BindingDB logo
myBDB logout

389 SMILES Strings for Alpha-synuclein

Compound NameSMILES String
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM8885 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
BDBM17289 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
BDBM17292 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
BDBM17747 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM24776 O=C1C=CC(=O)c2ccccc12 |c:2|
BDBM24778 CC1=CC(=O)c2ccccc2C1=O |t:1|
BDBM31883 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM91713 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|
BDBM108083 [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50009001 Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
BDBM50012855 N1c2ccccc2Sc2ccccc12
BDBM50017543 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
BDBM50060874 Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
BDBM50065315 CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50088360 Oc1cc2cccc(O)c(=O)c2c(O)c1O
BDBM50085536 OC(=O)c1cc(O)c(O)c(O)c1
BDBM50092056 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:12|
BDBM50100134 CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
BDBM50133496 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
BDBM50135165 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
BDBM50135169 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
BDBM207958 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(cc23)C#N)c1
BDBM207959 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(cc23)N2CCOCC2)c1
BDBM207960 Fc1cccc(Cc2cccc(n2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207945 Fc1ccc(F)c(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207946 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1F
BDBM207947 CN(c1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(F)c1
BDBM207948 Fc1cccc(Oc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207949 Fc1cccc(Nc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207950 Fc1cccc(Cc2ccc(nc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207951 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(cc23)C(F)(F)F)c1
BDBM207954 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(cc23)-c2ccccc2)c1
BDBM50153015 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
BDBM50157562 Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
BDBM50163748 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
BDBM50185987 [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
BDBM50187665 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
BDBM50214744 COc1cc(\C=C\C(O)=O)ccc1O
BDBM50236531 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
BDBM50326997 Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1cc(O)c(O)c(O)c1
BDBM50332797 CN1CCN(CC1)NCCN1c2ccccc2Sc2ccccc12
BDBM50332798 CN(C)CCC(=O)NN1c2ccccc2Sc2cc(Cl)ccc12
BDBM207891 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM50370232 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|
BDBM50389301 COc1ccc2N(C(C)=O)c3ccc(cc3Sc2c1)[N+]([O-])=O
BDBM50389303 CC(=O)N1c2ccc(O)cc2Sc2cc(ccc12)[N+]([O-])=O
BDBM50389304 [O-][N+](=O)c1ccc2Nc3ccc(OCCF)cc3Sc2c1
BDBM50389305 [O-][N+](=O)c1ccc2Nc3ccc(OC\C=C\I)cc3Sc2c1
BDBM50389306 [O-][N+](=O)c1ccc2Nc3ccc(OCC#C)cc3Sc2c1
BDBM50389302 CC(=O)N1c2ccccc2Sc2cc(ccc12)[N+]([O-])=O
BDBM50389291 [O-][N+](=O)c1ccc2Nc3ccccc3Sc2c1
BDBM50389292 COc1ccc2Nc3ccc(OC)cc3Sc2c1
BDBM50389293 COc1ccc2Nc3ccc(cc3Sc2c1)C#N
BDBM50389294 COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O
BDBM50389295 [O-][N+](=O)c1ccc2Nc3ccc(Br)cc3Sc2c1
BDBM50389296 [O-][N+](=O)c1ccc2Nc3ccc(I)cc3Sc2c1
BDBM50389297 COc1ccc2N(C)c3ccc(cc3Sc2c1)[N+]([O-])=O
BDBM50389298 COc1ccc2N(C)c3ccc(N)cc3Sc2c1
BDBM50389299 CNc1ccc2N(C)c3ccc(OC)cc3Sc2c1
BDBM50389300 COc1ccc2N(C)c3ccc(cc3Sc2c1)N(C)C
BDBM50410506 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
BDBM50423776 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-c2ccccc2-[#6]-1=O |w:18.18,c:20|
BDBM170543 Oc1ccc(cc1O)-c1cc(Br)c(s1)-c1ccc(O)c(O)c1
BDBM170544 CCCC[Sn](CCCC)(CCCC)c1cnc(s1)-c1ccc(OC(C)=O)c(OC(C)=O)c1
BDBM170545 Oc1ccc(cc1O)-c1ncc(s1)-c1cc(O)c(O)cc1Br
BDBM170547 Oc1ccc(cc1O)-c1ccc(s1)-c1cc(O)c(O)c(O)c1
BDBM170548 Oc1ccc(cc1O)C(=O)Nc1cc(O)c(O)cc1Br
BDBM170549 Oc1ccc(NC(=O)c2cc(O)c(O)cc2Br)cc1O
BDBM170550 Oc1ccc(cc1O)-c1nc2cc(O)c(O)cc2o1
BDBM170551 Oc1ccc(cc1O)-c1nnc(o1)-c1cc(O)c(O)cc1O
BDBM170553 Oc1ccc(cc1O)-c1ccc(s1)-c1ccc(O)c(O)c1
BDBM170554 Oc1ccc(cc1O)-c1cc(c(s1)-c1ccc(O)c(O)c1)-c1ccc(O)c(O)c1
BDBM170555 Oc1ccc(cc1O)-c1ccc(Br)s1
BDBM170556 Oc1ccc(cc1O)-c1nnc(s1)-c1cc(O)c(O)cc1Br
BDBM170557 Oc1ccc(cc1O)-c1nnc(o1)-c1ccc(O)c(O)c1
BDBM170558 Oc1ccc(cc1O)-c1cn(nn1)-c1ccc(O)c(O)c1
BDBM170559 Oc1ccc(cc1O)-c1ncc(Br)s1
BDBM170560 Oc1ccc(cc1O)-c1cnc(o1)-c1ccc(O)c(O)c1
BDBM170561 Oc1ccc(cc1O)-c1nnc(s1)-c1ccc(O)c(O)c1
BDBM170562 COc1cc(ccc1O)-c1nnc(s1)-c1cc(O)c(O)cc1I
BDBM170563 Oc1ccc(cc1O)-c1ccc(s1)-c1cc(O)c(O)c(I)c1
BDBM170564 Oc1ccc(cc1O)-c1cnc(s1)-c1cc(O)c(O)cc1Br
BDBM170565 CC(=O)Oc1ccc(cc1OC(C)=O)-c1nnc(s1)-c1cc(OC(C)=O)c(OC(C)=O)cc1I
BDBM170566 Oc1ccc(cc1O)-c1cnc(o1)-c1cc(O)c(O)cc1Br
BDBM170567 Oc1ccc(Cc2cc(O)c(O)cc2Br)cc1O
BDBM170568 Oc1cc(Cc2cc(O)c(O)cc2N([O-])=O)c(cc1O)N([O-])=O
BDBM170569 Oc1ccc(Cc2cc(O)c(O)cc2C#N)cc1O
BDBM170570 Oc1ccc(Cc2cc(O)c(O)cc2N([O-])=O)cc1O
BDBM170571 Oc1ccc(cc1O)C(=O)\C=C\c1cc(O)c(O)cc1Br
BDBM170572 Oc1ccc(\C=C\C(=O)c2cc(O)c(O)cc2Br)cc1O
BDBM32020 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
BDBM170546 Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1
BDBM207861 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(CNCC4CCCCC4)cc3)c2c1
BDBM207862 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(CNCc4ccccc4)cc3)c2c1
BDBM207865 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(CNCc4cccs4)c3)c2c1
BDBM207866 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(CNCc4ccccc4)c3)c2c1
BDBM207867 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(CNC4CCCCC4)c3)c2c1
BDBM207869 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(CNCc4cccs4)cc3)c2c1
BDBM207871 Cc1ccccc1Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207872 COc1ccccc1Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207873 COc1ccccc1Cc1cccc(c1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207874 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccc(cc4)C#N)cc3)c2c1
BDBM207875 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4cccc(c4)C#N)cc3)c2c1
BDBM207876 Cc1ccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207877 Cc1ccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207878 Cc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207879 Cc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207880 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccc(cc4)C#N)c3)c2c1
BDBM207881 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4cccc(c4)C#N)c3)c2c1
BDBM207882 FC(F)(F)c1ccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207883 FC(F)(F)c1ccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207884 FC(F)(F)c1ccccc1Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207885 FC(F)(F)c1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207887 FC(F)(F)c1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207888 Clc1ccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207889 Clc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207890 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccccc4Cl)cc3)c2c1
BDBM50103937 COc1cccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM207892 Fc1ccccc1Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207893 Clc1ccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207895 Fc1ccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207896 Fc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207897 Fc1ccccc1Cc1cccc(c1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207898 Clc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207899 COc1ccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207900 COc1ccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207901 COc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207902 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccccc4C#N)cc3)c2c1
BDBM207903 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccccc4C#N)c3)c2c1
BDBM207904 Fc1ccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
BDBM207905 Cc1cccc(C)c1Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207907 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Nc4cccc(c4)C#N)c3)c2c1
BDBM207908 Fc1cc(F)cc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207909 COc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1F
BDBM207910 Fc1cc(F)cc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207911 COc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1F
BDBM207912 Fc1cncc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207914 Fc1cccc(Cc2ccc(cc2)C(=O)NCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207915 Clc1ccc2[nH]cc(CNC(=O)c3ccc(Cc4cccc(c4)C#N)cc3)c2c1
BDBM207916 Fc1cc(F)cc(Cc2ccc(cc2)C(=O)NCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207918 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4cccs4)c3)c2c1
BDBM207919 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccsc4)c3)c2c1
BDBM207920 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccco4)c3)c2c1
BDBM207922 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4cccs4)cc3)c2c1
BDBM207923 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccsc4)cc3)c2c1
BDBM207924 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccoc4)cc3)c2c1
BDBM207925 Fc1cccc(Cc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(F)cc23)c1
BDBM207926 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccoc4)c3)c2c1
BDBM207928 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4cccnc4)cc3)c2c1
BDBM207929 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccncc4)cc3)c2c1
BDBM207930 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccco4)cc3)c2c1
BDBM207932 COc1cccc(Oc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207933 Cc1cccc(Oc2cccc(c2)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207934 Cn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc12
BDBM207935 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Nc4ccccc4)cc3)c2c1
BDBM207936 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Oc4ccccc4)cc3)c2c1
BDBM207937 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Nc4ccccc4)c3)c2c1
BDBM207938 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Oc4ccccc4)c3)c2c1
BDBM207939 CN(c1ccccc1)c1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207940 CN(c1ccccc1)c1cccc(c1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
BDBM207941 Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1ccc(Cc2cccc(F)c2)cc1
BDBM207942 Fc1cccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(F)c2)c1
BDBM207943 Fc1cccc(Cc2ccc(cc2F)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
BDBM207944 Fc1cccc(Cc2ccc(cc2)C(=O)NCCc2c[nH]c3ncc(Cl)cc23)c1
BDBM207849 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cn4cccn4)c3)c2c1
BDBM207852 Clc1ccc2[nH]cc(CCNC(=O)c3ccccc3Cc3ccccc3)c2c1
BDBM207853 Clc1ccc2[nH]cc(CCNC(=O)c3cccc(Cc4ccccc4)c3)c2c1
BDBM207854 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4cccn4)cc3)c2c1
BDBM207855 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4ccnc4)cc3)c2c1
BDBM207858 Clc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4ccccc4)cc3)c2c1
BDBM50103928 COc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103930 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM50103932 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103961 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103963 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103964 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103968 CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50103969 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103970 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103971 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50103972 CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50103976 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50103979 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50103980 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50104058 CN(C)c1ccc(\C=C\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50104060 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103981 O=C1N(Cc2ccccc2)c2ccccc2\C1=C\C=C\c1ccccc1
BDBM50104107 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50104105 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50104106 CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50104108 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104109 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50104110 [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104111 [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104144 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1
BDBM50104115 [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104116 Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103965 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103966 CN(C)c1ccc(\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50104145 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50104034 COc1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104103 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50140172 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
BDBM50103601 [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
BDBM50104143 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM50103927 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103929 O=C1Nc2ccccc2\C1=C\C=C\c1ccccc1
BDBM50103931 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50103933 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103934 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103935 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103936 COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM50104059 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
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|
BDBM50237605 [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |r,t:5,16|
BDBM50277548 [Na;v0+].[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ccc(cc2)-[#6](=[#6]-2\[#6]=[#6]/[#6](/[#6]=[#6]-2-[#6])=[#7+](/[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)\c2ccc(cc2-[#6])-[#7](-[#6]-[#6])-[#6]-c2cccc(c2)S([#8-])(=O)=O)cc1 |c:17,20|
BDBM50462423 [Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1
BDBM50492518 CNc1ccc(\C=C\c2ccc(OCCOCCOCCF)nc2)cc1
BDBM50510752 Cc1ccc2oc(\C=C\C=C\c3ccncc3)nc2c1
BDBM50508767 CN1CCN(CC1)c1ncc(s1)C(=O)NC(Cc1c[nH]c2ccccc12)C1CCOCC1
BDBM50510750 [O-][N+](=O)c1ccc2[nH]c(\C=C\C=C\c3ccccn3)nc2c1
BDBM50510751 Clc1ccc2nc(\C=C\C=C\c3ccncc3)oc2c1
BDBM50510754 C=CCOC(=O)c1ccc(\C=C\c2ccc(\C=C\c3ccncc3)cc2)cc1
BDBM50510755 Clc1ccc(NC(=O)c2ccc(cc2)C(=O)\C=C\C=C\c2ccncc2)cc1
BDBM50510753 C(\C=C\c1ccncc1)=C/c1nc2ccccc2o1
BDBM50508765 COCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM50508766 COCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM50508768 CCOCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM50544147 Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
BDBM50544148 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1
BDBM50544149 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1
BDBM50544150 Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
BDBM50544151 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
BDBM50544152 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NS(=O)(=O)c2cccnc2)cc1
BDBM50545086 COc1ccccc1N(Cc1ccccc1[N+]([O-])=O)C(=O)\C=C\c1ccccc1
BDBM50545087 [O-][N+](=O)c1ccccc1CN(Cc1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N
BDBM50545088 [O-][N+](=O)c1ccccc1CN(Cc1ccco1)C(=O)\C=C\c1ccc(cc1)C#N
BDBM50545089 [O-][N+](=O)c1ccccc1CN(C(=O)\C=C\c1ccc(cc1)C#N)c1ccccc1
BDBM50545090 [O-][N+](=O)c1ccccc1CN(CCc1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N
BDBM50545091 COc1ccc(CN(Cc2ccccc2)C(=O)\C=C\c2ccc(cc2)C#N)cc1
BDBM50545092 O=C(\C=C\c1ccc(cc1)C#N)N(Cc1ccccc1)Cc1ccccc1
BDBM50545093 CC(C)(C)NC(=O)c1ccc(\C=C\C(=O)N(Cc2ccccc2)Cc2ccccc2[N+]([O-])=O)cc1
BDBM50545094 Clc1cccc(CN(Cc2ccccc2)C(=O)\C=C\c2ccc(cc2)C(=O)N2CCOCC2)c1
BDBM50545095 [O-][N+](=O)c1ccc(F)cc1CN(Cc1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N
BDBM50545096 [O-][N+](=O)c1ccc(F)cc1CN(Cc1ccco1)C(=O)\C=C\c1ccc(F)cc1
BDBM50545097 [O-][N+](=O)c1ccc(F)cc1CN(Cc1ccccc1)C(=O)\C=C\c1ccc(F)cc1
BDBM50545098 [O-][N+](=O)c1ccccc1CN(Cc1ccccc1)C(=O)\C=C\c1ccc(F)cc1
BDBM50545099 COc1ccccc1CN(Cc1cc(F)ccc1[N+]([O-])=O)C(=O)\C=C\c1ccc(F)cc1
BDBM481744 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cncnc1
BDBM481745 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ncccn1
BDBM481746 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccncc1
BDBM481747 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cccnc1
BDBM481149 CN(C)c1ccc(cc1)C#Cc1cc2cccnc2[nH]1
BDBM481150 CN(C)c1ccc(cc1)C#Cc1cc2ccncc2[nH]1
BDBM481151 CN(C)c1ccc(cc1)C#Cc1cc2ncccc2[nH]1
BDBM481152 CN(C)c1ccc(cc1)C#Cc1cc2ccc(Cl)nc2[nH]1
BDBM481153 CN(C)c1ccc(cc1)C#Cc1cc2ccc(F)nc2[nH]1
BDBM481154 CN(C)c1ccc(cc1)C#Cc1cc2cc(F)cnc2[nH]1
BDBM481749 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccccn1
BDBM481750 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccncn1
BDBM481751 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccnnc1
BDBM481752 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cccnn1
BDBM481753 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cnccn1
BDBM481754 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccccc1
BDBM481155 CN(C)c1ccc(cc1)C#Cc1cc2c(F)ccnc2[nH]1
BDBM481156 CN(C)c1ccc(cc1)C#Cc1cc2cnccc2[nH]1
BDBM481157 CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1cccs1
BDBM481158 CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1ccsc1
BDBM481159 CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1ccc(F)nc1
BDBM481160 CN(CCF)c1ccc(cc1)C#Cc1cc2cccnc2[nH]1
BDBM481755 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cn[nH]c1
BDBM481756 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccn[nH]1
BDBM481757 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1cnn(C)c1
BDBM481758 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)c1ccnn1C
BDBM491838 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC)CC1
BDBM491839 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)C(C)C
BDBM491840 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)C1CC1
BDBM491841 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC1)C(C)(C)C
BDBM491842 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC(C)C)CC1
BDBM491843 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CCOC)CC1
BDBM491844 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CCF)CC1
BDBM491845 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC(F)F)CC1
BDBM491846 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CC(F)(F)F)CC1
BDBM491847 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CCC(F)(F)F)CC1
BDBM491848 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)C(C)C1
BDBM491849 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)C(C)(C)C1
BDBM491862 CC(C)CC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM491850 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
BDBM491851 CC(C)CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM491852 CN1CCN(CC1)c1ncc(s1)C(=O)NC(Cc1c[nH]c2ccccc12)C1CCCC1
BDBM491853 CCCCN(CCc1c[nH]c2ccccc12)C(=O)c1cnc(s1)N1CCN(C)CC1
BDBM491854 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)C(CF)C1
BDBM491855 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CC2CCC(C1)N2C
BDBM491856 CN1CCN(CC1)c1ncc(s1)C(=O)NC(Cc1c[nH]c2ccccc12)c1ccccc1
BDBM491857 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(CCOC(F)(F)F)CC1
BDBM491858 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)C(C1)C(F)(F)F
BDBM491859 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1C[C@@H](C)N(C)[C@H](C)C1 |r|
BDBM491860 CC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM491861 CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM510811 CCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCNCC1
BDBM510812 CCCNC(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM510813 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1
BDBM510814 CN1CCN(CC1)c1ncc(s1)C(=O)NCCc1c[nH]c2ccccc12
BDBM510815 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCNCC1
BDBM510816 CN1CCN(CCc2ncc(s2)C(=O)NCCc2c[nH]c3ccccc23)CC1
BDBM510817 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(CCN2CCN(C)CC2)s1
BDBM510818 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(o1)N1CCN(C)CC1
BDBM510819 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nnc(o1)N1CCN(C)CC1
BDBM510820 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1nnc([nH]1)N1CCN(C)CC1
BDBM510821 CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc([nH]1)N1CCN(C)CC1
BDBM510822 CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1 |r|
BDBM510823 CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(s1)N1CCN(C)CC1 |r|
BDBM50553252 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50553253 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50553258 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50553251 Nc1cc2oc3cc(=O)c(cc3nc2cc1-c1ccc(O)cc1O)-c1ccc(O)cc1O
BDBM50553254 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,30|
BDBM50553255 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O |c:9|
BDBM50553256 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cccc(c2)[N+]([O-])=O)ccc1O
BDBM50553257 COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2cccc(F)c2)ccc1O
BDBM50553259 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O |r,c:20|
BDBM50553260 Brc1cccc(c1)-c1cc([nH]n1)-c1ccc2OCOc2c1
BDBM50553261 [H][C@]12C[C@]([H])(c3ccccc13)c1cc3c(cc21)[C@]1([H])C[C@@]3([H])c2c1c(c1c(c2P(O)(O)=O)[C@@]2([H])C[C@]1([H])c1cc3c(cc21)[C@@]1([H])C[C@]3([H])c2ccccc12)P(O)(O)=O |r|
BDBM50582835 [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
BDBM50582836 COc1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
BDBM50582830 Fc1ccc(\C=C\c2ccc(NC(=O)c3ccccc3)cc2)cc1
BDBM50582837 Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
BDBM50582838 Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
BDBM50582839 CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
BDBM50582842 [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
BDBM50582843 [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
BDBM50582844 [O-][N+](=O)c1cccc(\C=C\c2ccccc2NC(=O)c2ccccc2)c1
BDBM50582845 [O-][N+](=O)c1cccc(\C=C\c2ccccc2NC(=O)c2ccccn2)c1
BDBM50582846 COc1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
BDBM50582847 COc1ccc(\C=C\c2ccccc2NC(=O)c2cccnc2)cc1
BDBM50582848 COc1ccc(\C=C\c2ccccc2NC(=O)c2ccncc2)cc1
BDBM50582831 COc1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
BDBM50582832 Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
BDBM50582840 CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
BDBM50582841 [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
BDBM50582833 Fc1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
BDBM50582849 COc1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
BDBM50582850 COc1ccc(\C=C\c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50582851 COc1ccc(\C=C\c2ccccc2NC(=O)Cc2ccccc2)cc1
BDBM50582852 COc1ccc(\C=C\c2ccccc2NC(=O)c2cccs2)cc1
BDBM50582853 COc1ccc(\C=C\c2ccccc2NC(=O)c2nccs2)cc1
BDBM50582854 COc1ccc(\C=C\c2ccccc2NC(=O)NCc2cnccn2)cc1
BDBM50582855 COc1ccc(\C=C\c2ccccc2NC(=O)NCc2ccccc2)cc1
BDBM50582856 COc1ccc(\C=C\c2ccccc2NC(=O)Nc2ccccc2)cc1
BDBM50582834 CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
BDBM50582826 COc1ccc(\C=C\c2ccccc2NS(=O)(=O)c2ccccc2)cc1
BDBM50582827 COc1ccc(\C=C\c2cccc(NC(=O)c3ccccc3)c2)cc1
BDBM50582828 Fc1ccc(\C=C\c2cccc(NC(=O)c3ccccc3)c2)cc1
BDBM50582829 COc1ccc(\C=C\c2ccc(NC(=O)c3ccccc3)cc2)cc1
BDBM50594221 Oc1cc(\C=C\C(=O)Nc2ccc3oc4ccc(NC(=O)\C=C\c5cc(O)c(O)c(O)c5)cc4c(=O)c3c2)cc(O)c1O
BDBM50594222 Oc1ccc(O)c(\C=C\C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1
BDBM50594219 Oc1cc(cc(O)c1O)C(=O)Nc1ccc2oc3ccc(NC(=O)c4cc(O)c(O)c(O)c4)cc3c(=O)c2c1
BDBM50594220 Oc1ccc(cc1O)C(=O)Nc1ccc2oc3ccc(NC(=O)c4ccc(O)c(O)c4)cc3c(=O)c2c1
BDBM50599464 Oc1ccc2nc(NC(=O)Nc3ccc(NC(=O)C4CCNCC4)cc3)sc2c1
BDBM50599472 Oc1cccc(c1)C(=O)Nc1ccc(NC(=O)Nc2nc3ccc(O)cc3s2)cc1
BDBM50609392 OCc1ccc(cc1)-c1ccc(\C=C2/Cc3ccccc3C2=O)s1
BDBM50610486 CCNc1nc(NCc2ccc3OCOc3c2)nc(n1)N1CCN(CC1Cc1ccccc1)c1nc(N)nc(Nc2ccc(Oc3ccccc3)cc2)n1
BDBM50614035 OS(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1
BDBM50614036 Cc1ccc(Nc2ccc3cc(ccc3c2)S(O)(=O)=O)cc1
BDBM50614039 [I-].CCN(CC)c1ccc2N(CC)\C(Sc2c1)=C\c1sc2ccccc2[n+]1C
BDBM50614056 CN(C)c1ccc(cc1)-c1oc2cc(ccc2c(=O)c1O)N(C)CCN1C(=O)C=CC1=O |c:31|
BDBM50614057 COc1ccc(\C=C\C=C2/Oc3ccc(cc3C2=O)-c2ccc(OC)nc2)cc1
BDBM50614058 [Cl-].[#6]-[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6]\c2n(-[#6]-[#6])c3cc(Cl)c(Cl)cc3[n+]2-[#6]-[#6])-[#7](-[#6]-[#6])-c2cc(Cl)c(Cl)cc-12
BDBM50614059 [Br-].[Br-].C(c1ccc(cc1)C(=C(/c1ccccc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
BDBM50614060 [#8]-[#6]-[#6]-[#8]\[#6](\[#6]=[#6]\c1n(-c2ccccc2)c2cc3ccccc3cc2[n+]1-c1ccccc1)=[#6]/[#6]=[#6]-1\[#7](-c2cc3ccccc3cc2-[#7]-1-c1ccccc1)-c1ccccc1
BDBM50614037 OS(=O)(=O)c1cccc2c(ccc(Nc3ccccc3)c12)-c1ccc(Nc2ccccc2)c2c(cccc12)S(O)(=O)=O
BDBM50614038 Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(C)cc4)c4c(cccc34)S(O)(=O)=O)c3cccc(c23)S(O)(=O)=O)cc1
BDBM50614047 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N1CCCCCCC1
BDBM50614048 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N1CCCCCC1
BDBM50614046 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N(C)C
BDBM50614040 [I-].CCN1C=C(S\C1=C/C(/CC)=C/c1sc2ccc(C)cc2[n+]1CC)\C=C/C\C=C\c1ccccc1 |c:3|
BDBM50614049 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N1CCCC1
BDBM50614050 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N1CCCCC1
BDBM50614041 [I-].C[n+]1c(\C=C\c2ccc(cc2)N2CCCCC2)sc2ccccc12
BDBM50614042 COc1ccc2nc(sc2c1)-c1ccc(cc1)B1OC(C)(C)C(C)(C)O1
BDBM50614043 COc1ccc2nc(sc2c1)-c1ccc(cc1)B1OCC(C)(C)CO1
BDBM50614044 [#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)sc2c1
BDBM50614045 COc1ccc2[n+](C)c(sc2c1)-c1ccc(cc1)N1CCOCC1