smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC/N=C(C)\C(C)=[NH+]/CCCC ZINC000017157285 343046069 /nfs/dbraw/zinc/04/60/69/343046069.db2.gz OODRHEYRJSRENL-XSYHWHKQSA-N 1 2 196.338 3.508 40 30 AHEBLO CS/C(=C\C=C(C)C)[NH+]=C(C)C ZINC000019418639 171168186 /nfs/dbraw/zinc/16/81/86/171168186.db2.gz VCBULQSCXFBVPD-YFHOEESVSA-N 1 2 183.320 3.638 40 30 AHEBLO CCCC/N=C(C)\C(C)=[NH+]\CCCC ZINC000104251507 486918318 /nfs/dbraw/zinc/91/83/18/486918318.db2.gz OODRHEYRJSRENL-HEEUSZRZSA-N 1 2 196.338 3.508 40 30 AHEBLO CCCC/N=C(C)/C(C)=[NH+]\CCCC ZINC000104251507 486918315 /nfs/dbraw/zinc/91/83/15/486918315.db2.gz OODRHEYRJSRENL-HEEUSZRZSA-N 1 2 196.338 3.508 40 30 AHEBLO CCCC/N=C(C)/C(C)=[NH+]/CCCC ZINC000104251513 486918234 /nfs/dbraw/zinc/91/82/34/486918234.db2.gz OODRHEYRJSRENL-PHEQNACWSA-N 1 2 196.338 3.508 40 30 AHEBLO