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2105 SMILES Strings for Caspase-3

Compound NameSMILES String
BDBM219 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
BDBM220 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r|
BDBM221 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r|
BDBM222 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
BDBM223 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
BDBM224 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM225 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
BDBM226 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM227 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl |r|
BDBM228 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C=O |r|
BDBM229 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C(=O)CSCc1ccccc1Cl |r|
BDBM230 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
BDBM231 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O |r|
BDBM232 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C(=O)CSCc1ccccc1Cl |r|
BDBM233 OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C=O |r|
BDBM247 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
BDBM248 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r|
BDBM249 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM250 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM251 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM252 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM253 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)S(=O)(=O)c1ccc(O)c(c1)C(O)=O |r|
BDBM254 OC(=O)C[C@H](NC(=O)c1ccc(s1)S(=O)(=O)NCc1ccc(O)c(c1)C(O)=O)C(=O)CSCc1ccccc1Cl |r|
BDBM255 OC(=O)C[C@H](NC(=O)c1ccc(CNCc2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
BDBM256 CC(=O)N(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
BDBM257 OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C(=O)CSCc1ccccc1Cl |r|
BDBM258 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C=O |r|
BDBM259 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C(=O)CSCc1ccccc1Cl |r|
BDBM260 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM261 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)o1)C=O |r|
BDBM262 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)o1)C(=O)CSCc1ccccc1Cl |r|
BDBM263 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1cccnc1 |r|
BDBM264 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccncc1 |r|
BDBM265 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CCCc1ccccc1 |r|
BDBM266 OC(=O)C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O |r|
BDBM267 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)nc1)C=O |r|
BDBM268 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)nc1)C=O |r|
BDBM269 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O |r|
BDBM270 CS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM271 CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM272 CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM273 CS(=O)(=O)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM274 CC(=O)NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM275 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nnn[nH]2)nc1)C=O |r|
BDBM276 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)nc1)C=O |r|
BDBM277 CSCC(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1 |r|
BDBM278 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
BDBM279 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1 |r|
BDBM280 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r|
BDBM7401 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
BDBM10181 CC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10211 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1 |r|
BDBM10212 OC(=O)C[C@H](NC(=O)Cc1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
BDBM10213 CCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r|
BDBM10214 OC(=O)C[C@H](NC(=O)C(c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)c1ccccc1)C=O |r|
BDBM10215 FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1
BDBM10182 CCC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10183 CCCC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10184 CC(C)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10185 CC(C)CC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10186 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)Cc1ccccc1)C=O |r|
BDBM10187 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C1CCCC1)C=O |r|
BDBM10188 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O |r|
BDBM10189 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1F)C=O |r|
BDBM10190 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(F)c1)C=O |r|
BDBM10191 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(F)cc1)C=O |r|
BDBM10192 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1Cl)C=O |r|
BDBM10193 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(Cl)c1)C=O |r|
BDBM10194 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(Cl)cc1)C=O |r|
BDBM10195 Cc1ccccc1C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10196 Cc1cccc(c1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10197 Cc1ccc(cc1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10198 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccs1)C=O |r|
BDBM10199 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccsc1)C=O |r|
BDBM10200 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccccc1)c1ccccc1)C=O |r|
BDBM10201 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)cc1)c1ccccc1)C=O |r|
BDBM10202 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)C(O)=O)c1ccccc1)C=O |r|
BDBM10203 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nnn[nH]1)c1ccccc1)C=O |r|
BDBM10204 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)s[nH]1)c1ccccc1)C=O |r|
BDBM10205 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)o[nH]1)c1ccccc1)C=O |r|
BDBM10206 Cn1c(noc1=O)-c1cccc(c1)S(=O)(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccccc1 |r|
BDBM10207 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O |r|
BDBM10208 CSCC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1 |r|
BDBM10209 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C(=O)CSCc1ccccc1Cl |r|
BDBM10210 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
BDBM10331 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10332 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10333 CC(=O)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10334 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10335 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cn1 |r|
BDBM10336 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)ccn1 |r|
BDBM10337 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)n1 |r|
BDBM10338 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10339 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10340 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10341 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10342 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10343 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM10344 Fc1ccccc1CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
BDBM10345 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cn1 |r|
BDBM10346 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)ccn1 |r|
BDBM10347 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)n1 |r|
BDBM10348 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10349 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10350 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
BDBM10351 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10352 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10353 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM10354 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccncc1 |r|
BDBM10355 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10358 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM10359 CC(C)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10360 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccccc1)S(=O)(=O)N1CCOCC1
BDBM10361 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccco1)S(=O)(=O)N1CCOCC1
BDBM10362 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2\C=C\c1ccc(cc1)C(F)(F)F)S(=O)(=O)N1CCOCC1
BDBM10363 CC(=O)OCCN1C(=O)c2c(C1=O)c(=O)[nH]c1ccc(cc21)S(=O)(=O)N1CCOCC1
BDBM10364 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Cl)S(=O)(=O)N1CCOCC1
BDBM10366 COC(=O)CSc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10367 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2N1CCOCC1)S(=O)(=O)N1CCOCC1
BDBM10368 CCOC(=O)C[C@@H](Nc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1)C(=O)OCC |r|
BDBM10375 Cc1nc2ccccc2c2C(=O)NC(=O)c12
BDBM10376 Cc1nc2ccc(F)cc2c2C(=O)NC(=O)c12
BDBM10377 Cc1nc2ccc(Br)cc2c2C(=O)NC(=O)c12
BDBM10378 Cc1nc2ccc(cc2c2C(=O)NC(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10379 CN1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM10380 CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM10381 CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM10382 COC(=O)CN1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM10383 COC(=O)CN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
BDBM10384 COC(=O)CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM10369 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Nc1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1
BDBM10370 COC(=O)CS(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10371 COC(=O)CS(=O)(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10372 CN(C)C(=O)c1ccc(cc1)-c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
BDBM10385 COC(=O)CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM10386 COC(=O)CCN1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM10387 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
BDBM10388 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM10389 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM10390 Cc1ccccc1N1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM10391 Cc1ccccc1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM10392 Cc1nc2ccc(cc2c2C(=O)N(C(=O)c12)c1ccccc1C)S(=O)(=O)N1CCOCC1
BDBM10393 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S([O-])(=O)=O
BDBM10394 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM10395 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(O)(=O)=O
BDBM10397 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)C#N
BDBM10398 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(N)(=O)=O
BDBM10399 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO
BDBM10400 COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C
BDBM10401 COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C |r|
BDBM10402 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCC[C@@H]1COc1ccccc1 |r|
BDBM10403 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM10373 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1
BDBM10374 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1cccnc1)S(=O)(=O)N1CCOCC1
BDBM10249 C=CCN1C(=O)C(=O)c2ccccc2C1=O
BDBM10250 O=C1N(Cc2ccccc2)C(=O)c2ccccc2C1=O
BDBM10251 O=C1N(CCc2ccccc2)C(=O)c2ccccc2C1=O
BDBM10252 COc1ccc(CN2C(=O)C(=O)c3ccccc3C2=O)cc1
BDBM10253 Fc1ccc(CN2C(=O)C(=O)c3ccccc3C2=O)cc1
BDBM10254 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1
BDBM10255 COc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10256 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccc(cc1)N(=O)=O
BDBM10257 Clc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10277 ClCCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10278 ClCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10220 OC(=O)c1csc(n1)C1COc2ccccc2O1
BDBM10221 CN(C)C(=O)c1csc(n1)C1COc2ccccc2O1
BDBM10279 ClCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10298 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
BDBM10299 O=C1Nc2ccc(cc2C1=O)N(=O)=O
BDBM10300 CN1C(=O)C(=O)c2cc(ccc12)C([O-])=O
BDBM10297 CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
BDBM10301 COC(=O)c1ccc2N(C)C(=O)C(=O)c2c1
BDBM10302 CN1C(=O)C(=O)c2cc(I)ccc12
BDBM10303 CN1C(=O)C(=O)c2cc(ccc12)C#N
BDBM10304 CN1C(=O)C(=O)c2ccccc12
BDBM10305 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10306 COC[C@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10307 COCCN(C)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
BDBM10308 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC1
BDBM10309 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
BDBM10310 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCCC1
BDBM10311 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCCCC1
BDBM10312 COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10313 CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10314 CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10315 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r|
BDBM10316 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 |r|
BDBM10317 O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM10318 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10319 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CSc1ccccc1 |r|
BDBM10320 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10321 C=CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10322 O=C1N(CC2CCCCC2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10323 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10324 CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10325 OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10326 O=C1N(Cc2ccncc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
BDBM10330 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM10217 O=C(NCc1ccco1)c1csc(n1)C1COc2ccccc2O1
BDBM10218 O=C(Oc1ccccc1)c1csc(n1)C1COc2ccccc2O1
BDBM10219 O=C(Sc1cccs1)c1csc(n1)C1COc2ccccc2O1
BDBM10222 Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1
BDBM10223 CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1
BDBM10224 O=C(N1CCOCC1)c1csc(n1)C1COc2ccccc2O1
BDBM10225 Cc1nc(sc1C(O)=O)C1COc2ccccc2O1
BDBM10246 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM10258 CC(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10259 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)C1CC1
BDBM10260 Fc1ccc(cc1)C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10261 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1cccc(c1)N(=O)=O
BDBM10262 COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10263 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)OCc1ccccc1
BDBM10264 CC(=O)OC(C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1
BDBM10265 O=C(Cc1ccc(cc1)N(=O)=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10266 Fc1ccc(CC(=O)Nc2cccc3C(=O)NC(=O)C(=O)c23)cc1
BDBM10267 O=C(Cc1ccccc1)Nc1cccc2C(=O)NC(=O)C(=O)c12
BDBM10268 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccccc1
BDBM10269 COc1ccccc1C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10270 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccc(cc1)N(=O)=O
BDBM10271 Clc1ccccc1C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10280 OC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10281 OC(=O)CCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10282 CCCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10283 C=CCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10284 O=C(CCC(=O)N1CCCCC1)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10285 O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)NCc1ccccc1
BDBM10286 O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)Nc1ccccc1
BDBM10287 COc1ccccc1NC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10288 COc1ccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)cc1
BDBM10289 COc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
BDBM10290 Fc1ccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)cc1
BDBM10291 CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
BDBM10292 CCCOc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
BDBM10293 O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccccc1
BDBM10294 COc1ccccc1C(=O)Nc1ccc2C(=O)C(=O)NC(=O)c2c1
BDBM10295 O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccc(cc1)N(=O)=O
BDBM10296 Clc1ccccc1C(=O)Nc1ccc2C(=O)C(=O)NC(=O)c2c1
BDBM10272 CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10273 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)C1CCCCC1
BDBM10216 CCOC(=O)c1csc(n1)C1COc2ccccc2O1
BDBM10247 O=C1NC(=O)c2ccccc2C1=O
BDBM10248 CN1C(=O)C(=O)c2ccccc2C1=O
BDBM10274 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccccc1N(=O)=O
BDBM10275 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1cccc(c1)N(=O)=O
BDBM10276 COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
BDBM10564 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCCCc1ccccc1 |r|
BDBM10565 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSc1ccccc1 |r|
BDBM10566 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccccc1 |r|
BDBM10567 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10568 CCN(CC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10569 CCCN(CCC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10570 CCN(C(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10571 CC(C)CN(CC(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10572 CN(C)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10573 CCN(CC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10574 CCCN(CCC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10575 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10576 CN(C1CC1)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10577 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NCc1ccccc1)C(=O)CSCc1ccc(F)cc1 |r|
BDBM10578 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C=O |r|
BDBM10579 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CNCc1c(F)cccc1F |r|
BDBM10580 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)Oc1ccccc1 |r|
BDBM10581 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)COC(=O)c1cccc2ccccc12 |r|
BDBM10654 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10656 CCCCCCN(C)CC(=O)[C@H](CC([O-])=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |r|
BDBM10658 OC(=O)C[C@H](NC(=O)c1cncc(c1)-c1ccc(cc1)C(O)=O)C=O |r|
BDBM10660 CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10661 CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10662 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC(C)C)c1 |r|
BDBM10663 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl)c1 |r|
BDBM10664 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC2CCCCC2)c1 |r|
BDBM10665 COc1ccccc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10666 COc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
BDBM10669 CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10670 CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10671 CCOc1ccc(OCC(O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10674 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O |r|
BDBM10675 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
BDBM10557 OC(=O)C[C@H](NC(=O)c1ccccc1)C=O |r|
BDBM10558 OC(=O)C[C@H](NC(=O)c1ccccn1)C=O |r|
BDBM10559 OC(=O)C[C@H](NC(=O)c1cccnc1)C=O |r|
BDBM10560 OC(=O)C[C@H](NC(=O)c1ccncc1)C=O |r|
BDBM10652 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
BDBM10653 CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
BDBM10561 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C=O |r|
BDBM10562 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)Cc1ccccc1 |r|
BDBM10563 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCc1ccccc1 |r|
BDBM10543 CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10544 CCC(O)(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10545 CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10546 CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10547 CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10548 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
BDBM10549 COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10551 COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10552 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
BDBM10553 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
BDBM10554 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
BDBM10555 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
BDBM10556 COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10527 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10528 COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10529 CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC |r|
BDBM10530 COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10531 COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10532 COc1ccc(Br)cc1C1(CC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10533 COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10534 COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10535 COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10536 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10537 CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10538 CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10539 CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10540 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM10541 CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1 |r|
BDBM10542 CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
BDBM19729 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:22|
BDBM19730 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,c:4|
BDBM19728 OC(=O)C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 |r|
BDBM22817 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
BDBM24065 CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
BDBM29570 Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
BDBM29571 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1
BDBM29572 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM29573 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
BDBM29574 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29575 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
BDBM29576 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1
BDBM29577 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1Cl
BDBM29578 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1
BDBM29579 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1
BDBM29580 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1Cl
BDBM29581 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1
BDBM29582 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1
BDBM29583 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1
BDBM29584 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29585 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
BDBM29586 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
BDBM29587 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
BDBM29588 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1 |r|
BDBM29652 Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
BDBM29569 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
BDBM30722 CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
BDBM30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
BDBM50072040 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072053 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM30895 Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F
BDBM33115 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
BDBM33057 Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
BDBM33185 OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
BDBM33943 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1
BDBM34182 O=c1[nH]c(Nc2ccccc2)cc2ccccc12
BDBM33797 CN(C)c1ccc(NC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)cc2)cc1
BDBM33686 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1
BDBM32018 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
BDBM32085 OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
BDBM32030 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
BDBM32033 CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
BDBM36332 CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
BDBM36333 CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r|
BDBM36366 CN1CCN(CC(=O)N\N=C\c2ccccc2O)CC1
BDBM36367 CC=NNC(=O)CN1CCN(Cc2ccccc2)CC1 |w:1.0|
BDBM36368 NNC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM36369 CCOC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM36370 CCOC(=O)CN1CCNCC1
BDBM36363 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM36364 Oc1ccccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM36365 O=C(CN1CCN(Cc2ccccc2)CC1)N\N=C\c1ccccc1
BDBM34697 CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
BDBM34893 CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
BDBM34662 COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
BDBM34737 Cc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM34901 CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
BDBM34581 CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
BDBM34906 CCOC(=O)c1nn(-c2ccccc2C)c(=O)c2c(N)scc12
BDBM34628 COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1
BDBM34635 CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
BDBM34768 COc1ccc(CN=Nc2cc(nc(n2)N(C)C)N(C)C)cc1 |w:8.8|
BDBM34637 COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
BDBM34793 Cc1cc(C)c[n+](c1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
BDBM34691 Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
BDBM34924 COc1ccc2c(C#N)c3ccccn3c2c1
BDBM34692 Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
BDBM35192 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r,c:4|
BDBM35193 COc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:27|
BDBM35194 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 |r,c:4|
BDBM35195 CC(=O)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:28|
BDBM35196 CC(C)(C)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:29|
BDBM35197 Cc1cc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)ccc1F |r,c:25|
BDBM35198 COc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)c(Cl)c1 |r,c:27|
BDBM35199 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccn1 |r,c:4|
BDBM35200 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cn1 |r,c:4|
BDBM35201 Cc1cccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)n1 |r,c:27|
BDBM35202 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r,c:4|
BDBM35203 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cncc(Cl)c1 |r,c:4|
BDBM35204 Cc1ncccc1OC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:29|
BDBM35205 COC(=O)c1cncc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)c1 |r,c:30|
BDBM35206 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 |r,c:4|
BDBM35207 CCOC(=O)N1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)CC1 |r,c:29|
BDBM35208 CN1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)CC1 |r,c:25|
BDBM35209 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1CNC1CCCCC1 |r,c:4|
BDBM35210 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)C(=O)N1CCC[C@H]1COc1ccccc1 |r,c:4|
BDBM35211 COC[C@@H]1CCCN1C(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:21|
BDBM35212 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccccc3)cc1C2=O |c:4|
BDBM35213 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccccc3F)cc1C2=O |c:4|
BDBM35214 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc1C2=O |c:4|
BDBM35215 COc1cccc(c1)S(=O)(=O)Nc1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |c:23|
BDBM35216 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1C2=O |c:4|
BDBM35217 COc1ccc(cc1)S(=O)(=O)Nc1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |c:23|
BDBM35218 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc1C2=O |c:4|
BDBM35219 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1C2=O |c:4|
BDBM35220 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCC4)CN=C3C(=O)c2c1 |r,c:24|
BDBM35221 O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
BDBM35222 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCCC4)CN=C3C(=O)c2c1 |r,c:25|
BDBM35223 O=C1C2=NCC3(CCCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
BDBM35224 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCCCC4)CN=C3C(=O)c2c1 |r,c:26|
BDBM35225 O=C1C2=NCC3(CCCCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
BDBM35371 Nc1c(cc(Cl)c2nonc12)N1CCCC1
BDBM35362 Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
BDBM35523 COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
BDBM37478 CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
BDBM39086 CCOc1ccc(OCc2ccc(o2)C(=O)OCc2ccccn2)cc1
BDBM38854 CCCOc1ccc(cc1)-c1nnc(o1)-c1ccco1
BDBM38998 O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
BDBM40508 O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)c1cccnc1
BDBM38888 Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1 |t:13|
BDBM38276 Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
BDBM38251 CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|
BDBM37261 Cc1ccc(OCc2nc(no2)-c2ccccc2)c(C)c1
BDBM37050 Cc1ccccc1-c1nnc(SCc2ccccc2F)o1
BDBM37061 COc1cccc2sc(Nc3nc(cs3)-c3ccccn3)nc12
BDBM37122 Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
BDBM37133 CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
BDBM41509 O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1 |c:9,t:2|
BDBM50002354 O=C(NCc1ccccn1)n1sc2ccccc2c1=O
BDBM50002356 O=C(NCc1ccco1)n1sc2ccccc2c1=O
BDBM50002357 O=C(NCCc1cccs1)n1sc2ccccc2c1=O
BDBM50002359 O=C(Nc1ccccc1N1CCOCC1)n1sc2ccccc2c1=O
BDBM50002364 CN1CCN(CC1)c1ccccc1NC(=O)n1sc2ccccc2c1=O
BDBM39565 Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
BDBM40698 Cc1csc(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)n1 |w:6.6|
BDBM40684 Cc1ccc2n3CCN(C4CCc(c34)c(=O)c2c1)C(=O)CCl
BDBM39980 NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2CCCc12
BDBM39429 Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1O
BDBM39620 Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
BDBM39710 Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
BDBM39749 FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM43662 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
BDBM42140 Nc1nnc2CCCCc2n1
BDBM42187 CCO\C=C1/C(=O)N(C(=O)c2ccccc12)c1ccccc1
BDBM42142 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4|
BDBM42254 Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
BDBM42260 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1
BDBM42262 CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
BDBM42151 [O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
BDBM42197 Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
BDBM41826 COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
BDBM42207 [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
BDBM42209 O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
BDBM41831 CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
BDBM41832 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
BDBM41839 NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
BDBM42216 Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
BDBM42222 CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
BDBM42237 O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
BDBM42239 CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
BDBM45191 Cc1cc(C)n(CCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1
BDBM46292 Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
BDBM44019 CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|
BDBM45489 [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1 |c:4|
BDBM44439 O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1
BDBM43966 Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
BDBM43980 Clc1ccccc1OCc1ccc(o1)C(=O)OCc1ccccn1
BDBM48002 CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O
BDBM48245 COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
BDBM48410 C1CCC(CC1)c1noc(n1)-c1ccccc1
BDBM48275 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccc(C)cc1C |w:4.3|
BDBM48474 COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
BDBM48039 Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM48112 CC(C)c1ccc(cc1)-c1nnn(CCC(O)=O)n1
BDBM47551 [H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
BDBM47668 CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12 |w:6.25|
BDBM47436 COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O
BDBM46528 NC(=N[N-][CH+]c1ccc(cc1)[N+]([O-])=O)c1nonc1N |w:2.2|
BDBM46760 CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
BDBM46658 O=c1[nH]sc2ccccc12
BDBM46407 Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O
BDBM46589 Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
BDBM46593 OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
BDBM46420 Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F
BDBM51101 N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
BDBM51266 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
BDBM49807 [O-][N+](=O)c1cccc(c1)-c1cn2ccccc2n1
BDBM49990 Fc1ccccc1SCc1nnc(o1)-c1ccccc1Br
BDBM50343 Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)c1Cl
BDBM49769 CC(=O)c1sc(N=NCc2ccccc2O)nc1C |w:6.5|
BDBM49772 Brc1ccc(s1)C(=O)Nc1ccc2CCCc2c1
BDBM49786 COc1cccc(NC(=O)C(=S)NC2CCCCC2)c1
BDBM50445 Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6|
BDBM50660 CCOC(=O)NNc1ccc2nonc2c1[N+]([O-])=O
BDBM50722 OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cc(Cl)ccc1Cl |w:9.9|
BDBM50950 [O-][N+](=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
BDBM50633 C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
BDBM49202 CCn1cnc2sc(cc2c1=O)-c1ccccc1
BDBM49391 Cc1ccc(cc1)-n1cc2ccc(cc2n1)[N+]([O-])=O
BDBM49535 C(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:2.2|
BDBM49672 CN(c1ccccc1)c1ccc(C=NN2CCOCC2)cc1 |w:13.14|
BDBM49627 CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1
BDBM49717 [#6]-[#8]-c1ccc(-[#7]\[#6](-[#6])=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1
BDBM49587 Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
BDBM49590 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1
BDBM49631 CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
BDBM49402 Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:8|
BDBM49449 CCCOc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1
BDBM49718 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-[#6]
BDBM49721 Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl
BDBM49265 Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1
BDBM49455 CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
BDBM49728 Cc1ccc(OCc2nc(no2)-c2cccs2)c(c1)[N+]([O-])=O
BDBM49410 Cc1snc2sc(C(=O)c3ccc(C)cc3)c(N)c12
BDBM49459 CCCSC(N)=NN=Cc1cc(C)ccc1O |w:4.3,7.6|
BDBM49642 Brc1ccc(cc1)C(=O)NCCSc1ccccc1
BDBM49514 COc1ccc(NC(=O)c2csc3CCCCc23)cc1
BDBM49735 CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
BDBM49186 Cn1c(cc2sccc12)C(=O)Nc1ccc2OCOc2c1
BDBM49473 COc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
BDBM49564 CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(C)cn2)n1
BDBM49238 NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1
BDBM49285 Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
BDBM49194 C(Cc1ccccc1)Nc1ncnc2n(ncc12)-c1ccccc1
BDBM49290 Brc1ccc(s1)C(=O)Nc1nc2CCCCc2s1
BDBM49338 Cn1c(SCc2ccc(cc2Cl)C#N)nc2ccccc12
BDBM49434 O=C(CSCc1ccccc1)N1CCc2ccccc12
BDBM49482 Cc1ccc(cc1)S(=O)(=O)NC(=NC(=S)Nc1ccccc1)c1ccccc1 |w:12.13|
BDBM49249 Oc1c(ccc2ccccc12)-c1cc(n[nH]1)-c1ccco1
BDBM49251 Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Cl)c1
BDBM53473 Cc1nc(N=NCc2ccc3OCOc3c2)sc1C |w:4.3|
BDBM53450 Cc1cccc(c1)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
BDBM53462 COc1cccc(c1)C(=O)Oc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1OC |w:17.18|
BDBM52448 Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|
BDBM52814 CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|
BDBM53108 COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
BDBM51685 COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11|
BDBM55755 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
BDBM55881 OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1 |(3.45,13.18,;3.45,11.7,;4.73,10.96,;4.73,9.48,;3.45,8.74,;2.13,9.54,;.79,8.78,;.79,7.24,;2.13,6.48,;3.45,7.27,;4.73,6.53,;6.01,7.27,;7.34,6.48,;8.68,7.24,;8.68,8.78,;7.34,9.54,;6.01,8.74,;9.95,9.52,;9.95,11,;11.23,11.74,;12.51,11.01,;12.51,9.53,;11.24,8.79,)|
BDBM54441 CCOc1cccc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|
BDBM54414 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
BDBM54763 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
BDBM54924 Oc1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
BDBM54374 CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O
BDBM54092 Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O
BDBM53877 O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O |c:26|
BDBM54141 OC(=O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
BDBM57985 O=c1n2CCCc2nc2sc(cc12)-c1ccccc1
BDBM58054 CC(C)c1ccc(Nc2[nH]nc(C)c2[N+]([O-])=O)cc1
BDBM58060 CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:11|
BDBM58159 O=C1N=C(Nc2ccccc2)SC1=Cc1c[nH]c2ccccc12 |w:13.15,t:2|
BDBM57145 CCn1c(SCc2ccccc2Cl)nc2ccccc12
BDBM57255 OC(c1nnc(o1)-c1ccccc1)c1ccc(OCc2ccccc2)cc1
BDBM57040 COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
BDBM57185 Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
BDBM56965 Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12
BDBM57089 CC(=O)c1cccc2C(=O)C(Nc12)=C1Nc2ccccc2C1=O |w:10.10|
BDBM57447 N=C1N2C(SCc3ccccc3)=NSC2=NC(=O)\C1=C/c1cccs1 |c:12,16|
BDBM57513 Oc1ccccc1C=NNC(=O)C(=O)CC1=NC2(CCCC2)Cc2ccccc12 |w:8.9,t:16|
BDBM57516 OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2ccccc2Cl)cc1 |w:9.9|
BDBM56176 CC(C)(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
BDBM56070 COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
BDBM61075 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
BDBM60420 Oc1ccc(cc1)-c1nc2ccccn2c1NCc1ccco1
BDBM59873 CCN(CC)c1ccc(NC(=O)COC(=O)c2cccs2)cc1
BDBM58439 CN(C)c1ccc(CN=Nc2nc3ccccc3o2)cc1 |w:9.9|
BDBM58583 COc1cccc2oc3cc(ccc3c(=O)c12)-c1ccc2[nH]ccc2c1
BDBM58482 COc1ccc(-c2cc(n[nH]2)-c2ccc(C)cc2)c(O)c1
BDBM58408 Cc1cccc(Nc2nc(cs2)-c2ccc(F)c(C)c2)n1
BDBM63168 Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc23)c1C(N)=O |w:12.12|
BDBM62871 CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
BDBM63310 O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O
BDBM61741 Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
BDBM61656 OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
BDBM61908 Cn1sc2ccccc2c1=O
BDBM62277 CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O |w:9.9|
BDBM61987 COc1ccc(cc1)-c1cc2ccccc2[nH]1
BDBM61945 O=C(NCc1ccccc1)n1sc2ccccc2c1=O
BDBM61946 O=C(Nc1ccccc1)n1sc2ccccc2c1=O
BDBM61214 OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
BDBM61224 [O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1 |w:10.10|
BDBM61226 Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
BDBM61232 COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
BDBM61233 NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
BDBM61179 OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
BDBM61195 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM61197 COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
BDBM61205 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
BDBM65938 CCCCc1ccc(NC(=O)Nc2cccnc2)cc1
BDBM66459 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1
BDBM64030 CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
BDBM64087 Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccccc1
BDBM64604 CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM64790 CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
BDBM64796 OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
BDBM64797 CCCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
BDBM65559 CC(=O)Oc1c(oc2ccccc2c1=O)-c1ccc(Br)o1
BDBM64563 Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
BDBM64897 O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1
BDBM64799 CN1C2ON(C)CC[C@@]2(C)c2cc(O)ccc12
BDBM64802 COc1ccc(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
BDBM65159 CCCCCc1ccc(nc1)-c1ccc(\C=C\C(O)=O)cc1
BDBM64997 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |w:11.12|
BDBM64780 Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM64781 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7|
BDBM64785 Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
BDBM64786 COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
BDBM68703 ClCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
BDBM68541 Fc1ccccc1CSc1nnc(o1)-c1ccccc1
BDBM67603 O=[#6]-1-[#6]=[#6]\[#6](=[#6]\[#6]-c2ccnc3ccccc23)-[#6]=[#6]-1 |c:2,19|
BDBM68768 Oc1ccc2occ(C(=O)c3cccs3)c2c1
BDBM66566 Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1
BDBM71227 Cc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12
BDBM70895 Oc1c(Cl)c(N=CC=C)c(O)c2ccccc12 |w:5.4|
BDBM71409 COc1ccccc1-n1c(O)cc2ccccc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
BDBM71412 COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
BDBM71415 CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
BDBM71162 Cc1ccc(NC(=O)COc2cccc(\C=C3/SC(=S)N(CCC(O)=O)C3=O)c2)cc1Cl
BDBM71455 COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
BDBM71503 CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
BDBM70961 COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
BDBM71269 COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
BDBM71270 O=c1[nH]c(cc2ccccc12)N1CCOCC1
BDBM71272 CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
BDBM71273 Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
BDBM71762 CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
BDBM70988 Nc1ccc(N2CCCCC2)c2nonc12
BDBM71181 ClCCCC1C(=O)C(=O)c2ccccc2C1=O
BDBM71188 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
BDBM71200 CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
BDBM71070 CCC(=O)N(C(C)C)c1c(O)c2ccccc2c(O)c1N=C
BDBM71372 COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
BDBM71730 Cc1ccc(s1)C(=O)OCC(=O)c1ccc(Cl)s1
BDBM71105 COc1ccc(cc1)-c1csc(CCn2[nH]c(C)cc2=O)n1
BDBM70782 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
BDBM70813 CC1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
BDBM70843 COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
BDBM70844 Fc1ccc(NC2=C(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM70604 CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
BDBM69620 Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
BDBM69656 Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
BDBM73766 CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1
BDBM73835 Fc1ccc(COc2ccc(cc2)C(=S)N2CCCC2)cc1
BDBM72697 COc1nc(C)ccc1-c1noc(n1)-c1cccs1
BDBM50002736 CN1CCN(CC1)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM72741 C1C2CCc3ccccc3C2=NN1c1ccccc1 |c:12|
BDBM72560 Clc1ccc(CSc2nc3ccsc3c(=O)[nH]2)cc1
BDBM72681 NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM72330 Clc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
BDBM72108 N(c1nnc(s1)-c1ccncc1)c1cccc2ccccc12
BDBM76372 Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1
BDBM76373 CCOc1cccc(c1)-c1nc2cc(C)ccc2o1
BDBM76374 CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
BDBM76418 CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C
BDBM76419 Cc1ccc(Nc2ncnc3c4ccccc4oc23)cc1
BDBM76420 Clc1ccccc1COC(=O)c1cccnc1Cl
BDBM76421 CC(C)(C)NC(=O)COc1ccc(cc1)-c1ccccc1
BDBM76422 CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
BDBM76423 Cc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
BDBM76424 Nc1c(N=Nc2ccccc2F)c(=O)[nH]n1-c1ccccc1 |w:3.2|
BDBM76375 Clc1ccc2oc(nc2c1)-c1ccccc1
BDBM76376 COc1ccc(cc1)-c1noc(Cc2cccs2)n1
BDBM76377 OC(=O)c1ccc(OC2CSC2)cc1
BDBM76378 CCOC(=O)c1cc2ccc3ccccc3c2s1
BDBM76379 COC(=O)c1sccc1NC(=O)CCC1CCCCC1
BDBM76380 Cc1cc(C)n(n1)-c1cc(Oc2ccc(C)cc2)ncn1
BDBM76382 O=C(CCc1ccccc1)c1ccc2OCCCOc2c1
BDBM76381 CCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
BDBM76383 Cc1ccccc1-c1nc2cc(Cl)ccc2o1
BDBM76384 Clc1ccc(NC(=O)Nc2nccs2)cc1
BDBM76385 O=c1oc(nc2sc3CCCCc3c12)-c1ccco1
BDBM76386 Brc1ccc(o1)C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
BDBM76388 COc1ccc(cc1)-c1csc(NC(=O)c2ccco2)n1
BDBM76339 Brc1ccc(cc1)-c1cnc(o1)-c1cccs1
BDBM76340 Cc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
BDBM76341 CN(C(=O)c1ccccc1)c1nc2ccccc2s1
BDBM76387 Cc1ccccc1-c1nc2sc3CCCc3c2c(=O)o1
BDBM76389 Cc1ccc2oc(nc2c1)-c1ccccc1
BDBM76390 OC(=O)c1cccc(c1)-c1nnn(Cc2ccccc2Cl)n1
BDBM76342 O=c1n2CCCN=c2sc1=Cc1ccc2OCOc2c1 |c:6|
BDBM76343 Cc1c(NC(=O)c2ccccc2N)cccc1C(O)=O
BDBM76344 C=COC(=O)CSc1nc(ccc1C#N)-c1cccs1
BDBM76391 Cc1ccccc1-c1nnc(o1)-c1ccccc1C
BDBM76392 Fc1cccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)c1
BDBM76345 COc1ccc(OC(=O)c2cc3ccccc3o2)cc1
BDBM76346 Cc1ccc2oc(nc2c1)-c1ccco1
BDBM76347 CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM76393 Clc1ccccc1-c1ccc(o1)C(=O)Nc1ccccc1
BDBM76394 COc1ccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)cc1
BDBM76395 COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
BDBM76348 COC(=O)Nc1nnc(s1)-c1ccccc1Cl
BDBM76349 Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1
BDBM76350 Cc1ccnc2ccc(cc12)-c1nc2ccccc2o1
BDBM76396 Brc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
BDBM76397 Cc1ccn2n(C(=O)c3ccccc3)c(=S)nc2c1
BDBM76398 Cc1noc(CC=Nc2cccc(C)c2)c1[N+]([O-])=O |w:7.7|
BDBM76351 CCOC(=O)c1cc(n[nH]1)-c1cc2ccccc2o1
BDBM76352 COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1
BDBM76353 c1csc(c1)-c1csc(n1)-c1cccs1
BDBM76399 Clc1ccsc1-c1csc(n1)-c1cccnc1
BDBM76400 Clc1nnc(N=NCc2ccccc2)c2ccccc12 |w:5.4|
BDBM76401 CSc1ccccc1NC(=O)c1cc(on1)C1CC1
BDBM76402 Cc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)n1N
BDBM76403 CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C)c2)c1C |w:10.9|
BDBM76404 O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1
BDBM76405 Clc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
BDBM76406 Fc1ccc(NC(=S)N2N=CCC2c2ccccc2)cc1 |c:9|
BDBM76354 CSc1ncccc1C(=O)OCc1ccccc1
BDBM76355 Fc1cccc2sc(nc12)N1CCCCC1
BDBM76356 Nc1nc2ccccc2n1N=Cc1ccc(Br)cc1
BDBM76279 CCCC1CCC(=CC1=O)c1ccc(OCC)cc1 |c:6|
BDBM76357 CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
BDBM76358 CN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccccc1
BDBM76359 N(c1ccccc1)c1ncnc2c3ccccc3oc12
BDBM76360 O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)N1CCOCC1
BDBM76361 Cc1cccc(c1)-c1noc(n1)C1CCCCC1
BDBM76362 CCOC(=O)c1sc(cc1N)-c1ccc(OC)cc1
BDBM76363 Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8|
BDBM76364 Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccco2)cc1
BDBM76407 CCSc1nnc(NC(=O)c2ccc(C)cc2)s1
BDBM76408 O=C1N(CCSc2ccccc2)C(=O)c2ccccc12
BDBM76409 CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1
BDBM76365 COc1ccc(cc1)-c1cc(O)cc(O)c1
BDBM76410 Cc1ccc(cc1)-c1noc(CSc2ccccc2)n1
BDBM76411 COc1ccc(cc1)C(N)=NOC(=O)CSc1ccccc1 |w:10.11|
BDBM76366 COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;13.85,-.45,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
BDBM76367 Cc1occc1C(=O)Nc1nnc(s1)C1CCCCC1
BDBM76368 Clc1ccc(COn2nnc3ccccc23)c(Cl)c1
BDBM76412 Cc1ccc(cc1C)C(=O)c1cc2ccccc2o1
BDBM76413 COC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
BDBM76414 Clc1ccc2oc(cc(=O)c2c1)-c1cccs1
BDBM76369 Clc1ccc(s1)C(=O)Nc1nc2ccccc2s1
BDBM76370 CC1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(C)c1
BDBM76371 Brc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1
BDBM76415 Cc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1F
BDBM76416 COCC(C)n1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C
BDBM76417 COc1cccc(Nc2nc(cs2)-c2ccc3OCCOc3c2)c1
BDBM74834 COc1c([c-](\C=C(/C#N)c2[nH]c3ccccc3[nH+]2)ccc1=O)[N+]([O-])=O
BDBM75165 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(O)c(O)c1)C#N |w:11.13|
BDBM75627 Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
BDBM75739 Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
BDBM50002353 Cc1ccc(NC(=O)n2sc3ccccc3c2=O)nc1
BDBM50002355 O=C(NCCc1ccccn1)n1sc2ccccc2c1=O
BDBM50002358 O=C(NCCCc1ccccc1)n1sc2ccccc2c1=O
BDBM77495 COC(=O)C1=C(CCS1)NC(=O)c1cccc(OC)c1 |t:4|
BDBM50002365 CN1CCN(CC1)c1cccc(NC(=O)n2sc3ccccc3c2=O)c1
BDBM50002361 O=C(Nc1cccc(c1)N1CCOCC1)n1sc2ccccc2c1=O
BDBM50002362 O=C(Nc1ccc(cc1)N1CCOCC1)n1sc2ccccc2c1=O
BDBM50002743 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)n1sc2ccccc2c1=O
BDBM50002737 O=C(Nc1ccc(cc1)N1CCCCC1)n1sc2ccccc2c1=O
BDBM50002741 O=C(NCc1ccc(cc1)N1CCOCC1)n1sc2ccccc2c1=O
BDBM50002748 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)N1CCCCC1
BDBM50002821 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)-n1cccc1
BDBM77494 CCCCOn1c(C)c(C(=O)OCC)c2c1ccc1nonc21
BDBM77496 Cc1ccc(o1)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 |c:21|
BDBM77497 CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
BDBM77498 CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12 |c:6|
BDBM77499 COc1ccccc1Nc1nc2c(C)cccc2cc1C#N
BDBM77500 Cc1ccc(C)c(c1)N(CC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1)S(C)(=O)=O
BDBM77501 COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1 |t:9|
BDBM77502 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
BDBM77503 NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
BDBM77504 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)-c1ccccc1
BDBM77505 CCN(CC)c1ccc(C=NNC(=S)NCc2ccco2)cc1 |w:10.10|
BDBM77506 CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1
BDBM77507 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(C)cc1
BDBM77508 CC1(C)Cc2c(CO1)c(nc1sc(C(=O)Nc3ccccc3)c(N)c21)N1CCCC1
BDBM77509 COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1
BDBM76461 O=C1\C(Sc2ccccc12)=C\c1cccs1
BDBM76462 Cc1nc(NC(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccc2CCCc2c1
BDBM76463 Cc1c(csc1-c1ccccc1)C(=O)Nc1ccccc1
BDBM76503 Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
BDBM76504 CSc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
BDBM76505 CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
BDBM76552 CN(C)c1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM76553 COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
BDBM76638 Clc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1
BDBM76639 Cc1ccc(NC(=O)c2ccc3OCOc3c2)cc1Cl
BDBM76640 COc1cccc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
BDBM76684 Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(F)cc1
BDBM76685 CCOC(=O)c1ccc(nc1C)-c1ccc2CCCc2c1
BDBM76686 Cc1cccc(OCc2cc(no2)-c2ccccc2)c1C
BDBM76728 Cc1ccc(cc1Cl)C(=O)Nc1ccc2OCOc2c1
BDBM76729 Cc1nn(c(C)c1CCC(=O)Nc1ccc(C)c(F)c1)-c1ccc(nn1)N1CCCCC1
BDBM76730 COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1cccc(c1)C(O)=O
BDBM76464 C(c1ccccc1)n1nc(nc1-c1ccccc1)-c1ccccc1
BDBM76465 Fc1cc(Br)ccc1NC(=O)Nc1cccs1
BDBM76466 CC(C)CSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:5,8|
BDBM76506 COC(=O)c1ccc(nc1C)-c1ccc(F)cc1
BDBM76507 Cc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1
BDBM76508 CCOc1ccc(C=NNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
BDBM76554 CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(OC)c2)c1C |w:10.9|
BDBM76555 O=C(\C=C\c1cccs1)c1ccc(cc1)N1CCOCC1
BDBM76556 O=C(CSc1ncnc2ccccc12)c1cccs1
BDBM76641 Cc1ccc(N=Cc2c(O)c3ccccc3oc2=O)c(C)c1 |w:5.4|
BDBM76642 COCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
BDBM76643 CC(C)c1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
BDBM76687 CSc1ccccc1-c1nc(no1)-c1ccncc1
BDBM76688 c1cn(cn1)-c1ccc(cc1)-c1ccc2ccccc2n1
BDBM76689 Clc1ccccc1NC(=O)Nc1ccc2nccnc2c1
BDBM76690 Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
BDBM76691 CC(=O)Nc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:9.9|
BDBM76767 Cc1ccc(s1)C(=O)COC(=O)c1ccc(Cl)c(N)c1
BDBM76768 COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl
BDBM76467 COc1ccc(\C=C2\CCc3ccccc3C2=O)cc1OC
BDBM76468 Cc1ccc(C\N=c2/c(nn(-c3ccc4OCCOc4c3)n2O)[N+]([O-])=O)cc1
BDBM76469 Cc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nc12
BDBM76470 O=C(\C=C\c1ccccc1)n1cnnc1SC\C=C\c1ccccc1
BDBM76471 COc1ccccc1N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
BDBM76509 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |w:3.3|
BDBM76510 Nc1cc(Cl)nc(N=NCc2c(O)ccc3ccccc23)n1 |w:8.8|
BDBM76511 COc1ccc(cc1)C(N)=NOC(=O)Cc1cccs1 |w:10.11|
BDBM76557 COC(=O)c1ccc(cc1)\N=N\c1ccccc1
BDBM76558 Clc1cccc(OCn2nnc3ccccc3c2=O)c1
BDBM76559 CSc1ncccc1C(=O)OCc1ccccc1Cl
BDBM76598 CC1Cc2cc(C=C3SC(S)=NC3=O)ccc2O1 |w:6.5,c:10|
BDBM76599 C(N=Nc1ccccc1)c1nc2ccccc2s1 |w:2.2|
BDBM76600 Fc1cccc(F)c1-c1nc(no1)-c1ccc(Cl)cc1
BDBM76644 COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
BDBM76645 Brc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
BDBM76646 N=c1oc2ccccc2cc1C(=O)Nc1ccccc1
BDBM76647 CC(C)(C)c1ccc(cc1)C(=O)NCCOc1ccccc1
BDBM76731 CN(C)c1ccc(cc1)\N=N\c1cccc(C)c1
BDBM76732 CCOc1ccc2nc(NC(=O)CSc3cnn[nH]3)sc2c1
BDBM76733 Clc1ccc(-c2cc(no2)C(=O)N2CCCCCC2)c(Cl)c1
BDBM76734 Clc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1
BDBM76735 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc23)c1
BDBM76736 Brc1cccc(\C=C2/SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)c1
BDBM76737 CCc1sc(cc1Br)C(=O)Nc1ccc2OCCOc2c1
BDBM76769 O=C(OCc1ccccc1C#N)c1ccc2OCCOc2c1
BDBM76770 COc1ccc(cc1)-c1cn(CCC(O)=O)c(C)n1
BDBM76771 Fc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
BDBM76772 Cc1cc(no1)-n1c(C)cc(C(=O)COc2ccc(F)c(F)c2)c1C
BDBM76773 [O-][N+](=O)c1ccc(s1)C(=O)OCc1nnc(o1)-c1ccccc1
BDBM76774 COc1cc(Cl)c(NC2=CC(=O)C(=O)c3ccccc23)c(OC)c1 |t:8|
BDBM76775 Clc1cccc(c1)-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1
BDBM50002744 CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM50002740 O=C(Nc1ccc(cc1)-c1ccccn1)n1sc2ccccc2c1=O
BDBM50002742 O=C(Nc1ccc(cc1)C(=O)c1ccccc1)n1sc2ccccc2c1=O
BDBM50002745 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)N1CCOCC1
BDBM50002749 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)-c1ccccn1
BDBM76425 Clc1ccc(cc1)-c1cc2ccccc2[nH]1
BDBM76426 CCCCc1ccc(Nc2ncccc2C#N)cc1
BDBM76427 [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
BDBM76430 Cc1ccc(cc1)-c1cnn(c1N)-c1cccc(c1)[N+]([O-])=O
BDBM76472 Brc1ccc(cc1)N(\C=C1/Sc2ccccc2C1=O)C(=O)c1ccco1
BDBM76512 Cc1ccc(COc2ccc(CN=O)cc2)cc1
BDBM76513 COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
BDBM76514 Oc1ccc(cc1)-n1nnnc1SCC(=O)Nc1sccc1C#N
BDBM76515 CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
BDBM76560 O=C1CC(\C=C\c2ccccc2)=Nc2ccccc2N1 |c:12|
BDBM76561 N(c1nc2ccccc2s1)c1ccccc1
BDBM76562 CC(OC(=O)c1ccc(s1)[N+]([O-])=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
BDBM76601 CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc(F)cc1
BDBM76602 Cc1noc(C)c1-c1nc(no1)-c1cccc(C)c1
BDBM76603 COC(=O)c1sc(cc1N)-c1ccc(Cl)cc1
BDBM76604 N(c1nnc(o1)-c1cccc2ccccc12)c1ccccc1
BDBM76605 FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17|
BDBM76606 COc1cccc(c1)-c1nnc(o1)-c1ccccc1[N+]([O-])=O
BDBM76648 Cc1ccnc(Nc2nc(cs2)-c2ccccc2)c1
BDBM76649 Cc1nc(C)c(s1)-c1csc(Nc2ncccc2C)n1
BDBM76692 COc1cccc(C=C2CCC(C3CCCC3)C2=O)c1 |w:7.6|
BDBM76693 Cc1ccccc1-c1nc(no1)-c1ccc(Br)o1
BDBM76694 CCOC(=O)\C=C\c1ccc2oc3ccccc3c(=O)c2c1
BDBM76695 COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl
BDBM76428 Cc1nnsc1NC(=O)OCc1ccccc1Cl
BDBM76429 O=C(Nc1ccc(cc1)C#Cc1ccccc1)C1CC1
BDBM76432 Cn1c2n(CC(=O)Nc3cccc(c3)-c3nc4ccccc4s3)cnc2c(=O)n(C)c1=O
BDBM76433 CC1Cc2ccccc2N1C(=O)CSc1ncccc1-c1nc2ccc(C)cc2[nH]1
BDBM76473 OC(=O)c1ccc(COc2ccccc2[N+]([O-])=O)o1
BDBM76474 COc1ccc(cc1OC)C(C)=NOCC(=O)Nc1nc2ccccc2s1
BDBM76516 Cc1ccc(C=NOC(=O)c2nn(C)cc2Cl)cc1
BDBM76517 Cc1ccc(SCC(=O)Nc2cc(ccc2O)[N+]([O-])=O)cc1
BDBM76518 CNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
BDBM76563 Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
BDBM76564 CCO\C=C1\C(=O)N(C(=O)c2ccccc12)c1ccc(OC)cc1
BDBM76565 Cc1cccc(c1)N=Nc1cnc(N)s1 |w:7.7|
BDBM76566 [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1
BDBM76567 [O-][N+](=O)c1ccc(=O)[c-](c1)C1CC(N=[NH+]1)c1ccccc1F |c:14|
BDBM76568 CCN(CC)c1ccc(C=NNC(=O)c2ccoc2C)c(O)c1 |w:10.10|
BDBM76569 CCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:6.6|
BDBM76570 OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccccc2F)c2ccccc12 |w:10.11|
BDBM76571 OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:10.11|
BDBM76572 Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)Nc1cccnc1
BDBM76573 COc1cccc(OCc2cc(CN=Nc3ccc(cc3)C(O)=O)ccc2OC)c1 |w:14.14|
BDBM76574 Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccccc3F)CC2)cc1
BDBM76650 CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1
BDBM76651 NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
BDBM76652 Cc1ccnc(Nc2nc(cs2)-c2ccc(F)cc2)c1
BDBM76653 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)[N+]([O-])=O)c1
BDBM76654 CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
BDBM76655 CCc1ccc2oc(nc2c1)-c1ccc(NC(C)=O)cc1
BDBM76696 [O-][N+](=O)c1ccc(cc1)N=[NH+]C[c-]1ccccc1=O |w:9.9|
BDBM76697 CCN(CC)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
BDBM76738 Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NCCCN2CCOCC2)C1=O
BDBM76739 Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(O)cc2O)cc1 |w:11.12|
BDBM76431 Cc1ccc(\C=C\c2nnc(o2)-c2cccs2)cc1
BDBM76475 Brc1cc(NC2OC(=O)c3ccccc23)c2ncccc2c1
BDBM76476 CNC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
BDBM76477 COc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
BDBM76519 Oc1ccccc1C=Cc1noc(n1)-c1ccccc1O |w:8.9|
BDBM76520 FC(F)(F)c1nnc(NC(=O)c2ccc(Br)s2)s1
BDBM76521 O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
BDBM76608 CC(=C)c1sc(nc1C)-c1ccc(Cl)cc1
BDBM76609 CC(N=O)c1ccc2ccc3ccccc3c2c1
BDBM76698 C[N+](=N[N-]c1cccc(c1)[N+]([O-])=O)c1ccccc1 |w:2.2|
BDBM76699 Cc1ccc(Nc2nc(cs2)-c2cccnc2)cc1C
BDBM76700 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1C(F)(F)F |w:11.12|
BDBM76701 COc1ccc(NC(=O)n2ncc3cc(Cl)ccc23)cc1OC
BDBM76741 CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1
BDBM76742 OC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1
BDBM76743 Cc1c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cccc1C(O)=O
BDBM76744 COc1ccc(COC(=O)c2c(C)nn(c2Cl)-c2ccccc2)cc1
BDBM76745 COc1ccc(C)cc1NC(=O)Nc1ccc2CCCc2c1
BDBM76746 COc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
BDBM76776 COc1ccc(cc1)-c1cc2ccc(OC)cc2cn1
BDBM76777 COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1
BDBM76778 C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
BDBM76434 Clc1ccccc1-c1ccc(o1)C(=O)Nc1nccs1
BDBM76435 [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
BDBM76478 Fc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
BDBM76479 Clc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
BDBM76480 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccccc1
BDBM76481 CCOc1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
BDBM76482 CC(C)(C)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
BDBM76483 CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
BDBM76484 CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1
BDBM76522 Oc1ccccc1-c1csc(n1)-c1ccccc1
BDBM76523 COc1cccc(c1)-c1nc(=S)c2CCCCc2o1
BDBM76524 Cc1nc(Nc2ccc(cc2)C(O)=O)sc1-c1ccccc1
BDBM76525 CCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
BDBM76526 COc1ccccc1NC(=O)CCSc1ccc(C)cc1
BDBM76610 Cc1ccc(o1)C(=O)Nc1nc2ccc(Cl)cc2s1
BDBM76611 Cc1cccc(C=NN=Cc2cccc(C)c2)c1
BDBM76612 OC(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
BDBM76656 CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
BDBM76657 Cc1cc(ccc1F)-c1csc(Nc2ccccn2)n1
BDBM76702 N(c1nc(ns1)-c1ccccc1)c1ccccc1
BDBM76703 OC(=O)c1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccccc2F)cc1
BDBM76740 Cc1c(oc2ccccc12)C(=O)Nc1ccc(C)cn1
BDBM76779 CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
BDBM76780 CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM76436 CC(=NOC(=O)c1ccc(Cl)cc1)c1nccs1
BDBM76437 Fc1ccc(cc1)C(=O)ON=C1CCCc2ccccc12
BDBM76438 Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
BDBM76578 Cc1cc(C(=O)NN=C\C(Cl)=C\c2ccccc2)c(C)o1
BDBM76613 Nc1ccccc1C#Cc1ccc(cc1)[N+]([O-])=O
BDBM76614 O=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
BDBM76615 c1cc2cccccc2c1\N=N\c1ccccc1
BDBM76658 CCSc1nsc(NC(=O)Nc2ccccc2F)n1
BDBM76659 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(c1)C(O)=O |w:13.14|
BDBM76660 Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
BDBM76704 CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1 |w:6.6|
BDBM76705 Brc1ccc(s1)C(=O)Nc1ccc(Br)cn1
BDBM76706 COc1ccc(cc1)C(=O)CNc1ccccc1Br
BDBM76781 Fc1ccc2cnc(cc2c1)-c1ccccc1F
BDBM76782 Fc1ccc2cnc(cc2c1)C1=CCCCC1 |t:13|
BDBM76783 COc1ccc(cc1)-c1cc2cc3OCOc3cc2cn1
BDBM76785 COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1
BDBM76786 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ccc(s1)[N+]([O-])=O |c:11|
BDBM76787 COc1cc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc(OC)c1OC
BDBM76788 CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1
BDBM76789 CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
BDBM76790 CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C
BDBM76791 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
BDBM76792 Clc1ccccc1C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
BDBM76793 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NNC(=O)c1ccccc1
BDBM76439 CC(=NOC(=O)c1ccccc1F)c1nccs1
BDBM76440 COn1c(nc2ccc(Cl)cc12)-c1ccccc1
BDBM76441 Cc1cc(C)nc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
BDBM76443 O=C(Nc1ccc(Oc2ccccc2)cc1)\C=C\c1ccco1
BDBM76527 COc1cccc(NC(=O)c2csc3CCCCc23)c1
BDBM76528 Oc1ccccc1C(=O)NC(=O)\C=C\c1ccc(Br)cc1
BDBM76529 COc1cccc(c1)-c1nc2ccc(cc2o1)[N+]([O-])=O
BDBM76530 Nn1c(SCc2ccccc2)nc2n(ncc2c1=O)-c1ccccc1
BDBM76616 Cc1[nH][nH]c(=O)c1N=Nc1ccc(Br)c(Cl)c1 |w:7.7|
BDBM76617 Clc1ccc(cc1)C(=O)CC=Nc1ccccc1C#N |w:11.12|
BDBM76618 CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cccc(C(O)=O)c2C)C1=O
BDBM76661 COc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
BDBM76662 Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
BDBM76663 CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
BDBM76664 Cc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
BDBM76665 COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
BDBM76707 O=C(Cc1nc2ccccc2[nH]1)c1cccs1
BDBM76708 O=C(CCCc1ccccc1)c1ccccc1
BDBM76709 Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
BDBM76784 C1Oc2cc3cnc(cc3cc2O1)-c1ccsc1
BDBM76442 [O-][N+](=O)c1ccc(CSc2nc3ccccc3o2)cc1
BDBM76444 COc1ccc2oc3ccc(OC)cc3c(=O)c2c1
BDBM76485 CCCCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
BDBM76486 Cc1c(\C=C\C(=O)c2ccccc2O)cnn1C
BDBM76487 FC(F)Sc1ccc(NC(=O)Cc2ccccc2F)cc1
BDBM76531 COc1ccc(C)cc1NC(=O)Nc1cccc(C)c1
BDBM76532 CCCCCc1ccc(nc1)-c1ccc(OC)cc1
BDBM76575 Fc1ccc(cc1)C(=O)n1n2ccccc2nc1=S
BDBM76619 OC(=O)C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1
BDBM76620 CCOc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
BDBM76621 Fc1ccccc1COc1ccc(cc1)C(=S)N1CCCC1
BDBM76710 Cc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1
BDBM76711 Cc1ccc(NC(=O)c2cccc3cccnc23)cc1
BDBM76712 Cc1csc(NC(=O)c2ccc(Br)s2)n1
BDBM76713 CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(OC)cc1 |w:6.6|
BDBM76714 Oc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12
BDBM76715 [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
BDBM76716 COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(F)cc1
BDBM76717 COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:9|
BDBM76718 COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cn1
BDBM76747 COc1ccc(cc1)C(N)=NOC(=O)C1CCCCC1 |w:10.11|
BDBM76748 Oc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
BDBM76445 CCOC(=O)c1ccccc1N=CCC(=O)c1ccccc1 |w:11.11|
BDBM76446 On1n(nc([N+]([O-])=O)\c1=N/Cc1ccccc1Cl)-c1ccc2OCCOc2c1
BDBM76488 CC(=NOC(=O)c1ccc(Br)cc1)c1ccccn1
BDBM76489 O=C(Nc1ccc(cc1)N1CCCC1)\C=C\c1ccco1
BDBM76490 COc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)N(C)C
BDBM76533 Cn1c(nc2ccccc12)C(=Cc1ccc(O)cc1)C#N |w:11.13|
BDBM76534 Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
BDBM76535 Cc1c(cccc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
BDBM76576 Cl\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
BDBM76577 Br\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
BDBM76582 CC(C)OCCC=Nc1c(Cl)c(O)c2ccccc2c1O |w:7.7|
BDBM76622 S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1
BDBM76623 COc1ccc(cc1)-n1nc2cc(N)c(Br)cc2n1
BDBM76624 COc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
BDBM76625 Cc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
BDBM76626 Cc1ccc(cc1C)C(=O)Nc1cccc2cccnc12
BDBM76627 COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
BDBM76666 Clc1cccc(NC(=O)N2CCc3ccccc3C2)c1
BDBM76667 COc1ccccc1N1CCN(CC1)\N=C\c1ccc(cc1)[N+]([O-])=O
BDBM76668 Clc1ccccc1NC(=O)Nc1cccc2cccnc12
BDBM76749 CCOc1ccccc1NC(=O)Nc1ccc2CCCc2c1
BDBM76750 Fc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
BDBM76751 COc1cccc(c1)C(=O)OCC(=O)c1ccc(Br)s1
BDBM76447 [O-][N+](=O)c1cccc(c1)N=CCC(=O)c1ccco1 |w:9.9|
BDBM76448 Brc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
BDBM76449 NC(=O)c1ccccc1NC(=O)\C=C\c1c(Cl)cccc1Cl
BDBM76491 Cc1ccc(C=NN=Cc2ccc(C)s2)s1
BDBM76492 CN(C)C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
BDBM76536 Nc1ccc(Br)c2cccnc12
BDBM76537 CCOC(=O)C(=C\c1ccc(cc1)N1CCCCC1)\C#N
BDBM76538 CCOC(=O)\C=C(/C)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
BDBM76579 Cc1cccc(c1)C(=O)n1n2ccc(C)cc2nc1=S
BDBM76580 Brc1c(nc2-c3ccccc3Cn12)-c1ccccc1
BDBM76581 Cn1cc(\C=C\C(=O)c2ccccc2)c2ccccc12
BDBM76584 CCOc1ccc(C=C2CCc3ccccc3C2=O)cc1
BDBM76585 CCOC(=O)Nc1ccc2nc(sc2c1)N1CCCCCC1
BDBM76586 [O-][N+](=O)c1ccc(\C=C2/CCc3ccccc3C2=O)cc1
BDBM76669 COc1ccc(cc1OC)C(=O)Nc1ccc2ccccc2c1
BDBM76670 CN(C)c1ccc(CN=Nc2nc(C)c(s2)C(C)=O)cc1 |w:9.9|
BDBM76671 CCOc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
BDBM76752 Cc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc12 |t:12|
BDBM76753 Cc1ccc(cc1)-c1cc(no1)-c1ccccc1
BDBM76754 Cc1nc2cc(NC(=O)c3ccc(Br)s3)ccc2s1
BDBM76755 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccccc2)c1C
BDBM76756 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18|
BDBM76757 CC1CCCN(C1)C(=O)c1ccc(o1)-c1ccccc1Cl
BDBM76450 COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1OC
BDBM76451 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |w:2.2|
BDBM76452 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
BDBM76493 CN1C(=O)\C(=N/NC(=O)c2cc(C)oc2C)c2ccccc12
BDBM76494 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ncc(cc1Cl)C(F)(F)F
BDBM76495 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc1sccc1C#N
BDBM76539 CC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1
BDBM76540 Cc1ccc(OCc2nc(no2)-c2ccccc2)cc1
BDBM76541 CCOC(=O)c1sc(Nc2ccccc2Cl)nc1C
BDBM76583 Fc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
BDBM76628 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl
BDBM76629 Brc1ccc(NN=Nc2ccccc2)cc1 |w:7.7|
BDBM76672 Brc1cccc(c1)C(=O)Nc1ccc2ncccc2c1
BDBM76673 [O-][N+](=O)c1cccc(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
BDBM76674 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1 |w:10.10|
BDBM76794 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1ccc[nH]1
BDBM76795 COc1ccc(C=CC(=O)OCC(=O)c2ccccc2F)cc1 |w:6.5|
BDBM76453 Clc1c(OC(=O)N2CCCCCC2)ccc2ccccc12
BDBM76454 COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1OC |w:7.7|
BDBM76455 COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1F
BDBM76496 COc1ccc(CN=Nc2nncc3ccccc23)c(OC)c1 |w:8.8|
BDBM76497 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccc(F)cc1
BDBM76498 O=Nc1ccc(NOC(=O)c2ccccc2)cc1
BDBM76542 Brc1ccccc1NC(=O)Nc1cccs1
BDBM76543 Brc1ccc(CN=Nc2ccccn2)cc1 |w:7.7|
BDBM76544 [O-][N+](=O)c1ccc([N-]\N=[NH+]\c2ccccc2)cc1
BDBM76545 CC(C)(C)c1ccc(NC(=O)c2ccccc2)c(c1)[N+]([O-])=O
BDBM76587 Nc1ccc(C=Cc2ccc3ncccc3c2)cc1
BDBM76630 Fc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
BDBM76631 Cc1cc(C)n2nc(cc2n1)-c1cccc(Br)c1
BDBM76632 Cc1cc(C)nc(Nc2nc(cs2)-c2ccccc2)n1
BDBM76633 COc1cc(OC)cc(c1)C(=O)Nc1ccc(Nc2ccccc2)cc1
BDBM76634 CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ccccc2c1
BDBM76675 Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
BDBM76676 Cc1ccc(C)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
BDBM76677 COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
BDBM76719 Fc1ccccc1NC(=O)Nc1nc2ccccc2[nH]1
BDBM76720 CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1
BDBM76721 Cc1ccccc1-n1c(O)cc2ccccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
BDBM76758 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N
BDBM76759 CC(=O)Nc1ccc(C(=O)COC(=O)C2CCCCC2)c(F)c1
BDBM76760 COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
BDBM76796 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
BDBM76797 COc1ccc(cc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
BDBM76798 CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
BDBM76456 CCCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
BDBM76457 Fc1ccc(cc1)C(=O)COc1ccc(Cc2ccccc2)cc1
BDBM76499 Clc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2CCCc2c1
BDBM76500 Cc1ccc(cc1)-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1N
BDBM76501 COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C
BDBM76502 Clc1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1
BDBM76546 CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1
BDBM76547 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1 |w:10.10|
BDBM76548 CCOC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1
BDBM76588 CN(C)c1ccc(cc1)\N=N\c1cccc2ccoc12
BDBM76589 COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
BDBM76590 Cc1cc(N=NCc2ccc3OCOc3c2)nc2ccccc12 |w:4.3|
BDBM76678 CC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12
BDBM76679 OC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
BDBM76680 O=c1c2ccccc2oc2ccc(cc12)-c1ccc2[nH]ccc2c1
BDBM76722 CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C
BDBM76723 O=C(c1ccccc1)c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
BDBM76724 Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccco2)c1
BDBM76761 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccc(F)cc1
BDBM76762 COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1
BDBM76763 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCCc1ccccc1
BDBM76764 COc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(OC)c1
BDBM76765 COc1ccc(C(=O)COC(=O)c2ccccc2O)c(OC)c1
BDBM76766 CCc1ccc(cc1)-c1csc(NC(=O)C2=COCCO2)n1 |t:16|
BDBM76458 COC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1
BDBM76459 Cc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1
BDBM76460 Nc1c2CCCCc2nc2sc3CCCCCc3c12
BDBM76549 Cc1ccc(O)c(c1)C1=Nc2ccccc2C1(C)C |t:9|
BDBM76550 [O-][N+](=O)c1cccc(CN=Nc2ccccn2)c1 |w:10.10|
BDBM76551 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NC(=O)NCc1ccccc1
BDBM76591 Clc1ccccc1NC(=O)Nc1ccc(Br)cc1
BDBM76592 Cc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1 |w:6.6|
BDBM76593 Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1 |w:13.14|
BDBM76594 OC(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
BDBM76595 CC(C)NC(=O)c1ccc2c3OCc4cc(Cl)ccc4-n3nc2c1
BDBM76596 NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
BDBM76597 Cc1cc(O)c(cc1C)-c1cc([nH]n1)C(=O)Nc1cccnc1
BDBM76635 Oc1ccc(Cl)cc1N=Nc1ccccc1 |w:9.10|
BDBM76636 COc1ccc(C=NN2CCN(CC2)c2ccccc2OC)cc1Br
BDBM76637 OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=O)N(CC#C)C2=O)o1
BDBM76681 COc1ccc(cc1)C(=O)ON=C(N)c1ccc(OC)c(OC)c1 |w:11.11|
BDBM76682 Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
BDBM76683 Cc1cccc(c1)-c1cc2nc(cc(=O)n2[nH]1)-c1ccccc1
BDBM76725 Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc2OCOc2c1
BDBM76726 Cc1ccc(cc1)S(=O)(=O)NC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1 |w:12.13|
BDBM76727 Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc1cccc(c1)C(O)=O
BDBM79438 COc1cccc(NC(=O)c2ccnc(c2)N2CCC(CC2)C(=O)NCc2cc(OC)ccc2OC)c1
BDBM79434 COc1ccc(cc1)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1
BDBM79435 CCOC(=O)C(C=Nc1cc(OC)ccc1OC)C#N |w:7.7|
BDBM79436 COC(=O)c1[nH]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 |(13.99,-5.79,;13.51,-4.33,;12.01,-4.01,;10.98,-5.15,;11.53,-2.54,;12.43,-1.3,;11.53,-.07,;12.01,1.4,;10.98,2.54,;11.46,4.01,;12.96,4.33,;13.44,5.79,;13.99,3.18,;13.51,1.72,;10.07,-.53,;8.61,-.06,;8.13,1.41,;7.7,-1.3,;6.16,-1.3,;5.39,-2.64,;3.85,-2.64,;3.08,-1.3,;3.85,.03,;5.39,.03,;6.16,1.36,;5.39,2.7,;8.61,-2.55,;8.13,-4.02,;10.07,-2.07,)|
BDBM79437 CCOc1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1 |(3.08,-8.82,;3.08,-7.28,;4.41,-6.51,;4.41,-4.97,;3.08,-4.2,;3.08,-2.66,;4.41,-1.89,;4.41,-.35,;5.75,.42,;5.75,1.96,;7.08,2.73,;8.41,1.96,;7.08,4.27,;5.75,5.04,;4.41,4.27,;4.41,2.73,;3.08,1.96,;6.52,6.38,;5.89,7.79,;7.04,8.82,;8.37,8.05,;8.05,6.54,;5.75,-2.66,;5.75,-4.2,)|
BDBM79428 Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1
BDBM79429 COc1ccc(cc1OC)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1
BDBM79430 COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC
BDBM79431 COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1
BDBM79432 Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl |w:5.4,(3.08,-1.1,;4.54,-.62,;5.02,.84,;4.12,2.09,;6.56,.84,;7.47,2.09,;6.84,3.49,;7.74,4.74,;7.12,6.15,;7.04,-.62,;8.5,-1.1,;5.79,-1.53,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;5.79,-6.15,;4.46,-5.38,;3.12,-6.15,;4.46,-3.84,;3.12,-3.07,)|
BDBM79433 [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C2CCC(CC2)C(=O)Nc2ccc(Cc3ccncc3)cc2)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:7:8:9.10:2.3,36:9:8.6:2.3,(8.4,5.42,;7.69,4.79,;7.12,6.87,;5.78,6.1,;7.29,3.3,;7.93,4.01,;4.62,1.76,;3.08,1.76,;3.85,3.1,;10.11,2.14,;10.51,3.62,;12.04,3.7,;12.88,4.99,;12.58,2.27,;14.07,1.87,;14.47,.38,;15.96,-.01,;17.05,1.07,;16.65,2.56,;15.16,2.96,;18.53,.68,;19.62,1.76,;18.93,-.81,;20.42,-1.21,;21.51,-.12,;23,-.52,;23.4,-2.01,;24.88,-2.41,;25.28,-3.89,;26.77,-4.29,;27.17,-5.78,;26.08,-6.87,;24.59,-6.47,;24.19,-4.98,;22.31,-3.1,;20.82,-2.7,;11.4,1.31,;11.48,-.23,)|
BDBM85511 OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
BDBM83904 CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
BDBM83920 O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
BDBM87685 COc1ccc-2c(Cc3sc(NC(C)=O)nc-23)c1
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM93649 COc1ccc(OC)c(c1)S(=O)(=O)N(C)CC(=O)N1CCc2ccccc2C1
BDBM93586 CCOCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM93690 O=C(Cc1ccccc1)c1nc2ccccc2s1
BDBM93691 CC(=O)N1N=C(OC1c1ccc(s1)[N+]([O-])=O)c1ccccc1 |c:4|
BDBM93652 CCC(CO)Oc1cc(NCc2cccc(C)c2)c2ncn(C(C)C)c2c1
BDBM93699 CC(NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)c1ccccc1
BDBM93593 Cc1[nH]n(-c2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1
BDBM93554 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(=O)Nc1ccc(OC)cc1 |c:4|
BDBM93628 COc1ccc(\C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
BDBM93666 COc1ccc(Cc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1
BDBM93630 COC(=O)c1ccc(C)cc1C1CN=NC11Cc2cc(C)ccc2C1=O |c:14|
BDBM93675 COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
BDBM93563 COc1ccc(\C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1
BDBM93603 O=C(NC1CCCCC1)C(N1CCc2ccccc2C1)c1ccnc2ccccc12
BDBM93606 N#CC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc12
BDBM93678 O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM93683 CCN(CC)c1ccc(NC2CC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1
BDBM93684 COc1ccc(NC(=O)NNc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
BDBM93685 NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)cc1
BDBM93686 O=C1N(Cc2ccccc2)C(=O)c2ccccc2C1=CNCCc1ccccc1 |w:19.22|
BDBM93547 CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1
BDBM93612 O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCc2ccccc2C1
BDBM93616 CCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
BDBM93620 COc1cc(NCCCCCCN)c2ncccc2c1OC
BDBM93644 COc1cccc(c1)-c1cc(no1)C(=O)N1CCc2ccccc2C1
BDBM93576 COc1ccc-2c(Cc3sc(NC(=O)c4cccnc4)nc-23)c1
BDBM93577 Cc1ccc(cc1C(=O)OCC(=O)N1CCc2ccccc2C1)S(=O)(=O)N1CCOCC1
BDBM93580 Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(=O)N\N=C\c1ccc(Cl)cc1
BDBM93582 Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)|
BDBM93646 [O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)NCc1ccc(F)cc1
BDBM50072047 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50004308 C(N1CCNCC1)c1ccccc1
BDBM50009859 CC(C)Cc1ccc(cc1)C(C)C(O)=O
BDBM50022271 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
BDBM50031034 Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM50070499 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H](CC=O)CC(O)=O
BDBM50072041 C[C@H](N1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072042 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072043 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072044 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072045 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072046 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072048 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
BDBM50072049 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
BDBM50072050 C[C@H](N1CC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50072051 OC1OC(=O)C[C@@H]1NC(=O)CN1CC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072052 OC1OC(=O)C[C@@H]1NC(=O)CN1CCC[C@H](NC(=O)OCc2ccccc2)C1=O
BDBM50072054 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O
BDBM50071058 C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
BDBM50091987 COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
BDBM50099763 O=C1C=C(Nc2ccccc2)c2ccccc2C1=O |t:2|
BDBM160769 CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160770 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160792 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160794 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160804 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r,w:7.7|
BDBM160808 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160819 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160824 CS(=O)(=O)\C=C\[C@@H](N)CC(O)=O |r|
BDBM160832 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O |r|
BDBM160841 CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160849 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160781 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160784 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O |r|
BDBM160783 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
BDBM160786 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160798 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 |r|
BDBM160796 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160799 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1 |r|
BDBM160813 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160750 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(O)=O |r|
BDBM160788 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160790 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM160802 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160801 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C |r|
BDBM160803 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r,w:7.7|
BDBM160816 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160827 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM160766 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(C)(=O)=O |r|
BDBM50116264 CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nnc(o1)-c1ccccc1
BDBM50116265 CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2s1
BDBM50116267 CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)C(=O)OC
BDBM50116260 CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@H](C=O)C(O)=O
BDBM50119203 CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119204 CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119205 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2cc(Br)ccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119206 CC(C)C[C@H](NC(=O)COc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119207 CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119208 CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119209 CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119210 CC(C)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119211 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O
BDBM50119212 CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119213 CC(C)C[C@H](NC(=O)COc1ccc2CCCCc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119214 COc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(=O)OC2O)c2ccccc12
BDBM50119215 CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119216 CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119217 CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119218 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119219 CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119220 CC(C)C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119221 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:23:22:25:17.18.19,THB:21:22:17:25.20.19|
BDBM50119222 CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20|
BDBM50119223 CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119224 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119225 CC(C)C[C@H](NC(=O)COc1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119226 CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119227 CC(C)C[C@H](NC(=O)COc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119228 CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119229 CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119230 CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119231 CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119232 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119233 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119234 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119235 CC(C)C[C@H](NC(=O)COc1cccc(c1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119236 CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119237 CC(C)C[C@H](NC(=O)CCOc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119238 CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119239 CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119240 CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119241 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O
BDBM50119242 CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119243 CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119244 CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119245 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119246 CC(C)C[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119247 CC(C)C[C@H](NC(=O)COc1cccc2CCCCc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119248 CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119249 CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119250 CC(C)C[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119251 CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119252 CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119253 CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119254 CC(C)C(NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119255 CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119256 CC(C)C(NC(=O)COc1ccc2ccccc2c1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119257 CC(C)C(NC(=O)COc1cc2ccccc2cc1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119258 CC(C)C(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119259 CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119260 CC(C)C(NC(=O)COc1cccc2c(NS(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119261 CC(C)CC(NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119262 CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119263 CC(C)C(NC(=O)COc1cc2ccccc2cc1NS(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119264 CC(C)CC(NC(=O)[C@@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119265 CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119266 CC(C)C(NC(=O)COc1c(ccc2ccccc12)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
BDBM50119267 CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
BDBM50125096 C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50133876 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12
BDBM50133879 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc(cc1)-c1ccccc1
BDBM50133889 CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc2ccccc2c1
BDBM50140543 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140544 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140546 C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140548 COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
BDBM50140549 OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF
BDBM50140550 OC(=O)CC(NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF
BDBM50140551 OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)CF
BDBM50140552 CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140553 CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140554 CC(C)C(C)(NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140555 OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140556 OC(=O)CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)CF
BDBM50140557 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50140558 OC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF
BDBM50145622 CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50145661 CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50145670 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
BDBM50149205 OC(=O)[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O
BDBM50149213 CNS(=O)(=O)c1ccc(O)c(c1)C(O)=O
BDBM50149217 OC(=O)[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
BDBM50153664 CC(C)[C@H](NC(=O)OCCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153665 CC(C)[C@H](NC(=O)OCc1ccccc1F)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153666 CC(C)[C@H](NC(=O)OCc1cc(Cl)ccc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153667 CC(C)[C@H](NC(=O)OCc1ccc(F)cc1F)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153668 CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153669 CC(C)COC(=O)N[C@@H](C(C)C)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153670 CC(C)[C@H](NC(=O)OCC1CCCC1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153671 CC(C)[C@H](NC(=O)OCc1ccccc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153672 CC(C)[C@H](NC(=O)OCCCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153673 CC(C)[C@H](NC(=O)OCc1ccc(F)cc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153674 CC(C)[C@H](NC(=O)OCc1cccc(F)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153675 CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153676 CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153677 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153678 CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153679 CC(C)[C@H](NC(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153680 CC(C)[C@H](NC(=O)OCc1ccc(F)c(F)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153681 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153685 CC(C)[C@H](NC(=O)CCC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153682 CCC(=O)N[C@@H](C(C)C)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153683 COC(=O)N[C@@H](C(C)C)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50153684 CC(C)[C@H](NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50157539 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
BDBM50161452 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161453 CC(C)[C@H](OC(=O)NCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161454 CC(C)[C@H](OC(=O)Nc1ccc(F)c(F)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161455 CC(C)[C@H](OC(=O)Nc1ccc(F)cc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161456 CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161457 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
BDBM50161458 CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161459 OC(=O)CC(NC(=O)[C@@H](OC(=O)Nc1ccccc1)C1CCCCC1)C(=O)CF
BDBM50161460 CC(C)[C@H](OC(=O)Nc1cccc(F)c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161461 CC(C)[C@H](OC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161462 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)COc1cc(nn1-c1ccccc1)C(F)(F)F
BDBM50161463 C[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161464 C[C@H](OC(=O)NCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50161465 CC(C)[C@H](OC(=O)Nc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50160981 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160982 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O
BDBM50160983 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O
BDBM50160984 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O
BDBM50160985 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O |THB:15:16:18.19:21.22|
BDBM50160986 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O
BDBM50160987 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160943 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160944 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160945 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O
BDBM50160946 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160947 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160948 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
BDBM50160949 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O
BDBM50160950 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160951 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160952 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160953 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O
BDBM50160954 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160955 CCC(C(=O)N[C@@H](CC(O)=O)C(C)=O)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160956 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160957 CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160958 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O
BDBM50160959 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)C
BDBM50160960 CC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(O)=O)NC(C)=O)c1=O
BDBM50160961 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)S(C)(=O)=O
BDBM50160962 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O
BDBM50160963 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O
BDBM50160964 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160965 CCC(C(=O)N[C@@H](CC(O)=O)C=O)n1ccnc(NCc2nonc2C)c1=O
BDBM50160966 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O
BDBM50160967 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O
BDBM50160968 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O
BDBM50160969 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(CC)CC
BDBM50160970 CCCCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160971 CCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160972 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O
BDBM50160973 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O
BDBM50160974 CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160975 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O
BDBM50160976 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160977 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O
BDBM50160978 CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50160979 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCOCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160980 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(o2)-c2ccccc2)c1=O
BDBM50160988 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O
BDBM50160989 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C
BDBM50160990 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O
BDBM50160991 CCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O
BDBM50171148 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12
BDBM50171149 CC(C)(C)c1cc2nc3CC[C@@H](C(=O)N[C@H]4CC(=O)OC4O)n3c(O)c2n1
BDBM50171407 CN(C)c1ccc(cc1)-c1noc(n1)-c1sccc1Cl
BDBM50171125 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)c1cccc(F)c1
BDBM50171126 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)c1ccccc1
BDBM50171127 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1
BDBM50171128 COc1cccc(c1)C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1
BDBM50171129 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCNCC1
BDBM50171130 COc1ccccc1C(=O)N1CCCN(CC(=O)N[C@H]2CC(=O)OC2O)C(=O)[C@H](C1)NC(=O)c1ccc2ccccc2c1
BDBM50171408 Clc1ccoc1-c1nc(no1)-c1ccc(Cl)cc1
BDBM50171409 Clc1ccsc1-c1nc(no1)-c1ccccc1
BDBM50171410 Cc1ccc(cc1)-c1noc(n1)-c1sccc1Cl
BDBM50171411 FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1occc1Cl
BDBM50171412 FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1sccc1Cl
BDBM50171413 Clc1ccc(nc1)-c1noc(n1)-c1occc1Br
BDBM50171414 Clc1ccsc1-c1nc(no1)-c1ccc(Cl)cn1
BDBM50171415 FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1occc1Br
BDBM50171416 [O-][N+](=O)c1ccc(cc1)-c1noc(n1)-c1occc1Cl
BDBM50171417 FC(F)(F)c1cccc(c1)-c1noc(n1)-c1sccc1Cl
BDBM50171418 Clc1ccc(cc1)-c1noc(n1)-c1cccs1
BDBM50171419 COc1ccc(cc1)-c1noc(n1)-c1sccc1Cl
BDBM50171420 Cc1csc(c1Cl)-c1nc(no1)-c1ccc(Cl)cc1
BDBM50171421 Clc1ccc(cc1)-c1noc(n1)-c1ccco1
BDBM50171422 Clc1ccsc1-c1nc(no1)-c1ccc(Cl)c(Cl)c1
BDBM50171423 Clc1ccc(cc1)-c1noc(n1)-c1sccc1Br
BDBM50171424 Clc1ccc(cc1)-c1noc(n1)-c1occc1Br
BDBM50171425 FC(F)(F)Oc1ccc(cc1)-c1noc(n1)-c1sccc1Cl
BDBM50171427 FC(F)(F)c1ccc(cn1)-c1noc(n1)-c1sccc1Cl
BDBM50171426 Clc1ccc(cc1)-c1noc(n1)-c1ccccc1Cl
BDBM50171428 Cc1ccc(cc1)-c1noc(n1)-c1cccs1
BDBM50171429 FC(F)(F)c1ccc(nc1)-c1noc(n1)-c1occc1Br
BDBM50171134 OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2nccc3ccccc23)C1=O)C(=O)c1ccccc1
BDBM50171144 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1cccc(Cl)c1
BDBM50171430 Clc1ccsc1-c1nc(no1)-c1ccc(Cl)cc1
BDBM50171431 CCOc1ccsc1-c1nc(no1)-c1ccc(Cl)cc1
BDBM50171145 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccccc1Cl
BDBM50171432 Clc1ccsc1-c1nc(no1)-c1ccc(Cl)nc1
BDBM50171433 FC(F)(F)c1ccc(nc1)-c1noc(n1)-c1sccc1Cl
BDBM50171434 FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1ccccc1Cl
BDBM50171437 FC(F)(F)c1cc(ccc1Cl)-c1noc(n1)-c1sccc1Cl
BDBM50171146 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccc(Cl)cc1
BDBM50171435 Cc1cc(Cl)ccc1-c1noc(n1)-c1sccc1Cl
BDBM50171436 Clc1ccoc1-c1nc(no1)-c1ccc(Cl)cn1
BDBM50171147 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3cc(nc3c(O)n12)-c1ccccc1
BDBM50175323 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175324 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12 |c:17|
BDBM50175325 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ccccc1
BDBM50175326 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175327 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12
BDBM50175328 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175329 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12
BDBM50175330 CN1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175334 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(Cl)c3)C(=O)N12 |c:17|
BDBM50175335 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12
BDBM50175336 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cccc(c3)C(F)(F)F)C(=O)N12 |c:17|
BDBM50175337 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C(=O)OCc1ccccc1 |c:17|
BDBM50175338 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12
BDBM50175339 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175340 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12
BDBM50175341 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1
BDBM50175342 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 |c:17|
BDBM50175343 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)N12 |c:17|
BDBM50175344 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12 |c:17|
BDBM50175345 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175346 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175347 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175348 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1
BDBM50175349 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3C(F)(F)F)C(=O)N12 |c:17|
BDBM50175350 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N12 |c:17|
BDBM50175351 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12
BDBM50175331 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3Cl)C(=O)N12 |c:17|
BDBM50175332 CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50175333 OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17|
BDBM50181684 CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
BDBM50187578 O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1
BDBM50189358 Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189359 Cc1cccc(C)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189360 CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12
BDBM50189361 Cc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189362 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189363 Cc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189364 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189365 OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189366 COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189367 Cc1ccccc1C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189368 COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189369 COc1cccc(c1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189370 OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189371 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189372 COc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189373 OC1OC(=O)C[C@@H]1NC(=O)C1(CC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189374 OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM50189375 OC1OC(=O)C[C@@H]1NC(=O)C1(CCCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189376 OC1OC(=O)C[C@@H]1NC(=O)C1(CCC1)C(=O)NNC(=O)c1cccc2ccccc12
BDBM50189377 Cc1cccc(c1)C(=O)NNC(=O)C1(CCCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189378 Cc1ccc(cc1)C(=O)NNC(=O)C1(CCC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50189379 COc1cccc(c1)C(=O)NNC(=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O
BDBM50191899 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C1=O
BDBM50191901 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
BDBM50191902 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O
BDBM50191904 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccccc2)C1=O
BDBM50191905 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2nccc3ccccc23)C1=O
BDBM50191906 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O
BDBM50191907 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O
BDBM50191908 OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O
BDBM50191909 OC1OC(=O)C[C@@H]1NC(=O)CN1CCSC[C@H](NC(=O)c2cc3ccccc3s2)C1=O
BDBM50192784 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50199760 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(Cl)c2)C1=O |w:1.0,c:14|
BDBM50199761 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:14|
BDBM50199762 COc1cccc(c1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199763 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25|
BDBM50199764 CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1|
BDBM50199765 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:14|
BDBM50199766 C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4|
BDBM50199767 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14|
BDBM50199748 COc1cccc(c1)C(=O)N[C@H]1CC=CCN(CC(=O)N[C@H]2CC(=O)OC2O)C1=O |w:26.28,c:14|
BDBM50199749 COc1ccc(cc1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199750 COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13|
BDBM50199751 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |w:1.0,c:14|
BDBM50199752 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccccc2)C1=O |w:1.0,c:14|
BDBM50199753 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24|
BDBM50199754 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24|
BDBM50199756 OCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:31.34,t:2|
BDBM50199757 C[C@@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4|
BDBM50199758 OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1=O |w:1.0,c:14|
BDBM50199759 OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26|
BDBM50200302 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r|
BDBM50200303 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OC)cc3)C(=O)C(=O)c2c1
BDBM50200304 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200305 Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50200306 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(I)cc3)C(=O)C(=O)c2c1
BDBM50200307 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O)cc3)C(=O)C(=O)c2c1
BDBM50200308 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C(=O)c2c1
BDBM50200309 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCF)cc3)C(=O)C(=O)c2c1
BDBM50200310 Cc1ccc(cc1)S(=O)(=O)OCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200311 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCBr)cc3)C(=O)C(=O)c2c1
BDBM50200312 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCOS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)C(=O)c2c1
BDBM50200313 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1
BDBM50200314 CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200315 BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50200931 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C(=N)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50200932 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50200933 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50200934 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50200935 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
BDBM50203361 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1|
BDBM50203362 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NC(CC(C)C)C(O)=O)c1=O)C(C)(C)C |w:2.1,28.28|
BDBM50203363 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2cc(OC)cc(OC)c2)c1=O)C(C)(C)C |w:2.1|
BDBM50203364 CCCCCC[NH+](C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:19.19,6.6|
BDBM50203365 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2ccc3OCCOc3c2)c1=O)C(C)(C)C |w:2.1|
BDBM50203366 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCCc2cccs2)c1=O)C(C)(C)C |w:2.1|
BDBM50216414 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
BDBM50216415 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1cccnc1
BDBM50216416 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1
BDBM50216417 [#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216418 Brc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216419 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1
BDBM50216420 [#6]-[#7]-1-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2cc(ccc-12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1
BDBM50216421 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1
BDBM50216422 [#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
BDBM50216423 O=[#6]1-[#7]-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1
BDBM50216424 Brc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1
BDBM50223100 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF |w:27.28|
BDBM50223101 OC(=O)CC(NC(=O)c1cc(F)ccc1NC(=O)OCc1ccccc1)C(=O)CF
BDBM50223102 Cc1ccc(NC(=O)OCc2ccccc2)c(c1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50223103 COc1cccc(C(=O)NC(CC(O)=O)C(=O)CF)c1NC(=O)OCc1ccccc1 |w:10.9|
BDBM50223104 OC(=O)CN(C(=O)CF)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1
BDBM50223105 OC(=O)CC(NC(=O)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1)C(=O)CF |w:4.4|
BDBM50223106 OC(=O)CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc1ccccc1
BDBM50223107 OC(=O)CC(NC(=O)c1cc(Cl)ccc1NC(=O)OCc1ccccc1)C(=O)CF
BDBM50223108 OC(=O)CC(NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(=O)CF
BDBM50223109 Cc1cccc(NC(=O)OCc2ccccc2)c1C(=O)NC(CC(O)=O)C(=O)CF
BDBM50223110 OC(=O)CC(NC(=O)c1sccc1NC(=O)OCc1ccccc1)C(=O)CF |w:4.4|
BDBM50223111 OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(CC(O)=O)C(=O)CF |w:29.30|
BDBM50223112 OC(=O)CC(NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF |w:4.4|
BDBM50223113 OC(=O)CC(NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF
BDBM50223114 Cc1cc(C)c(NC(=O)OCc2ccccc2)c(c1)C(=O)NC(CC(O)=O)C(=O)CF |w:22.23|
BDBM50223115 OC(=O)CC(NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF |w:4.4|
BDBM50223116 Cc1cccc(C(=O)NC(CC(O)=O)C(=O)CF)c1NC(=O)OCc1ccccc1
BDBM50223117 OC(=O)CC(NC(=O)c1c(Cl)cccc1NC(=O)OCc1ccccc1)C(=O)CF
BDBM50240374 OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
BDBM50233673 CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
BDBM50258378 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258379 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258380 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CO)C(=O)C(=O)c2c1 |r|
BDBM50258381 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC4CO4)cc3)C(=O)C(=O)c2c1 |r|
BDBM50256814 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCC(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50257479 CCCN1CC(F)(F)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50257480 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)CC(F)(F)c2c1 |r|
BDBM50257481 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCO)C(=O)C(=O)c2c1 |r|
BDBM50257482 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 |r|
BDBM50257247 CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50257248 CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50257249 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50257250 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCl)C(=O)C(=O)c2c1 |r|
BDBM50256867 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 |r|
BDBM50257353 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 |r|
BDBM50257354 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)C(=O)C(=O)c2c1 |r|
BDBM50257355 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50257356 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(C)F)C(=O)C(=O)c2c1 |r|
BDBM50257357 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)=C)C(=O)C(=O)c2c1 |r|
BDBM50257419 [#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1S(=O)(=O)c1ccc2-[#7](-[#6]-[#6]\[#6](F)=[#6](/F)F)-[#6](=O)-[#6](=O)-c2c1 |r|
BDBM50257420 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(F)cc3)C(=O)C(=O)c2c1 |r|
BDBM50257421 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50257422 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50256797 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r|
BDBM50256798 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCF)C(=O)C(=O)c2c1 |r|
BDBM50256799 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(O)CCl)C(=O)C(=O)c2c1 |r|
BDBM50256800 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50257295 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCO)C(=O)C(=O)c2c1 |r|
BDBM50257296 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r|
BDBM50257297 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)=O)C(=O)C(=O)c2c1 |r|
BDBM50257298 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 |r|
BDBM50257299 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258666 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)(F)CBr)C(=O)C(=O)c2c1 |r|
BDBM50258667 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC=C)C(=O)C(=O)c2c1 |r|
BDBM50258668 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC=C)C(=O)C(=O)c2c1 |r|
BDBM50258669 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC=C)C(=O)C(=O)c2c1 |r|
BDBM50258694 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(C=C)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258695 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CBr)C(=O)C(=O)c2c1 |r|
BDBM50258696 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC=C)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258697 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H]3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258698 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC(O)CF)cc3)C(=O)C(=O)c2c1 |r|
BDBM50258699 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CO)C(=O)C(=O)c2c1 |r|
BDBM50258700 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CO)C(=O)C(=O)c2c1 |r|
BDBM50258335 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CF)C(=O)C(=O)c2c1 |r|
BDBM50258336 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC3CO3)C(=O)C(=O)c2c1 |r|
BDBM50258337 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CF)C(=O)C(=O)c2c1 |r|
BDBM50253797 CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
BDBM50270346 CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12
BDBM50293723 Clc1ccc(NC(=O)c2ccco2)cc1Cl
BDBM50273989 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cc(F)cc(F)c2)cc1 |r|
BDBM50273990 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC2CCOCC2)cc1 |r|
BDBM50273991 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccncn2)cc1 |r|
BDBM50273992 Fc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(CC#C)C(=O)C(=O)c3c2)c(F)c1 |r|
BDBM50273926 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1
BDBM50273927 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 |r|
BDBM50273928 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1 |r|
BDBM50273929 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50273337 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 |r|
BDBM50273338 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 |r|
BDBM50273339 FCCn1cc(COC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccc(F)cc4)C(=O)C(=O)c3c2)nn1 |r|
BDBM50297258 CN(CC1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)c1ccccc1
BDBM50305859 Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
BDBM50302107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
BDBM50326016 Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
BDBM50326058 COc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12
BDBM50326093 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 |r,w:25.26|
BDBM50326094 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:24.25|
BDBM50326095 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:25.26|
BDBM50326096 CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
BDBM50326097 CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:31.34|
BDBM50326098 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:17.18|
BDBM50326099 CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCc1ccccc1 |r,w:4.3|
BDBM50326100 OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C=CS(=O)(=O)c1ccccc1 |r,w:24.27|
BDBM50326101 CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 |r,w:4.3|
BDBM50326102 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 |r,w:22.23|
BDBM50326103 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 |r,w:24.25|
BDBM50326104 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:22.23|
BDBM50339185 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
BDBM50338486 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338487 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338488 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccc(cc3)[N+]([O-])=O)C(=O)C(=O)c2c1 |r|
BDBM50338489 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50338490 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccc(OC)cc3)C(=O)C(=O)c2c1 |r|
BDBM50338491 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(nn3)-c3ccc4OCCOc4c3)C(=O)C(=O)c2c1 |r|
BDBM50338492 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cn(Cc4ccccc4)nn3)C(=O)C(=O)c2c1 |r|
BDBM50338493 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCc3cn(nn3)-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338494 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338495 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338496 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccc(cc3)[N+]([O-])=O)C(=O)C(=O)c2c1 |r|
BDBM50338497 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 |r|
BDBM50338498 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccc(OC)cc3)C(=O)C(=O)c2c1 |r|
BDBM50338499 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3-c3ccc4OCCOc4c3)C(=O)C(=O)c2c1 |r|
BDBM50338500 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cnnn3Cc3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50338501 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCc3cnnn3-c3ccccc3)C(=O)C(=O)c2c1 |r|
BDBM50334341 CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM50340526 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340527 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340528 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340529 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340530 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340531 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340532 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
BDBM50340536 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340537 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340538 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340539 F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340540 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r|
BDBM50340541 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)nn1 |r|
BDBM50340542 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 |r|
BDBM50340543 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)nn1 |r|
BDBM50340544 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50340545 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r|
BDBM50340546 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r|
BDBM50340533 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
BDBM50340534 F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50340535 F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r|
BDBM50346373 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCl |r|
BDBM50355089 CC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50355090 CCC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50355091 CC(C)CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50355092 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](OC2CCCC2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355093 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](Oc2ncccn2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355094 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355095 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccccc1 |r|
BDBM50355096 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccc(C)cc1 |r|
BDBM50355097 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)C1CCCCC1 |r|
BDBM50355098 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355099 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355100 CC(C)O[C@H]1CCCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50355101 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355102 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(C)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355103 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(C)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355104 COc1cc2CCN(C(C(=O)N[C@H]3CC(=O)OC3O)c2cc1OC)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50355105 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(O)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355106 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(O)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355107 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Br)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355108 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Br)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355109 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355110 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355111 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50355112 CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r|
BDBM50366933 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)CF
BDBM50366934 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
BDBM50379299 CC(C)[C@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3[C@H](COC3=O)[C@@]12C |r,c:19|
BDBM50379300 CC(C)[C@H](NC(C)=O)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@]3(O)[C@@]12C |r,t:19|
BDBM50386076 CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C1)c1ccccc1 |c:5|
BDBM50386077 CCOC(=O)C1=C(Nc2ccc(cc2)[N+]([O-])=O)C(=O)N(C1c1ccccc1)C1CCCCC1 |c:5|
BDBM50386078 COC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccccc1 |c:4|
BDBM50386079 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccccc1 |c:5|
BDBM50386080 COC(=O)C1=C(NCc2ccccc2)C(=O)N(C1)c1ccccc1 |c:4|
BDBM50386081 CCOC(=O)C1=C(NCc2ccccc2)C(=O)N(C1)c1ccccc1 |c:5|
BDBM50386083 CCOC(=O)C1=C(NCc2ccccc2)C(=O)N(Cc2ccccc2)C1 |c:5|
BDBM50386084 CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(C1)c1ccc(C)cc1 |c:5|
BDBM50386085 CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(C1)c1ccc(F)cc1 |c:5|
BDBM50386086 CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(C1)c1ccc(Br)cc1 |c:5|
BDBM50386087 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)C1CCCCC1 |c:5|
BDBM50386088 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(C)cc1 |c:5|
BDBM50386089 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(C)c(C)c1 |c:5|
BDBM50386090 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(OC)cc1 |c:5|
BDBM50386091 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1cccc2ccccc12 |c:5|
BDBM50386092 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1cccc(Cl)c1 |c:5|
BDBM50386093 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(Cl)cc1 |c:5|
BDBM50386094 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(Cl)c(Cl)c1 |c:5|
BDBM50386095 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(Br)cc1 |c:5|
BDBM50386096 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c1ccc(cc1)[N+]([O-])=O |c:5|
BDBM50386097 COC(=O)C1=C(Nc2ccccc2)C(=O)N(C1c1ccccc1)C1CCCCC1 |c:4|
BDBM50386098 CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C1c1ccccc1)C1CCCCC1 |c:5|
BDBM50386099 CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(C1c1ccccc1)C1CCCCC1 |c:5|
BDBM50386100 CCOC(=O)C1=C(Nc2cccc3ccccc23)C(=O)N(C1c1ccccc1)C1CCCCC1 |c:5|
BDBM50386101 CCCN1C(C(C(=O)OCC)=C(Nc2ccc(Br)cc2)C1=O)c1ccccc1 |t:10|
BDBM50386102 CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(C1c1ccccc1)c1ccc(C)cc1 |c:5|
BDBM50386082 CCCNC1=C(CN(C1=O)c1ccccc1)C(=O)OC |t:4|
BDBM10365 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2SC(N)=N)S(=O)(=O)N1CCOCC1
BDBM50426562 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42|
BDBM50426563 CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:39.41|
BDBM50426564 CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM50426565 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51|
BDBM50426566 CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C |r|
BDBM50431504 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF |r|
BDBM50431505 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF |r|
BDBM50431506 FCCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431507 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50431508 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC |r|
BDBM50431509 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431510 COCCCC1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1
BDBM50431511 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1CCCOC
BDBM50431512 COCCCC1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
BDBM50431513 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50431514 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1CCOC |r|
BDBM50431515 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50431516 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F |r|
BDBM50431517 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F |r|
BDBM50431518 FC(F)(F)COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50420455 NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1
BDBM50420473 Cc1cnn(c1)C(=O)c1ccc(Br)s1
BDBM50420474 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
BDBM50420456 Brc1ccc(NC(=O)C=C)cc1
BDBM50434073 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](F)CO)C(=O)C(=O)c2c1 |r|
BDBM50434074 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](O)CF)C(=O)C(=O)c2c1 |r|
BDBM50434075 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](O)CO)C(=O)C(=O)c2c1 |r|
BDBM50434076 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](F)CO)C(=O)C(=O)c2c1 |r|
BDBM50434077 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](O)CF)C(=O)C(=O)c2c1 |r|
BDBM50434078 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](O)CO)C(=O)C(=O)c2c1 |r|
BDBM50435401 COc1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435402 [O-][N+](=O)c1ccccc1NC(=O)n1sc2ccccc2c1=O
BDBM50435405 COc1ccccc1NC(=O)n1sc2ccccc2c1=O
BDBM50435407 COc1cccc(NC(=O)n2sc3ccccc3c2=O)c1
BDBM50435410 Fc1cccc(CNC(=O)n2sc3ccccc3c2=O)c1
BDBM50435411 Fc1ccccc1CNC(=O)n1sc2ccccc2c1=O
BDBM50435412 Fc1ccc(CNC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435965 COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50435966 COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50435967 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1[C@@H](COC)CC[C@H]1COC |r|
BDBM50435968 COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50435969 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC(F)(F)C[C@H]1COC |r|
BDBM50435970 COC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50435971 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](F)C[C@H]1COC |r|
BDBM50435972 COC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50435973 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](F)C[C@H]1COC |r|
BDBM50435974 COC[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
BDBM50435975 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)C(F)(F)F |r|
BDBM50435976 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)C(F)(F)F |r|
BDBM50435977 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)C(F)(F)F |r|
BDBM50435978 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](C[C@H]1COC)C(F)(F)F |r|
BDBM50435979 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)C(F)(F)F |r|
BDBM50435980 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)OCCOCCOCCOCCO |r|
BDBM50435981 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OCCOCCOCCOCCO |r|
BDBM50435982 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OCCOCCOCCOCCO |r|
BDBM50435983 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)OC |r|
BDBM50435984 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)OC |r|
BDBM50435985 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OC |r|
BDBM50435986 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)OC |r|
BDBM50435987 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](C[C@H]1COC)OC |r|
BDBM50435988 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OC |r|
BDBM50435989 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)C(F)(F)F |r|
BDBM50435413 COc1ccccc1CNC(=O)n1sc2ccccc2c1=O
BDBM50435414 CC(NC(=O)n1sc2ccccc2c1=O)c1ccccc1
BDBM50435415 COc1cccc(CNC(=O)n2sc3ccccc3c2=O)c1
BDBM50435416 COc1ccc(CNC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435417 O=C(NCCc1ccccc1)n1sc2ccccc2c1=O
BDBM50435395 FC(F)(F)c1cc(NC(=O)n2sc3ccccc3c2=O)ccc1Cl
BDBM50435963 COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
BDBM50435964 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1[C@H](COC)CC[C@H]1COC |r|
BDBM50435392 Ic1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435393 CCn1sc2ccccc2c1=O
BDBM50435394 C=CCn1sc2ccccc2c1=O
BDBM50435396 O=c1n(CCc2ccccc2)sc2ccccc12
BDBM50435397 Fc1ccccc1NC(=O)n1sc2ccccc2c1=O
BDBM50435398 Fc1ccc(Cn2sc3ccccc3c2=O)cc1
BDBM50435399 COc1ccc(Cn2sc3ccccc3c2=O)cc1
BDBM50435400 O=c1n(Cc2ccccc2)sc2ccccc12
BDBM50435403 Brc1cccc(NC(=O)n2sc3ccccc3c2=O)c1
BDBM50435404 Brc1ccccc1NC(=O)n1sc2ccccc2c1=O
BDBM50435406 Brc1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435408 Fc1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
BDBM50435409 Fc1cccc(NC(=O)n2sc3ccccc3c2=O)c1
BDBM50049521 O[C@H]1CCC(=O)c2c(O)cccc12 |r|
BDBM50031598 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Br)c1 |r|
BDBM50031602 CCCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031603 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Br)c1 |r|
BDBM50040269 Fc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1
BDBM50040276 COc1ccccc1CC(=O)n1sc2ccccc2c1=O
BDBM50040309 Clc1cccc(CC(=O)n2sc3ccccc3c2=O)c1
BDBM50040328 Clc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040332 O=C(CCCCc1ccccc1)n1sc2ccccc2c1=O
BDBM50040333 O=C(Cc1cccs1)n1sc2ccccc2c1=O
BDBM50040341 COc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1
BDBM50031590 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(I)c1 |r|
BDBM50031591 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(I)c1 |r|
BDBM50031592 CCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031593 CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031594 CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031595 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
BDBM50031596 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
BDBM50031597 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
BDBM50031599 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(Br)c1 |r|
BDBM50031600 CCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031601 CCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031604 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 |r|
BDBM50031605 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
BDBM50031606 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
BDBM50031607 CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031609 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
BDBM50031610 CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
BDBM50031611 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
BDBM50031608 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
BDBM50040267 COc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040268 Fc1ccccc1CCC(=O)n1sc2ccccc2c1=O
BDBM50040270 Fc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040271 Clc1ccccc1CCC(=O)n1sc2ccccc2c1=O
BDBM50040272 O=C(Cc1ccccc1)n1sc2ccccc2c1=O
BDBM50040273 Cc1ccccc1CC(=O)n1sc2ccccc2c1=O
BDBM50040274 Cc1cccc(CC(=O)n2sc3ccccc3c2=O)c1
BDBM50040275 Cc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040277 COc1cccc(CC(=O)n2sc3ccccc3c2=O)c1
BDBM50040278 COc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040279 Fc1ccccc1CC(=O)n1sc2ccccc2c1=O
BDBM50040293 Fc1cccc(CC(=O)n2sc3ccccc3c2=O)c1
BDBM50040297 Fc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040300 Clc1ccccc1CC(=O)n1sc2ccccc2c1=O
BDBM50040311 Clc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040313 Oc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040322 Clc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1Cl
BDBM50040326 O=C(CCc1ccccc1)n1sc2ccccc2c1=O
BDBM50040327 Cc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1
BDBM50040329 O=C(CCCc1ccccc1)n1sc2ccccc2c1=O
BDBM50040330 Cc1ccc(CCCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040331 COc1ccc(CCCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040334 O=C(CCC(=O)n1sc2ccccc2c1=O)c1cccs1
BDBM50040335 O=C(CCCc1cccs1)n1sc2ccccc2c1=O
BDBM50040336 O=C(Cc1ccc(cc1)-c1ccccc1)n1sc2ccccc2c1=O
BDBM50040337 O=C(Cc1ccc2ccccc2c1)n1sc2ccccc2c1=O
BDBM50040338 O=C(Cc1ccc2OCCc2c1)n1sc2ccccc2c1=O
BDBM50040339 Cc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1
BDBM50040340 COc1ccccc1CCC(=O)n1sc2ccccc2c1=O
BDBM223312 OC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM223313 CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
BDBM228616 CCOC(=O)[C@@H]1O[C@H]1C(=O)N(CC(N)=O)NC(=O)C1CCCN1C(C)=O |r|
BDBM228619 COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF
BDBM50102098 CCN(CC)Cc1ccc2nc(NC(=O)N\N=C\c3ccc(OCc4ccc(cc4)C(C)(C)C)cc3O)sc2c1
BDBM50102099 CCN(CC)Cc1ccc2nc(NC(=O)N\N=C\c3ccc(OCc4ccc(Cl)cc4)cc3O)sc2c1
BDBM50102100 CC1CCN(Cc2ccc3nc(NC(=O)N\N=C\c4ccc(OCc5ccc(cc5)C(C)(C)C)cc4O)sc3c2)CC1
BDBM50102101 CC1CCN(Cc2ccc3nc(NC(=O)N\N=C\c4ccc(OCc5cccc(Cl)c5)cc4O)sc3c2)CC1
BDBM50102103 CCN(CC)Cc1ccc2nc(NC(=O)N\N=C\c3ccc(OCc4csc(Cc5ccc6OCOc6c5)n4)cc3O)sc2c1
BDBM228617 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
BDBM50102102 CC(C)(C)c1ccc(COc2ccc(\C=N\NC(=O)Nc3nc4ccc(cc4s3)N3CCOCC3)c(O)c2)cc1
BDBM50171503 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2[N+]([O-])=O)c2ccccc12
BDBM50171501 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(cc2)[N+]([O-])=O)c2ccccc12
BDBM50171502 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(c2)[N+]([O-])=O)c2ccccc12
BDBM50171526 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(F)cc2)c2ccccc12
BDBM50171500 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2)c2ccccc12
BDBM50171533 COc1cccc(c1)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1
BDBM50171564 COc1ccc(cc1OC)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1
BDBM50171565 COc1cc(cc(OC)c1OC)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1
BDBM50171531 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2C)c2ccccc12
BDBM50171532 COc1ccc(cc1)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1
BDBM50171505 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(Cl)cc2)c2ccccc12
BDBM50171527 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(F)c2)c2ccccc12
BDBM50171528 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2F)c2ccccc12
BDBM50171529 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(C)cc2)c2ccccc12
BDBM50171530 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(C)c2)c2ccccc12
BDBM50171506 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(Cl)c2)c2ccccc12
BDBM50171510 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2Br)c2ccccc12
BDBM50171507 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2Cl)c2ccccc12
BDBM50171508 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(Br)cc2)c2ccccc12
BDBM50171509 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(Br)c2)c2ccccc12
BDBM50171563 COc1ccccc1-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1
BDBM312057 Oc1ccccc1\C=N\NC(=O)CN1CCNCC1
BDBM312058 C\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM314073 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
BDBM314076 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
BDBM50240928 Cn1c2nc(S)n(CC(O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O
BDBM50240930 CCn1c(=O)n(C)c2nc(S)n(C)c2c1=O
BDBM50240931 Cn1c(S)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12
BDBM50240932 Cn1c(S)nc2n(C)c(=O)n(C)c(=O)c12
BDBM355886 CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
BDBM379557 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1
BDBM50271098 CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)c(Cl)c2)C1c1ccc(Br)cc1 |c:3|
BDBM50461529 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1C#N)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461530 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)s1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461531 [H][C@]12CC[C@]([H])(CC(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F)N2C(=O)C(=O)Nc1ccccc1C(C)(C)C |r,THB:9:7:31:2.3|
BDBM50461532 CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461533 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
BDBM50461488 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1noc2ccccc12)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461489 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1cccc(Cl)c1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461490 CC(C)(C)c1cccc(NC(=O)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)c1 |r|
BDBM50461491 CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461492 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461499 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1F)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461500 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccon1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461501 CC(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461502 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461503 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461504 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)COc1c(F)c(F)cc(F)c1F |r,TLB:14:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50461505 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461506 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461507 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461508 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1F)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461509 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461510 CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)cc1 |r|
BDBM50461511 [H][C@]12CC[C@]([H])(C(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F)N2C(=O)C(=O)Nc1ccccc1C(C)(C)C |r,THB:9:6:31:2.3|
BDBM50461512 CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461513 CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461514 CC(C)(C)c1ccccc1NC(=O)C(=O)N1CC(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461515 CC(C)(C)c1ccccc1NC(=O)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461516 CC(C)(C)c1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461517 CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461518 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC(F)(F)CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461519 Cc1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461520 CCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461521 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461522 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccc2ccccc12)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461523 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461524 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1C(F)(F)F)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461525 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461526 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461527 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461528 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50453034 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r|
BDBM50461493 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461494 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461495 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccc(Cl)c1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461496 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461497 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)OC1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50461498 COc1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
BDBM50478882 NC1=C(Cl)C(=N)c2c(c[nH]c2C1=O)C(O)CO |c:1|
BDBM50478883 CC(=O)OCC(OC(C)=O)c1c[nH]c2c1C(=N)C(Cl)=C(N)C2=O |t:19|
BDBM50478884 CC(=O)OCC(OC(C)=O)c1c[nH]c2c1C(=O)C(Cl)=C(N)C2=O |t:19|
BDBM50478844 Cn1cc2CCN=C3c2c1C(=O)C1=C3C2(CCN1)C=C(Br)C(=O)C(Br)=C2 |c:6,14,28,t:22|
BDBM50487385 Cc1ccccc1C1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM50487386 COC(=O)CC1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM50487387 Cc1nc2ccc(cc2c2C(=O)CC(=O)c12)S(=O)(=O)N1CCOCC1
BDBM50487388 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCCC1COc1ccccc1
BDBM50487389 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM50487390 Cc1nc2ccc(cc2c2C(=O)C(C(=O)c12)c1ccccc1C)S(=O)(=O)N1CCOCC1
BDBM50487391 COC(=O)CCC1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM50487392 COC(=O)CCC1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
BDBM50487393 COC(=O)CCC1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM50487394 COC(=O)CC1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM50487395 COC(=O)CC1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM50487396 CC1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM50487397 CC1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM50487398 CC1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM50487399 Cc1nc2ccc(F)cc2c2C(=O)CC(=O)c12
BDBM50487400 COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3C(=O)C(C(=O)c3c2c1)c1c(C)nn(C)c1C
BDBM50487401 COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)C(C(=O)c3c2c1)c1c(C)nn(C)c1C
BDBM50487402 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO
BDBM50487403 Cc1ccccc1C1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM50487404 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
BDBM50487405 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(N)(=O)=O
BDBM50487406 COC(=O)CCC1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
BDBM50487407 COC(=O)CC1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
BDBM50487408 Cc1nn(C)c(C)c1C1C(=O)c2c(C1=O)c1cc(ccc1nc2C)C#N
BDBM50487409 Cc1nc2ccc(Br)cc2c2C(=O)CC(=O)c12
BDBM50499736 NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
BDBM50499737 CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
BDBM50499738 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
BDBM50536834 FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
BDBM50536838 FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
BDBM50536839 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
BDBM448319 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
BDBM50533822 [H][C@@]12CCCN1C(=O)\C(=C/c1ccccc1)N(OCC)C2=O |r|
BDBM50540081 Fc1cc2c(cc1N1CCNCC1)n(cc(C(=O)N\N=C\c1ccc3OCOc3c1)c2=O)C1CC1
BDBM480973 O=C(N1CCCCC1)c1cnc(NC2(CC2)c2cncnc2)nc1
BDBM484194 O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1
BDBM484195 CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)OCc1ccccc1
BDBM509991 C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r|
BDBM50546262 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CNc1ccc2oc(nc2c1)-c1ccc(cc1)N(C)C |r|
BDBM50546260 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)C=O |r|
BDBM50546261 CN(C)c1ccc(cc1)-c1nc2cc(N)ccc2o1
BDBM50575718 Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O |r|
BDBM572144 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572145 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1=O)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572146 OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1ccnc(n1)C(F)(F)F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM572147 OC(=O)C[C@H](NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM50589770 Clc1ccc(cc1Cl)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)c1cncc2ccccc12 |r|
BDBM50589769 Clc1ccc(cc1Cl)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)c1cccnc1 |r|
BDBM50602407 ClCC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)c1ccc(Cl)c(Cl)c1 |r|
CHEMBL1170915 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1 |r,c:24,t:14,16,19|
CHEMBL4758598 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1cccc(C)c1 |r,c:24,t:14,16,19|
CHEMBL4763181 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1C |r,c:24,t:14,16,19|
CHEMBL5289163 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)c5ccc(F)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
CHEMBL5287369 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)C=C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:28,t:14,16,19|
CHEMBL5283469 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
CHEMBL5281460 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:35,t:14,16,19|
CHEMBL5267627 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5ccccc5F)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
CHEMBL5287882 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5cccc(Cl)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
CHEMBL5278099 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)\C=C\c5cccc(C)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:36,t:14,16,19|
CHEMBL5267595 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,t:14,16,19|
CHEMBL5267633 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6C=Cc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,44,t:14,16,19|
CHEMBL5284075 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(C)CC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
CHEMBL5272214 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CCCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:32,t:14,16,19|
CHEMBL5289266 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)C(C)=C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
CHEMBL5287464 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CCCC)CCCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:35,t:14,16,19|
CHEMBL5286412 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:40,t:14,16,19|
CHEMBL5287104 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccc(Cl)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
CHEMBL4782984 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:24,t:14,16,19|
CHEMBL4789502 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC1CCCCC1 |r,c:24,t:14,16,19|
CHEMBL5291361 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(C)=O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:27,t:14,16,19|
CHEMBL5291409 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CCC)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:33,t:14,16,19|
CHEMBL5275224 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:31,t:14,16,19|
CHEMBL5280661 CCCCCCN(C)CC(=O)C(CC(O)=O)NC(=O)[C@H](CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |r|
CHEMBL5267681 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)CCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
CHEMBL5291346 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)c5ccc(Br)cc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:34,t:14,16,19|
CHEMBL5287993 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)CC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:30,t:14,16,19|
CHEMBL5284535 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(c5ccccc5)c5ccccc5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
CHEMBL5290311 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6Sc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:43,t:14,16,19|
CHEMBL5288481 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(C)C)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:29,t:14,16,19|
CHEMBL5268260 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCC(CC5)N5CCCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:40,t:14,16,19|
CHEMBL5265939 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCCCC5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:33,t:14,16,19|
CHEMBL5269146 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5Cl)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:41,t:14,16,19|
CHEMBL4751648 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOC |r,c:24,t:14,16,19|
CHEMBL5287213 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5c6ccccc6CCc6ccccc56)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:44,t:14,16,19|
CHEMBL5272129 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5cccc(OC)c5)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:42,t:14,16,19|
CHEMBL5291370 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N5CCN(CC5)c5ccccc5OC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:42,t:14,16,19|
CHEMBL5283733 [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC(=O)N(CC)CC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:31,t:14,16,19|