BindingDB logo
myBDB logout

872 SMILES Strings for Alpha-2A 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
BDBM13014 Clc1ccc2CCNCc2c1Cl
BDBM13017 NS(=O)(=O)c1ccc2CCNCc2c1
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM22541 NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
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
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM34153 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|
BDBM34154 CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
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|
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM42323 CC(=O)c1ccc2Sc3ccccc3Nc2c1
BDBM55436 C(C1=NCCN1)c1ccccc1 |t:1|
BDBM60917 Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
BDBM67545 CN(C)CCCN1c2ccccc2Sc2ccccc12
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM78434 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM78576 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM82520 CC1N(CC2=NCCN2)Cc2ccccc12 |t:4|
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM82437 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
BDBM82438 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
BDBM82439 CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
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|
BDBM81802 CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 |t:8|
BDBM81979 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
BDBM81803 CCOC1(COc2ccccc2O1)C1=NCCN1 |t:15|
BDBM81804 Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM81805 C=CCN1Cc2ccccc2-c2ccccc2C1
BDBM81984 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81806 C=CCn1c(cc2ccccc12)C1=NCCN1 |t:14|
BDBM81807 CCC1(Cc2ccccc2C1)c1cnc[nH]1
BDBM81808 CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
BDBM81809 Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1
BDBM81810 CS(=O)(=O)NCCN(C1CCN2CCc3ccccc3C2C1)S(C)(=O)=O
BDBM81811 CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
BDBM81813 Cc1cccc(C)c1CCc1cnc[nH]1
BDBM81814 Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM81815 CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1
BDBM81816 CCCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
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
BDBM86441 CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
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
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
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
BDBM85805 COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
BDBM85197 Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
BDBM85198 CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
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|
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50004327 OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50002151 C1CN(CCN1)c1nccn2ccnc12
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
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
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
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50014247 COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
BDBM50017720 C(C1COc2ccccc2O1)N1CCCCC1
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
BDBM50017452 Clc1cncc(n1)N1CCNCC1
BDBM50019492 COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
BDBM50019646 CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50022722 CC(N)C(O)c1ccccc1
BDBM50455096 COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50019855 CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
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
BDBM50028066 N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
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
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|
BDBM50027067 FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
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|
BDBM50027024 Fc1cccnc1N1CCNCC1
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
BDBM50031301 Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|
BDBM50031306 NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
BDBM50031308 COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|
BDBM50031311 Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|
BDBM50031316 COc1cccc2CC3(CNC=N3)CCc12 |c:11|
BDBM50031319 C1NC=NC11CCc2ccccc2C1 |c:2|
BDBM50031324 Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|
BDBM50031326 COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|
BDBM50031330 COc1cccc2CCC3(CNC=N3)Cc12 |c:12|
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
BDBM50036910 CC(c1cnc[nH]1)c1cccc2ccccc12
BDBM50036911 OC(c1cnc[nH]1)c1cccc2ccccc12
BDBM50036912 OC(c1cnc[nH]1)(c1cccc2ccccc12)C(F)(F)F
BDBM50036913 CC(c1cnc[nH]1)c1cccc(C)c1C
BDBM50036914 C(c1cnc[nH]1)c1cccc2ccccc12
BDBM50036915 O=C(c1cnc[nH]1)c1cccc2ccccc12
BDBM50036916 COC(c1cnc[nH]1)c1cccc2ccccc12
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|
BDBM50040253 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM50040260 COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
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|
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
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|
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50072991 [O-][N+](=O)c1ccc2CCNCc2c1
BDBM50073444 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
BDBM50079527 CN(C)CC\C=C1\c2ccccc2COc2ccccc12
BDBM50079900 [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50079902 FC(F)(F)C1Cc2ccc(Br)cc2CN1
BDBM50077537 OCC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077543 CC1Cc2ccc(cc2CN1)[N+]([O-])=O
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|
BDBM50080521 [O-][N+](=O)c1ccc2CC(CF)NCc2c1
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50083342 Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
BDBM50087153 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087154 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087145 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087146 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087147 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087148 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087149 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087150 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087024 CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
BDBM50087151 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087152 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50085676 Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
BDBM50085677 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
BDBM50085678 C1CC(c2cnc[nH]2)c2ccsc2C1
BDBM50085680 C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
BDBM50085681 c1cc2c(cccc2s1)-c1c[nH]cn1
BDBM50085682 C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|
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
BDBM50108659 COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50108653 COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
BDBM50108654 COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50118705 CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
BDBM50119380 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
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,)|
BDBM50130287 [#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
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|
BDBM50131440 CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
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|
BDBM50160906 [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
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
BDBM50167576 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
BDBM50166560 CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-5.24,-.68,;-3.84,-1.33,;-2.58,-.44,;-3.84,-2.87,;-2.49,-3.65,;-2.47,-5.2,;-1.16,-5.96,;.17,-5.19,;.16,-3.65,;1.49,-2.88,;2.83,-3.64,;4.16,-2.86,;5.49,-3.63,;6.82,-2.85,;7.58,-4.19,;5.73,-1.76,;8.13,-2.04,;9.48,-2.76,;10.79,-1.97,;10.76,-.43,;12.07,.39,;9.41,.3,;8.1,-.5,;6.74,.23,;6.7,1.77,;5.16,1.77,;8.24,1.77,;6.68,3.31,;2.83,-5.18,;1.5,-5.96,;-3.82,-5.98,;-5.17,-5.21,;-6.5,-5.98,;-7.83,-5.21,;-7.83,-3.66,;-6.5,-2.89,;-5.17,-3.66,)|
BDBM50166561 Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166562 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)|
BDBM50166563 CN(C)c1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-4.36,.26,;-2.96,-.38,;-1.7,.51,;-2.94,-1.92,;-1.59,-2.69,;-1.58,-4.25,;-.26,-5.02,;1.07,-4.25,;1.06,-2.71,;2.39,-1.92,;3.72,-2.69,;3.73,-4.23,;2.4,-5.02,;5.06,-1.92,;6.39,-2.71,;7.15,-1.36,;5.3,-3.79,;7.7,-3.51,;9.05,-2.78,;10.36,-3.58,;10.32,-5.12,;11.63,-5.93,;8.97,-5.86,;7.66,-5.05,;6.31,-5.79,;6.26,-7.31,;6.25,-8.85,;4.72,-7.31,;7.8,-7.31,;-2.93,-5.02,;-4.27,-4.25,;-5.62,-5.02,;-6.95,-4.25,;-6.95,-2.71,;-5.62,-1.94,;-4.29,-2.71,)|
BDBM50166564 CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 |(-4.52,4.4,;-3.12,3.75,;-1.82,4.59,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;10.2,-4.04,;7.78,-4.32,;9.64,-1.9,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166565 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.56,3.94,;7.02,3.94,;7.01,5.48,;5.48,3.94,;7.07,2.4,;8.42,1.67,;9.73,2.47,;11.08,1.74,;12.4,2.56,;11.11,.2,;9.81,-.61,;8.45,.13,;7.15,-.68,;6.05,.41,;7.92,-2.01,;5.82,-1.45,;4.49,-.68,;3.15,-1.45,;1.82,-.68,;1.83,.86,;3.16,1.63,;4.49,.86,;.5,1.63,;-.82,.88,;-.83,-.68,;-2.19,-1.45,;-3.52,-.66,;-4.85,-1.43,;-6.18,-.66,;-6.18,.88,;-4.85,1.65,;-3.52,.88,;-2.16,1.65,)|
BDBM50166551 CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
BDBM50166552 CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|
BDBM50166554 Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;9.64,-1.9,;7.78,-4.32,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166555 CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166556 CN(C)c1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
BDBM50166557 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.97,4.75,;7.43,4.75,;7.42,6.29,;5.89,4.74,;7.47,3.21,;8.83,2.49,;10.13,3.28,;11.49,2.56,;12.79,3.36,;11.53,1,;10.22,.21,;8.87,.95,;7.56,.13,;6.45,1.23,;8.31,-1.2,;6.23,-.64,;4.88,.12,;3.55,-.66,;2.22,.11,;.89,-.68,;.91,-2.22,;2.24,-2.99,;3.57,-2.2,;-.42,-2.99,;-1.74,-2.22,;-1.75,-.66,;-3.1,.11,;-4.45,-.68,;-5.78,.09,;-7.11,-.68,;-7.11,-2.22,;-5.78,-2.99,;-4.43,-2.22,;-3.1,-2.99,)|
BDBM50166559 CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)|
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50170175 CN(C)c1nc(NC2CCC(CC2)NCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(8.32,-4.94,;6.98,-5.71,;5.64,-4.94,;6.98,-7.26,;8.32,-8.03,;8.32,-9.57,;9.66,-10.37,;10.76,-9.27,;10.76,-10.8,;12.07,-11.57,;13.42,-10.81,;13.42,-9.27,;12.09,-8.5,;14.75,-11.58,;16.09,-12.35,;17.42,-11.57,;17.4,-10.04,;18.73,-9.26,;20.07,-10.02,;21.4,-9.24,;20.08,-11.56,;18.76,-12.35,;18.76,-13.89,;20.09,-14.66,;21.61,-14.08,;21.32,-15.35,;20.37,-16.23,;6.98,-10.34,;5.64,-9.57,;4.31,-10.34,;2.98,-9.57,;2.98,-8.04,;4.31,-7.26,;5.64,-8.03,)|
BDBM50170176 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Br)c2)nc2ccccc12 |wU:10.13,7.6,(.45,2.75,;-.88,1.98,;-2.22,2.73,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|
BDBM50170177 CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)|
BDBM50170178 CN(C)c1nc(N[C@@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:7.6,10.10,(-1.09,4.52,;-2.42,3.73,;-3.75,4.5,;-2.4,2.19,;-1.07,1.44,;-1.07,-.12,;.28,-.89,;1.62,-.12,;2.92,-.89,;4.25,-.12,;4.27,1.4,;5.61,2.16,;6.94,1.39,;8.27,2.17,;9.6,2.96,;6.93,2.94,;9.75,1.79,;9.76,.25,;11.11,-.51,;12.42,.27,;13.77,-.5,;12.42,1.81,;11.07,2.57,;11.06,4.12,;12.39,4.89,;13.89,4.33,;12.63,6.48,;13.59,5.6,;2.95,2.19,;1.62,1.42,;-2.4,-.89,;-3.73,-.12,;-5.06,-.89,;-6.39,-.12,;-6.39,1.42,;-5.06,2.19,;-3.73,1.42,)|
BDBM50170179 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)nc2ccccc12 |wU:10.13,7.6,(-2.22,2.73,;-.88,1.98,;.45,2.75,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|
BDBM50170180 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(1.9,3.91,;.57,3.14,;-.76,3.9,;.58,1.6,;1.92,.83,;1.92,-.71,;3.25,-1.47,;4.6,-.71,;5.93,-1.48,;7.26,-.71,;7.26,.83,;5.93,1.6,;4.58,.83,;8.59,1.6,;9.92,.83,;9.92,-.71,;11.25,1.6,;12.6,.83,;13.93,1.6,;13.93,3.14,;12.58,3.91,;12.58,5.45,;11.25,3.13,;.59,-1.49,;-.74,-.72,;-2.08,-1.5,;-3.41,-.73,;-3.41,.82,;-2.08,1.59,;-.74,.82,)|
BDBM50170182 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(-2.35,4.13,;-3.68,3.35,;-5.01,4.12,;-3.68,1.81,;-2.33,1.05,;-2.33,-.5,;-1,-1.24,;.35,-.49,;1.69,-1.27,;3.02,-.5,;3.02,1.04,;1.68,1.81,;.33,1.04,;4.35,1.81,;5.68,1.04,;5.68,-.5,;7.01,1.81,;8.35,1.04,;9.68,1.81,;9.68,3.35,;11.01,4.12,;8.34,4.12,;8.34,5.66,;7.01,3.35,;-3.66,-1.27,;-4.99,-.5,;-6.32,-1.28,;-7.65,-.51,;-7.65,1.03,;-6.32,1.81,;-4.99,1.04,)|
BDBM50170183 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |wU:10.13,7.6,(2.19,2.63,;.86,1.86,;-.48,2.61,;.87,.32,;2.2,-.45,;2.22,-1.99,;3.55,-2.75,;4.88,-1.99,;6.21,-2.76,;7.54,-1.99,;7.54,-.45,;6.21,.32,;4.88,-.45,;8.89,.32,;10.22,-.45,;10.22,-1.99,;11.55,.32,;12.89,-.45,;14.22,.32,;14.22,1.86,;12.86,2.63,;11.55,1.84,;12.86,4.17,;12.86,5.57,;14.1,5.18,;11.62,5.17,;.89,-2.78,;-.46,-2.01,;-1.79,-2.78,;-3.12,-2.01,;-3.12,-.47,;-1.79,.3,;-.46,-.47,)|
BDBM50170184 CN(C)c1nc(N[C@H]2CC[C@H](CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(1.6,-1.57,;2.94,-2.34,;4.28,-1.57,;2.95,-3.89,;4.28,-4.66,;4.3,-6.2,;5.64,-6.97,;6.97,-6.2,;6.99,-4.68,;8.3,-3.91,;9.63,-4.68,;9.63,-6.22,;8.3,-6.97,;10.97,-3.91,;12.3,-3.14,;13.63,-2.34,;10.8,-2.74,;13.79,-3.51,;13.79,-5.06,;15.14,-5.83,;16.46,-5.06,;17.81,-5.8,;16.46,-3.49,;15.1,-2.74,;15.09,-1.2,;16.43,-.41,;16.69,1.18,;17.65,.3,;17.93,-.97,;2.97,-6.97,;1.62,-6.2,;.29,-6.99,;-1.04,-6.22,;-1.04,-4.68,;.29,-3.89,;1.62,-4.66,)|
BDBM50170185 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2F)nc2ccccc12 |wU:10.13,7.6,(-4.15,2.37,;-2.8,1.6,;-1.47,2.38,;-2.79,.06,;-1.46,-.7,;-1.45,-2.25,;-.12,-2.99,;1.22,-2.24,;2.55,-3.02,;3.88,-2.25,;3.88,-.71,;2.55,.06,;1.21,-.71,;5.23,.06,;6.56,-.71,;6.56,-2.25,;7.89,.06,;9.22,-.71,;10.55,.06,;10.55,1.6,;11.88,2.37,;9.2,2.37,;9.2,3.91,;7.89,1.6,;6.54,2.37,;-2.78,-3.02,;-4.12,-2.25,;-5.45,-3.03,;-6.78,-2.26,;-6.78,-.72,;-5.45,.06,;-4.12,-.71,)|
BDBM50170186 CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
BDBM50170187 CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.25,5.67,;-7.59,4.9,;-8.94,5.67,;-7.59,3.36,;-6.25,2.59,;-6.25,1.04,;-4.9,.25,;-3.57,1.03,;-2.24,.26,;-2.24,-1.27,;-.93,-2.04,;.42,-1.29,;1.75,-2.06,;3.08,-1.29,;3.07,.26,;4.42,-2.06,;4.4,-3.6,;4.4,-.51,;5.75,-1.27,;5.73,.26,;7.06,1.04,;8.4,.28,;9.73,1.07,;8.41,-1.26,;7.09,-2.04,;7.09,-3.58,;8.42,-4.35,;9.65,-5.05,;8.69,-5.93,;9.94,-3.77,;.42,.25,;-.91,1.03,;-7.59,.27,;-8.92,1.04,;-10.25,.27,;-11.59,1.04,;-11.59,2.57,;-10.25,3.36,;-8.92,2.59,)|
BDBM50170189 CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)|
BDBM50170191 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
BDBM50170192 CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(9.05,-31.64,;7.7,-32.41,;6.37,-31.64,;7.7,-33.96,;9.05,-34.73,;9.05,-36.27,;10.39,-37.07,;11.49,-35.97,;11.48,-37.5,;12.8,-38.28,;14.15,-37.51,;15.48,-38.28,;16.81,-37.51,;18.14,-38.28,;19.48,-37.49,;19.46,-35.97,;20.79,-35.17,;22.13,-35.95,;23.46,-35.17,;22.14,-37.49,;20.82,-38.26,;20.82,-39.8,;22.15,-40.58,;23.67,-39.99,;23.38,-41.28,;22.42,-42.17,;14.15,-35.97,;12.81,-35.2,;7.7,-37.04,;6.37,-36.27,;5.03,-37.04,;3.7,-36.27,;3.7,-34.75,;5.03,-33.96,;6.37,-34.73,)|
BDBM50170193 COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1 |wU:13.13,16.20,(10.67,4.4,;9.34,3.62,;9.34,2.08,;10.69,1.31,;10.69,-.23,;12.02,-1,;13.35,-.22,;9.36,-1,;8.01,-.23,;8.01,1.3,;6.68,-1,;6.68,-2.54,;5.35,-.23,;4.02,-1,;4.02,-2.54,;2.69,-3.31,;1.35,-2.53,;1.34,-1,;2.68,-.23,;.01,-3.3,;-1.32,-2.54,;-1.32,-.99,;-2.66,-.23,;-2.68,1.31,;-1.35,2.09,;-4.01,2.07,;-3.98,-1.01,;-5.32,-.24,;-6.65,-1.01,;-6.65,-2.55,;-5.32,-3.32,;-3.98,-2.55,;-2.65,-3.32,)|
BDBM50170194 CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)|
BDBM50170195 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C#N)nc2ccccc12 |wU:10.13,7.6,(-2.35,2.79,;-1.02,2.02,;.31,2.8,;-1,.48,;.33,-.28,;.33,-1.83,;1.66,-2.57,;3.01,-1.82,;4.35,-2.6,;5.68,-1.83,;5.68,-.29,;4.32,.48,;2.99,-.29,;7.01,.48,;8.34,-.29,;8.34,-1.83,;9.67,.48,;11.01,-.29,;12.34,.48,;12.34,2.02,;11,2.79,;9.67,2.02,;11,4.33,;10.99,5.87,;-1,-2.6,;-2.33,-1.83,;-3.68,-2.61,;-4.99,-1.84,;-4.99,-.29,;-3.68,.48,;-2.33,-.29,)|
BDBM50170196 CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)|
BDBM50170198 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)|
BDBM50170199 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)nc2ccccc12 |wU:10.13,7.6,(-.37,3.9,;.98,3.14,;2.31,3.91,;.99,1.6,;2.32,.83,;2.33,-.71,;3.66,-1.47,;5,-.71,;6.33,-1.48,;7.66,-.71,;7.66,.83,;6.33,1.6,;4.99,.83,;9.01,1.6,;10.34,.83,;10.34,-.71,;11.67,1.6,;11.67,3.13,;12.98,3.91,;14.33,3.14,;15.66,3.91,;14.33,1.6,;13,.83,;1,-1.49,;-.34,-.72,;-1.67,-1.5,;-3,-.73,;-3,.82,;-1.67,1.59,;-.34,.82,)|
BDBM50170200 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12 |wU:10.13,7.6,(-2.82,1.96,;-1.49,1.21,;-.16,1.98,;-1.47,-.33,;-.13,-1.1,;-.13,-2.64,;1.2,-3.41,;2.54,-2.64,;3.88,-3.41,;5.21,-2.64,;5.21,-1.1,;3.86,-.33,;2.53,-1.1,;6.54,-.33,;7.87,-1.1,;7.87,-2.64,;9.2,-.33,;10.55,-1.1,;11.88,-.33,;11.88,1.21,;10.53,1.98,;9.2,1.19,;10.53,3.52,;11.85,4.29,;9.19,4.27,;-1.46,-3.43,;-2.79,-2.66,;-4.13,-3.44,;-5.46,-2.67,;-5.46,-1.12,;-4.13,-.35,;-2.79,-1.12,)|
BDBM50173162 [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
BDBM50173163 Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1 |w:8.8|
BDBM50173164 [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
BDBM50173165 COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9|
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
BDBM50190049 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12 |t:8|
BDBM50190059 COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12 |t:23|
BDBM50190062 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2C)c2ccccc12 |t:8|
BDBM50190186 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12 |t:8|
BDBM50190193 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc3ccccc23)c2ccccc12 |t:8|
BDBM50190203 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2Cl)c2ccccc12 |t:8|
BDBM50190208 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(C)cccc2N)c2ccccc12 |t:8|
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|
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
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|
BDBM50226008 CCCN1CCO[C@@H](C1)c1cccc(O)c1
BDBM50228363 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
BDBM50238834 Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
BDBM50238839 CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50240671 Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|
BDBM50232152 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
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|
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
BDBM50258590 CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258591 CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258592 CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258593 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1
BDBM50258594 Fc1ccc(-c2cncnc2)c(c1)C1Cc2nccn2C1
BDBM50259381 C1C(Cn2ccnc12)c1ccccc1
BDBM50259382 C1Cc2nccn2CC1c1ccccc1
BDBM50259332 C1C(Cc2ccccc12)c1ncc[nH]1
BDBM50259333 C1Cc2nc[nH]c2CC1c1ccccc1
BDBM50258517 N#Cc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258518 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1 |r|
BDBM50258638 Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1
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|
BDBM50244809 C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
BDBM50261126 COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50258559 C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1 |r|
BDBM50258560 C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50258561 C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50256563 COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|
BDBM50258562 C1[C@H](Cn2ccnc12)c1ccccc1-c1nccs1 |r|
BDBM50258563 C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1 |r|
BDBM50258564 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1 |r|
BDBM50258565 Cn1cc(cn1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258589 C1[C@H](Cn2ccnc12)c1ccccc1-n1cccn1 |r|
BDBM50258639 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1ncco1
BDBM50258640 Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
BDBM50258641 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1
BDBM50258644 Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1
BDBM50262235 C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
BDBM50253285 CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
BDBM50254790 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
BDBM50253754 CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50267507 COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
BDBM50267508 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50267510 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50270556 [#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
BDBM50266555 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5|
BDBM50266578 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5|
BDBM50266639 CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5|
BDBM50271255 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
BDBM50271294 Clc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50302568 CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
BDBM50302547 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
BDBM50302553 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
BDBM50302554 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
BDBM50302555 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
BDBM50302556 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
BDBM50302557 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
BDBM50302558 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
BDBM50302564 CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
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|
BDBM50299208 Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
BDBM50308182 N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
BDBM50319673 Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
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
BDBM50321778 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
BDBM50321779 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50324887 COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324888 COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324889 COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324890 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324891 COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324892 COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50324893 COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50324894 COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
BDBM50325822 Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
BDBM50312766 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
BDBM50312767 COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312768 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM50312769 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50312770 O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
BDBM50312771 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312772 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312773 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
BDBM50312774 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM50312775 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
BDBM50312776 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50312777 COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312778 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
BDBM50312779 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
BDBM50312780 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
BDBM50330511 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50330512 O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330516 Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330522 CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330524 CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
BDBM50330526 O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
BDBM50330533 CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
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
BDBM50334194 C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)|
BDBM50334195 Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)|
BDBM50334196 Cc1cccc2n[nH]c(N=C3NCCN3)c12 |(-5.16,-15.24,;-5.12,-13.71,;-6.43,-12.91,;-6.38,-11.36,;-5.04,-10.63,;-3.72,-11.44,;-2.24,-11.01,;-1.37,-12.27,;-2.31,-13.49,;-1.5,-14.81,;.03,-14.78,;.91,-13.51,;2.39,-13.95,;2.42,-15.49,;.97,-16,;-3.76,-12.98,)|
BDBM50334197 Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|
BDBM50334201 Clc1cccc2cnn(\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)c12
BDBM50334720 NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
BDBM50334725 O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
BDBM50334731 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
BDBM50334732 Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334733 CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
BDBM50334734 O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
BDBM50334455 Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
BDBM50352160 OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
BDBM50353612 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
BDBM50353615 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
BDBM50353617 CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
BDBM50360000 C(C1=NCCN1)n1ncc2ccccc12 |t:1|
BDBM50360001 Cc1cccc2cnn(CC3=NCCN3)c12 |t:10|
BDBM50360002 Clc1cccc2cnn(CC3=NCCN3)c12 |t:10|
BDBM50382674 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:8|
BDBM50382677 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|
BDBM50382678 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|
BDBM50382679 Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1 |c:13|
BDBM50382683 OCCOCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Oc2ncccc12 |t:13|
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50383152 O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
BDBM50383153 CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
BDBM50383155 C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
BDBM50383156 C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
BDBM50383162 CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
BDBM50383163 C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |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|
BDBM50377396 C1CC(c2ncc[nH]2)c2ccccc2C1 |w:2.2|
BDBM50377397 Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1
BDBM50377398 Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O |t:5|
BDBM50377399 Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377400 C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1 |w:13.16|
BDBM50377401 C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1 |w:13.16|
BDBM50377402 C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1 |w:14.17|
BDBM50377403 C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1 |w:14.17|
BDBM50377404 Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377405 Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377386 Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377387 Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
BDBM50377388 C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1 |w:13.16|
BDBM50377389 C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
BDBM50377390 COc1c2CCC(c3ncc[nH]3)c2ccc1C |w:6.6|
BDBM50377391 COc1cccc2C(CCc12)c1ncc[nH]1 |w:7.12|
BDBM50377392 CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1 |w:9.14|
BDBM50377393 CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1 |w:10.16|
BDBM50377394 CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:11.16|
BDBM50377395 CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:10.15|
BDBM50369382 COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
BDBM50369383 COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|
BDBM50398052 Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
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|
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|
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|
BDBM50401403 CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
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|
BDBM50401673 COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
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|
BDBM50412259 COC1(COc2c(O1)cccc2-c1ccccc1)C1=NCCN1 |t:21|
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|
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
BDBM50020341 Cl.Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
BDBM50020342 Cl.CCOc1ccc(cc1)\N=C(\N)NCc1ccco1
BDBM50020343 Cl.CN(C)c1ccc(cc1)\N=C(\N)NCc1ccco1
BDBM50020344 Cl.N=C(NCc1ccco1)Nc1ccc2CCCCc2c1
BDBM50020345 Cl.CCNc1ccc(cc1)\N=C(\N)NCc1ccco1
BDBM50020346 Cl.N=C(NCc1ccco1)Nc1ccc2OCOc2c1
BDBM50020347 Cl.CCOc1ccc(NC(=N)NCCO)cc1
BDBM50020348 Cl.CN(C)c1ccc(NC(=N)NCCO)cc1
BDBM50020349 Cl.OCCNC(=N)Nc1ccc2CCCCc2c1
BDBM50020350 Cl.CCNc1ccc(NC(=N)NCCO)cc1
BDBM50020351 Cl.OCCNC(=N)Nc1ccc2OCOc2c1
BDBM50020352 Cl.CCOc1ccc(NC(=N)Nc2ccccc2)cc1
BDBM50020353 Cl.CN(C)c1ccc(NC(=N)Nc2ccccc2)cc1
BDBM50020354 Cl.CC1CN\C(N1)=N\c1ccc(cc1)N(C)C
BDBM50020355 Cl.CC1CN\C(N1)=N\c1ccc2CCCCc2c1
BDBM50020356 Cl.CCNc1ccc(cc1)\N=C1\NCC(C)N1
BDBM50020357 Cl.CC1CN\C(N1)=N\c1ccc2OCOc2c1
BDBM50020358 Cl.CCOc1ccc(cc1)\N=C1\NCC(N1)c1ccco1
BDBM50020359 Cl.CN(C)c1ccc(cc1)\N=C1\NCC(N1)c1ccco1
BDBM50020360 Cl.C1N\C(NC1c1ccco1)=N\c1ccc2CCCCc2c1
BDBM50020361 Cl.CCNc1ccc(cc1)\N=C1\NCC(N1)c1ccco1
BDBM50020362 Cl.C1Oc2ccc(cc2O1)\N=C1\NCC(N1)c1ccco1
BDBM50020363 Cl.[#6]-[#6]-[#8]-c1ccc(cc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50020364 Cl.N=C(Nc1ccccc1)Nc1ccc2CCCCc2c1
BDBM50020365 Cl.CCNc1ccc(NC(=N)Nc2ccccc2)cc1
BDBM50020366 Cl.N=C(Nc1ccccc1)Nc1ccc2OCOc2c1
BDBM50020367 Cl.CCCNC(=N)Nc1ccc(OCC)cc1
BDBM50020369 Cl.CCCNC(=N)Nc1ccc(cc1)N(C)C
BDBM50020370 Cl.CCCNC(=N)Nc1ccc2CCCCc2c1
BDBM50020371 Cl.CCCNC(=N)Nc1ccc(NCC)cc1
BDBM50020372 Cl.CCCNC(=N)Nc1ccc2OCOc2c1
BDBM50020373 Cl.CCOc1ccc(NC(N)=N)cc1
BDBM50020374 Cl.CCOc1ccc(cc1)\N=C1\NCC(C)N1
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|
BDBM50024301 [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|
BDBM50027852 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50070328 C1CC1C(NC1=NCCO1)C1CC1 |t:6|
BDBM50076240 Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
BDBM50026816 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 |r|
BDBM50076244 Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF |r|
BDBM255474 Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
BDBM50065660 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r|
BDBM50114872 COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
BDBM50140053 Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50108094 Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
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
BDBM50148852 Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
BDBM50179392 CN1CCCCC1CCn1cnc2ccccc12
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|
BDBM50179386 CC(C)CCNc1cc(C)n(CCC(C)C)c(=O)c1
BDBM50179390 CC(C)CCNc1cc(C)n(Cc2ccccc2)c(=O)c1
BDBM50179391 CN1CCCCC1CCn1c2ccccc2c2ccccc12
BDBM50179393 CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
BDBM50179382 CC(C)Cn1c(C)cc(NCc2ccc(cc2)C(F)(F)F)cc1=O
BDBM50179383 CCCCCNc1cc(C)n(CCCCC)c(=O)c1
BDBM50179384 CCCCCn1c(C)cc(NCc2ccccc2)cc1=O
BDBM50179389 CCCCCNc1cc(C)n(Cc2ccccc2)c(=O)c1
BDBM50179385 CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
BDBM50179387 CC(C)CCn1c(C)cc(NCc2ccccc2)cc1=O
BDBM50179388 CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
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|