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295 SMILES Strings for Ras-related C3 botulinum toxin substrate 1

Compound NameSMILES String
BDBM7392 O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
BDBM13063 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM22360 CC(=O)Oc1ccccc1C(O)=O
BDBM25524 COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
BDBM25525 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
BDBM34905 CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
BDBM43207 CC(C)C(NCc1c(Cl)cccc1Cl)C(O)=O
BDBM43208 O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
BDBM43246 Cc1cc(C(=O)Oc2ccccc2C(O)=O)c(C)o1
BDBM43247 Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
BDBM43281 Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM43282 COc1ccc(Cl)cc1NCc1sc(cc1C)C(O)=O
BDBM43283 COc1ccccc1NCc1sc(cc1C)C(O)=O
BDBM43210 [O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
BDBM43213 CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)cc1
BDBM43214 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)Nc1ccccc1
BDBM43216 CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:10|
BDBM43218 COc1cccc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
BDBM43221 CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
BDBM43284 Cc1ccc(Nc2cc(C(O)=O)c3ccccc3n2)cc1C
BDBM43285 OC(=O)c1ccccc1NCc1c(Cl)cccc1Cl
BDBM43286 OC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
BDBM43223 Cc1cc(C)c(C)c(C(=O)c2ccccc2C(O)=O)c1C
BDBM43225 Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1
BDBM43227 OC(CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1
BDBM43229 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(=O)C1CCCCC1
BDBM43230 OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
BDBM43231 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccs1
BDBM43232 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
BDBM43252 OC(=O)c1ccccc1OCc1ccccc1Br
BDBM43287 CC(C)(C)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM43288 CC(=O)Nc1cccc(c1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM43289 COc1ccccc1OCCn1cc(C(O)=O)c2ccc(Cl)cc12
BDBM43254 [O-][N+](=O)c1cc2oc3CCCCc3c2[c-](\C=[NH+]\Cc2ccccc2)c1=O
BDBM43256 COCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)N1CCc2ccccc2C1
BDBM43259 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
BDBM43260 COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(=O)Nc1ccc2OC(F)(F)Oc2c1
BDBM43261 CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O
BDBM43262 CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C
BDBM43290 Cc1c(C(O)=O)c2ccccc2n1CCOc1ccccc1C
BDBM43264 CCOC(=O)c1c(CC)c(C)sc1NC(=O)\C=C\c1ccc2OCOc2c1
BDBM43265 COc1ccc(OC)c(c1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(6.68,5.12,;6.68,3.58,;8.01,2.81,;9.34,3.58,;10.68,2.81,;10.68,1.27,;12.01,.5,;13.35,1.27,;9.34,.5,;8.01,1.27,;9.34,-1.04,;10.68,-1.81,;12.06,-.99,;13.45,-1.78,;14.78,-1.01,;13.45,-3.39,;14.78,-4.16,;12.06,-4.18,;10.68,-3.35,;9.34,-4.12,;8.01,-3.35,;6.63,-4.18,;5.24,-3.39,;3.91,-4.16,;5.24,-1.78,;3.91,-1.01,;6.63,-.99,;8.01,-1.81,)|
BDBM43266 CCN(CC)c1ccc2cc(-c3nc(cs3)-c3ccc(OC)cc3)c(=O)oc2c1
BDBM43267 CSc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1 |w:7.7|
BDBM43268 O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM43222 Cc1ccc(c(Br)c1)-n1c(n[nH]c1=S)-c1cnccn1 |(5.79,-4.65,;5.79,-3.11,;7.12,-2.34,;7.12,-.8,;5.79,-.03,;4.46,-.8,;3.12,-.03,;4.46,-2.34,;5.79,1.51,;7.04,2.41,;6.56,3.88,;5.02,3.88,;4.54,2.41,;3.08,1.94,;8.5,1.94,;8.82,.43,;10.29,-.04,;11.43,.99,;11.11,2.49,;9.65,2.97,)|
BDBM43263 [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM43269 CNC(=S)NNC1=c2ccccc2=NC1=O |c:6,13|
BDBM43270 Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
BDBM43271 COc1ccc(cc1)C(=O)c1c(O)cc(oc1=O)-c1ccc(OC)cc1
BDBM43272 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
BDBM43233 Cc1nn(Cc2ccccc2)c(Cl)c1C(O)=O
BDBM43234 COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
BDBM43273 Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)N1CCOCC1
BDBM43274 CCCOc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
BDBM43235 OC(=O)c1ccccc1NCCc1ccc(Cl)cc1
BDBM43236 OC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
BDBM43237 COC(=O)c1cccnc1SCCc1ccccc1
BDBM43239 CC(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM43241 Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1
BDBM43275 COc1ccccc1OCc1cccc(c1)C(O)=O
BDBM43276 CC(C)c1ccc(C)cc1OCCSc1nc2ccccc2n1CC(O)=O
BDBM43277 OC(=O)c1cn(CCOc2ccccc2)c2ccccc12
BDBM43240 [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccc(F)cc1
BDBM43278 CC(C)c1ccc(C)cc1OCCn1cc(C(O)=O)c2ccccc12
BDBM43279 COc1cccc(CNCc2sc(cc2C)C(O)=O)c1
BDBM43280 Cc1cc(OCCSc2nc3ccccc3n2CC(O)=O)ccc1Cl
BDBM42384 OC(=O)c1cccnc1SCCc1ccccc1
BDBM42069 CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
BDBM41685 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:12|
BDBM46314 CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc21)c1ccc(F)cc1
BDBM46315 COc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)o1
BDBM46316 O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccco1
BDBM46317 Cc1sc2nc3ccc(NCc4ccco4)nn3c(=O)c2c1C
BDBM46318 COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|
BDBM46319 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
BDBM46320 COc1ccc(cc1OC)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1 |w:14.15|
BDBM46321 Cc1cc(C)cc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:8.8|
BDBM46322 COc1cc(CN=Nc2nnc3c(n2)[nH]c2ccccc32)ccc1O |w:7.7|
BDBM44154 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
BDBM46323 NC(=S)NNC1=c2cc(F)ccc2=NC1=O |c:5,13|
BDBM46324 [O-][N+](=O)c1cc([nH]n1)C(=O)NC1CCCCC1
BDBM48386 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
BDBM46325 CC(C)Oc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:9.9|
BDBM46326 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O |w:11.11|
BDBM46327 O=C1\C(Sc2ccccc12)=C/c1cccnc1
BDBM46328 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1
BDBM46329 Cn1c2cccc3c(C=O)ccc(n(C)c1=O)c23
BDBM46330 [O-][N+](=O)c1ccc2c(OCC(=O)NCCc3ccc(Cl)cc3)ncnc2c1
BDBM46331 Clc1ccc(CNC(=S)NNC(=O)c2ccc(Br)o2)cc1
BDBM46332 CCOC(=O)c1nc(Nc2ccc(cc2)C(C)=O)c2ccccc2n1
BDBM46333 Cc1cccc(c1)-n1nc(CC#N)c(C#N)c1N
BDBM46334 OC(=O)c1ccc(COc2ccccc2Cl)o1
BDBM46335 OC(=O)c1ccccc1NCc1ccccc1Cl
BDBM54693 COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O
BDBM54694 [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
BDBM54695 O=C(C#Cc1ccccc1)c1ccccc1
BDBM54696 [O-][N+](=O)c1ccc(cc1)C#Cc1ccccc1
BDBM54697 Clc1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM54698 O=C(C#Cc1ccccc1)c1cccnc1
BDBM54699 O=C(C#Cc1ccccc1)c1ccc(cc1)C#N
BDBM54700 FC(F)(F)Oc1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM54701 Fc1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM54702 COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM54703 COc1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM54704 COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O
BDBM54705 CC(C(O)=O)c1cccc(Oc2ccccc2)c1
BDBM54706 COc1ccc2cc(CC(O)=O)ccc2c1
BDBM54707 CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C\c1ccc(cc1)S(C)=O |c:1|
BDBM54708 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1
BDBM54709 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Br)cc2)n1
BDBM54710 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Br)c2)n1
BDBM54711 COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1
BDBM54712 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)o1
BDBM54713 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1
BDBM54675 O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
BDBM54676 O=C1NC(=S)N\C1=C1/C(=O)Nc2ccccc12
BDBM54677 O=C1Nc2ccccc2\C1=C1\Cc2ccccc2C1=O
BDBM54678 Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
BDBM54679 Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12
BDBM54680 Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
BDBM54681 ONc1c([nH]c2ccccc12)C1=c2ccccc2=NC1=O |c:13,20|
BDBM54682 ONc1c([nH]c2ccccc12)C1=c2cc(Br)ccc2=NC1=O |c:13,21|
BDBM54683 ONc1c([nH]c2ccccc12)C1=c2cccc(F)c2=NC1=O |c:13,21|
BDBM54684 ONc1c([nH]c2ccccc12)C1=c2cccc(Cl)c2=NC1=O |c:13,21|
BDBM54685 ONc1c([nH]c2ccccc12)C1=c2cccc(Br)c2=NC1=O |c:13,21|
BDBM54686 COc1ccc(cc1Br)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(C)(=O)=O
BDBM54687 CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1
BDBM54688 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccc(Br)cc1)-c1ccccc1
BDBM54689 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cncc(Br)c1
BDBM54690 Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1
BDBM54691 COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
BDBM54692 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(Br)c(OC)c(OC)c1
BDBM54542 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54543 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(OC)c2)n1
BDBM54544 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1
BDBM54545 COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54546 COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54547 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
BDBM54548 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
BDBM54549 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
BDBM54550 COc1ccccc1-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54551 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
BDBM54552 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(cc1)C(F)(F)F
BDBM54553 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
BDBM54554 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Cl
BDBM54555 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
BDBM54556 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Br)c1
BDBM54557 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
BDBM54558 COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54559 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Br)n1
BDBM54560 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(F)c2)n1
BDBM54561 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C(F)(F)F)n1
BDBM54562 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
BDBM54563 Cc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54564 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Cl)c1
BDBM54565 Cc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54566 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)n1
BDBM54567 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(c1)C(F)(F)F
BDBM54568 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C(F)(F)F
BDBM54569 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C)n1
BDBM54570 COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
BDBM54571 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1
BDBM54572 COc1ccc(cc1)-c1noc(CCCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54573 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2OC)n1
BDBM54574 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1F
BDBM54575 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
BDBM54576 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2C)n1
BDBM54577 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1
BDBM54578 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
BDBM54579 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2)n1
BDBM54580 CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54581 COc1ccc(cc1)-c1cccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)c1
BDBM54582 COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
BDBM54583 COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)on1
BDBM54584 COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1
BDBM54585 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)s1
BDBM54586 COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13|
BDBM54587 [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|
BDBM54588 Fc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1cccc(Br)c1 |t:8|
BDBM54589 Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
BDBM54590 COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1 |c:11|
BDBM54591 COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
BDBM54592 COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 |c:11|
BDBM54593 Fc1ccccc1C1CC(=NN1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:10|
BDBM54594 COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11|
BDBM54595 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1 |t:9|
BDBM54596 [O-]S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
BDBM54597 Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
BDBM54598 Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
BDBM54599 Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
BDBM54600 Oc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
BDBM54601 CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:11|
BDBM54602 OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:11|
BDBM54603 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1 |t:9|
BDBM54604 FC(F)(F)c1ccccc1C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:13|
BDBM54605 FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14|
BDBM54606 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12|
BDBM54607 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|
BDBM54608 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:12|
BDBM54609 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:12|
BDBM54610 COc1ccc(cc1)C1=NN(C(C1)c1ccc(OC)c(OC)c1C(O)=O)c1ccccc1 |t:9|
BDBM54611 CCc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
BDBM54612 FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:14|
BDBM54613 COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:12|
BDBM54614 CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:13|
BDBM54615 Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:8|
BDBM54616 COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
BDBM54617 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1 |c:12|
BDBM54618 [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|
BDBM54619 COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13|
BDBM54620 FC(F)(F)c1cccc(c1)N1N=C(CC1c1ccccc1Cl)c1ccc(Cl)cc1 |c:12|
BDBM54621 COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1F |t:9|
BDBM54622 COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1 |c:13|
BDBM54623 COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11|
BDBM54624 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9|
BDBM54625 COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:13|
BDBM54626 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(F)c1 |t:9|
BDBM54627 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:12|
BDBM54628 [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1 |c:13|
BDBM54629 COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:11|
BDBM54630 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1 |c:11|
BDBM54631 COc1ccc(cc1OC)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:13|
BDBM54632 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
BDBM54633 COc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
BDBM54634 COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM54635 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(F)c1 |c:11|
BDBM54636 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1F |c:11|
BDBM54637 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:11|
BDBM54638 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11|
BDBM54639 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Br)c1 |c:11|
BDBM54640 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11|
BDBM54641 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
BDBM54642 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11|
BDBM54643 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11|
BDBM54644 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(OC)c1 |c:11|
BDBM54645 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)cc1 |c:11|
BDBM54646 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N(C)C |c:11|
BDBM54647 Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
BDBM54648 Cc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
BDBM54649 COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
BDBM54650 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1OC |c:11|
BDBM54651 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
BDBM54652 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Br)c1)c1ccccc1 |c:12|
BDBM54653 Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
BDBM54654 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
BDBM54655 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(C)c1 |c:11|
BDBM54656 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:11|
BDBM54657 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(F)(F)F |c:11|
BDBM54658 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)C(F)(F)F |c:11|
BDBM54659 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11|
BDBM54660 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccsc1 |c:11|
BDBM54661 COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12|
BDBM54662 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:12|
BDBM54663 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:12|
BDBM54664 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:12|
BDBM54665 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:12|
BDBM54666 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C(C)(C)C |c:11|
BDBM54667 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C(F)(F)F |c:11|
BDBM54668 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C1CCCCC1 |c:11|
BDBM54669 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)N(C)C |c:11|
BDBM54670 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccnc1 |c:11|
BDBM54671 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccncc1 |c:11|
BDBM54672 COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
BDBM54673 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Br)c1ccccc1 |c:12|
BDBM54674 COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1 |c:11|
BDBM11639 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM50022271 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
BDBM50007190 CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12
BDBM50007189 CC(CCCN(C)C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1
BDBM50110164 CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
BDBM50169047 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
BDBM50218889 Clc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
BDBM50218890 Brc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
BDBM50218896 Fc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
BDBM50293839 [O-][N+](=O)c1cc(NCC(=O)Nc2ccc(cc2)N2CCOCC2)ccc1F
BDBM50293840 COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
BDBM50293841 Cc1noc(C)c1COc1cccc(c1)C(=O)Nc1ccc(C)c(c1)S(C)(=O)=O
BDBM50293842 CC(OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM50293843 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(CC1)c1ccccc1OC
BDBM50300545 Oc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1O
BDBM50300546 COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1
BDBM50300547 Oc1cc2CCn3cc4c(ccc(O)c4=[OH+])cc3-c2cc1O
BDBM50300548 Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12
BDBM50300549 COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC
BDBM50300550 COc1cc2cc(nc(C)c2cc1OC)-c1ccc(O)c(O)c1
BDBM50300551 Cn1cc2c(ccc(O)c2=[OH+])c2ccc3cc(O)c(O)cc3c12
BDBM50300552 COc1ccc2c(cn(C)c3c4cc(O)c(=[OH+])cc4ccc23)c1OC
BDBM50300554 Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O |r|
BDBM50468262 Cc1cc(C)cc(NC(=N)Nc2ccccc2C(F)(F)F)c1
BDBM50391239 Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc23)c1
BDBM50391235 Cl.Cl.FC(F)(F)c1ccc2c(SCCCCCOc3coc(CN4CCOCC4)cc3=O)ccnc2c1
BDBM50391240 OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 |r|
BDBM50391237 CCn1c2ccccc2c2cc(ccc12)-n1nncc1-c1ccccc1
BDBM50391238 CC(=O)c1cccc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1