smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1Nc2ccc3cc4ccccc4[nH+]c3c2CO1 ZINC000040763302 174397181 /nfs/dbraw/zinc/39/71/81/174397181.db2.gz XYPQFXMKQKQDAG-JTQLQIEISA-N 1 2 250.301 3.676 1 5 CHBFLO COc1ccc2[nH+]c3c(C)cc4ccccc4n3c2c1 ZINC000001637735 169730264 /nfs/dbraw/zinc/73/02/64/169730264.db2.gz UKVTYFCFSASELC-UHFFFAOYSA-N 1 2 262.312 3.958 1 5 CHBFLO C[C@@H]1Nc2ccc3cc4ccccc4[nH+]c3c2CO1 ZINC000040763301 174397129 /nfs/dbraw/zinc/39/71/29/174397129.db2.gz XYPQFXMKQKQDAG-SNVBAGLBSA-N 1 2 250.301 3.676 1 5 CHBFLO