smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CO)c([N-]S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000004244686 210151028 /nfs/dbraw/zinc/15/10/28/210151028.db2.gz ZEANMQGTAJNXPZ-UHFFFAOYSA-N -1 1 337.397 2.305 30 0 EEACMM