smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=[NH+]/C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000036378136 344944010 /nfs/dbraw/zinc/94/40/10/344944010.db2.gz ZUNFVGFZOHJFDE-FNDQXUCGSA-N 2 1 299.462 3.436 40 30 CGEBMP Oc1ccc(/C=N/C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000017610774 260107722 /nfs/dbraw/zinc/10/77/22/260107722.db2.gz CQQPHVVCNFQDKX-YYXRTCSZSA-N 2 1 272.392 3.076 40 30 CGEBMP CN(C)c1ccc(/C=[NH+]/C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000017610786 344888694 /nfs/dbraw/zinc/88/86/94/344888694.db2.gz ZUNFVGFZOHJFDE-NGSCWYRNSA-N 2 1 299.462 3.436 40 30 CGEBMP CN(C)c1ccc(/C=[NH+]/C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000004395271 368546350 /nfs/dbraw/zinc/54/63/50/368546350.db2.gz ZUNFVGFZOHJFDE-LOWPNFGMSA-N 2 1 299.462 3.436 40 30 CGEBMP CN(C)c1ccc(/C=[NH+]/C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000036378137 344944247 /nfs/dbraw/zinc/94/42/47/344944247.db2.gz ZUNFVGFZOHJFDE-DEYZYAAPSA-N 2 1 299.462 3.436 40 30 CGEBMP