smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCCCCC(=O)c1ccc([O-])cc1 ZINC000001585104 342704448 /nfs/dbraw/zinc/70/44/48/342704448.db2.gz DXNLTLLCJDZPSG-UHFFFAOYSA-N -1 1 234.339 4.181 40 0 BIABMM CCCCCc1cc(Cl)cc(Cl)c1[O-] ZINC000001687203 342709336 /nfs/dbraw/zinc/70/93/36/342709336.db2.gz HGARNIXVUPDCTH-UHFFFAOYSA-N -1 1 233.138 4.432 40 0 BIABMM