smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)c2c(NCCC[NH2+]CCO)ccc(NCCC[NH2+]CCO)c21 ZINC000005374358 556048818 /nfs/dbraw/zinc/04/88/18/556048818.db2.gz SIDWSIHMDVGHMD-UHFFFAOYSA-N 2 0 440.544 1.230 40 10 IDCBRP O=C1c2cccc(NCCC[NH2+]CCO)c2C(=O)c2cccc(NCCC[NH2+]CCO)c21 ZINC000005461892 556055319 /nfs/dbraw/zinc/05/53/19/556055319.db2.gz ZDFMCUHFIYMYTO-UHFFFAOYSA-N 2 0 440.544 1.230 40 10 IDCBRP