smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CP(CCC(=C)C)C(C)(C)C ZINC000584610468 346727101 /nfs/dbraw/zinc/72/71/01/346727101.db2.gz SBAIMNZUMZZERV-UHFFFAOYSA-N 0 3 184.263 4.377 10 30 AIEEHN