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401384 COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50403957 CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403962 CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403974 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
BDBM50403975 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
BDBM50403976 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
BDBM50403978 CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
BDBM50403737 Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
BDBM50403738 Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403739 Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403740 Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403741 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1
BDBM50403742 Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403743 COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
BDBM50403744 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403745 COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403746 Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
BDBM50403747 Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403748 Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403749 Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1
BDBM50403750 Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403751 O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
BDBM50403752 Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
BDBM50403753 Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403754 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
BDBM50403755 Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50415135 CC(OC1=NCCN1)c1ccccc1 |t:3|
BDBM50415136 CC(OC1=NCCN1)c1ccccc1CC=C |t:3|
BDBM50415137 CC(OC1=NCCN1)c1ccccc1C |t:3|
BDBM50415138 CCCc1ccccc1C(C)OC1=NCCN1 |t:13|
BDBM50415139 CC(OC1=NCCN1)c1ccccc1C1CC1 |t:3|
BDBM50415140 CCCc1ccccc1COC1=NCCN1 |t:12|
BDBM50415141 Cc1ccccc1COC1=NCCN1 |t:10|
BDBM50401674 COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
BDBM50401675 Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1
BDBM50417342 C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
BDBM50417343 C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
BDBM50417341 C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
BDBM50417344 CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
BDBM50417345 C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
BDBM50417346 C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
BDBM50417347 CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|
BDBM50417348 C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|
BDBM50417349 C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|
BDBM50417350 CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
BDBM50417351 C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|
BDBM50417352 C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|
BDBM50417353 C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50417354 C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50417006 C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
BDBM50417007 CCC1(Cc2ccc(F)cc2C1)c1cnc[nH]1
BDBM50417008 C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|
BDBM50417009 CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
BDBM50417010 CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
BDBM50417011 C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417012 CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417013 CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417014 CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417015 CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417016 CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417017 CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417018 CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
BDBM50417019 C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
BDBM50417020 C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50417021 CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
BDBM50412244 CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|
BDBM50412245 CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
BDBM50412247 CCO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:15|
BDBM50412248 CO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:14|
BDBM50412249 CC(Oc1ccccc1CN=O)C1=NCCN1 |t:13|
BDBM50412250 CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
BDBM50412251 C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|
BDBM50412246 CC(Oc1ccccc1\C=N\OCc1ccccc1)C1=NCCN1 |t:21|
BDBM50412258 CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|
BDBM50412260 CC(Oc1ccccc1)C1=NCCN1 |t:10|
BDBM50412252 COC1(COc2cccc(-c3ccccc3)c2O1)C1=NCCN1 |t:21|
BDBM50412253 C1CN=C(N1)C1COc2cccc(-c3ccccc3)c2O1 |c:2|
BDBM50412254 C1CN=C(N1)C1COc2ccc(cc2O1)-c1ccccc1 |c:2|
BDBM50412255 C1CN=C(N1)C1COc2cc(ccc2O1)-c1ccccc1 |c:2|
BDBM50412256 C1CN=C(N1)C1COc2c(O1)cccc2-c1ccccc1 |c:2|
BDBM50412257 C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
BDBM50418050 CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
BDBM50419882 CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 |t:14|
BDBM50419883 CC(Oc1ccccc1C=O)C1=NCCN1 |t:12|
BDBM50419884 CCc1cccc(CC)c1OC(C)C1=NCCN1 |t:14|
BDBM50419885 CC(Oc1c(CC=C)cccc1CC=C)C1=NCCN1 |t:16|
BDBM50419886 CCc1ccccc1OC(C)C1=NCCN1 |t:12|
BDBM50419887 CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|
BDBM50419888 CC(Oc1ccccc1C(C)=O)C1=NCCN1 |t:13|
BDBM50419889 CC(Oc1c(C)cccc1C)C1=NCCN1 |t:12|
BDBM50419890 CC(Oc1ccccc1Cl)C1=NCCN1 |t:11|
BDBM50419891 CC(Oc1ccccc1OC=C)C1=NCCN1 |t:13|
BDBM50421231 NCCSc1nc2ccccc2o1
BDBM50419925 C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
BDBM50419926 C1CN=C(N1)[C@@H]1CO[C@H](CO1)c1ccccc1 |r,c:2|
BDBM50419927 C1CN=C(N1)[C@@H]1COC[C@@H](O1)c1ccccc1 |r,c:2|
BDBM50419928 C1CN=C(N1)[C@@H]1COC[C@H](O1)c1ccccc1 |r,c:2|
BDBM50419929 C1CN=C(N1)C1COC(CO1)(c1ccccc1)c1ccccc1 |c:2|
BDBM50419930 C1CN=C(N1)C1COCC(O1)(c1ccccc1)c1ccccc1 |c:2|
BDBM50419931 C1CN=C(N1)[C@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
BDBM50419873 CC(Oc1c(cccc1-c1ccccc1)-c1ccccc1)C1=NCCN1 |t:24|
BDBM50419874 CC(Oc1ccccc1Br)C1=NCCN1 |t:11|
BDBM50419875 CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 |t:14|
BDBM50419876 CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|
BDBM50419877 CC(Oc1ccccc1C(C)=C)C1=NCCN1 |t:13|
BDBM50419878 CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
BDBM50419879 CCOc1ccccc1OC(C)C1=NCCN1 |t:13|
BDBM50419880 CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|
BDBM50419881 COc1ccccc1OC(C)C1=NCCN1 |t:12|
BDBM50420341 C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
BDBM50420342 C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM50017964 C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
BDBM50018019 Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
BDBM50024310 [H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:2,14|
BDBM50024309 [H][C@@]12CN(C(=O)OCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
BDBM50024313 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C(/C)c2ccccc2)CC1 |c:16|
BDBM50024314 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCOc2ccc(F)cc2)CC1 |c:16|
BDBM50024316 [H][C@@]12COc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
BDBM50024318 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:16|
BDBM50024319 [H][C@@]12CN(C)c3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCC\C(C)=C\c2ccccc2)CC1 |c:17|
BDBM50024311 [H][C@@]12CN(C(=O)NCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
BDBM50024312 [H][C@@]12CN(C)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:13|
BDBM50079576 [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
BDBM50044849 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
BDBM50024301 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|
BDBM50070042 Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
BDBM50070328 C1CC1C(NC1=NCCO1)C1CC1 |t:6|
BDBM50076240 Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
BDBM50070798 NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM50079575 [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
BDBM50051838 OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
BDBM255474 Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
BDBM50114872 COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
BDBM50140053 Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50097707 C(Nc1ccccc1-c1cccnc1)c1ccncc1
BDBM50097708 Cc1ccccc1NCc1ccncc1
BDBM50097711 Cc1ccccc1NCc1cnc[nH]1
BDBM50097712 NCCc1ccccc1-c1cccc(c1)C#N
BDBM50097714 O=C(CCC1CCCC1)N1CCSC11CCNCC1
BDBM50097716 COc1ccccc1OCC1CNCCO1
BDBM50097718 CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
BDBM50097720 COc1ccc(cc1)C1NCCCn2cccc12
BDBM50097721 CN1CCN(CC1)c1ccccc1N
BDBM50097722 CN1CCN(CC1)c1cccc(N)c1
BDBM50108094 Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50097713 CC(C)NCc1nccn1Cc1ccccc1C
BDBM50097715 NCC(=O)Nc1ccccc1Oc1ccccc1
BDBM50097719 C(NCc1cccnc1)c1c[nH]c(n1)-c1ccccc1
BDBM50140054 Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140055 Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140056 Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140058 C=CCN(CCc1c[nH]c2ccccc12)CC=C
BDBM50097717 NCCCN(C(=O)c1ccccc1)c1ccccc1
BDBM50148852 Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50212993 C1CN=C(NC2CCCCCC2)O1 |t:2|
BDBM50212994 C1CN=C(O1)N1CCOCC1 |c:2|
BDBM50212995 C1CN=C(NC2CCCc3ccccc23)O1 |t:2|
BDBM50212996 C1COC(NC2CCCc3ccccc23)=NC1 |c:16|
BDBM50212997 CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|
BDBM50193034 Cc1ccccc1NCC1=NCCN1 |t:10|
BDBM50193035 C=CCc1ccccc1NCC1=NCCN1 |t:12|
BDBM50193036 CCCc1ccccc1NCC1=NCCN1 |t:12|