smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2noc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)n2)c(OC)c1 ZINC000218399351 557197224 /nfs/dbraw/zinc/19/72/24/557197224.db2.gz LIAQIJHYESDUGB-UHFFFAOYSA-N -1 0 432.458 2.055 40 70 IEIBRM COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3[N-]S(C)(=O)=O)n2)c(OC)c1 ZINC000218400240 557197129 /nfs/dbraw/zinc/19/71/29/557197129.db2.gz NROPPQDLMACZCT-UHFFFAOYSA-N -1 0 446.485 2.398 40 70 IEIBRM