smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2ccc(O)cc2c2c3cc(F)ccc3[nH]c21 ZINC000073197374 176460832 /nfs/dbraw/zinc/46/08/32/176460832.db2.gz GIYXHNYUWKLSPE-UHFFFAOYSA-N 0 2 269.231 3.272 1 5 CGBFLN O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21 ZINC000042920021 581099828 /nfs/dbraw/zinc/09/98/28/581099828.db2.gz CEHGVNIFTRLUOI-UHFFFAOYSA-N 0 2 267.288 3.187 1 5 in-vivo CGBFLN