smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC1(c2ccc(Br)cc2F)CC1 ZINC000075934170 181333687 /nfs/dbraw/zinc/33/36/87/181333687.db2.gz NDHUWRXHQBUQGL-UHFFFAOYSA-N 0 3 230.080 2.536 30 0 BFACHN CCN(CC)c1cccc(Cl)c1CN ZINC000020469566 388611319 /nfs/dbraw/zinc/61/13/19/388611319.db2.gz RFJNYRHCJBCEFM-UHFFFAOYSA-N 0 3 212.724 2.645 30 0 BFACHN