smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c(C(=O)[O-])cnn2C)n1 ZINC000031334241 207382615 /nfs/dbraw/zinc/38/26/15/207382615.db2.gz VXMNDQDDWDDKOQ-UHFFFAOYSA-N -2 0 386.346 -0.360 40 30 in-vitro GBEBRL