smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCC1=NCCc2c3ccccc3[nH]c21 ZINC000043019998 187354535 /nfs/dbraw/zinc/35/45/35/187354535.db2.gz MYXVLTVHLOCFDI-UHFFFAOYSA-N 0 3 238.334 3.869 1 30 BHEFHN c1ccc(NC2=Nc3ccccc3CC2)cc1 ZINC000016662357 183387264 /nfs/dbraw/zinc/38/72/64/183387264.db2.gz FAQRBBKCMUZSRI-UHFFFAOYSA-N 0 3 222.291 3.775 3 30 BHEFHN