smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c1 ZINC000044247325 562652710 /nfs/dbraw/zinc/65/27/10/562652710.db2.gz YFMBSKDSAUSPKA-UHFFFAOYSA-N 0 3 512.007 3.812 1 70 KHIFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000044280749 562652953 /nfs/dbraw/zinc/65/29/53/562652953.db2.gz HGDFHYACRYJXPN-UHFFFAOYSA-N 0 3 512.007 3.812 1 70 KHIFHN