smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCc1cc(OC)c2ccccc2[nH+]1 ZINC000085835626 179183946 /nfs/dbraw/zinc/18/39/46/179183946.db2.gz POATZWUIMDGHJK-UHFFFAOYSA-N 1 2 257.377 4.756 1 30 CJEFLO Cc1ccccc1C=NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000005694450 170129954 /nfs/dbraw/zinc/12/99/54/170129954.db2.gz NQAPTYPJVMULPE-RGVLZGJSSA-N 1 2 295.773 4.643 3 30 CJEFLO