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(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000044280749 562652952 /nfs/dbraw/zinc/65/29/52/562652952.db2.gz HGDFHYACRYJXPN-UHFFFAOYSA-N 2 2 512.007 3.812 1 70 KHIFLP