smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1c[nH+]c(CCC)n1CCCn1cc[nH+]c1CCC ZINC000043013918 183328012 /nfs/dbraw/zinc/32/80/12/183328012.db2.gz WGJGPIUSFBMNTG-UHFFFAOYSA-N 2 2 300.450 3.803 1 30 DHEFLP Cc1ccc2c(N[NH+]=Cc3ccc(N(C)C)cc3)cc(C)[nH+]c2c1 ZINC000064574056 184300690 /nfs/dbraw/zinc/30/06/90/184300690.db2.gz OUUYCCNQRJBSLE-BKUYFWCQSA-N 2 2 318.424 3.786 1 30 DHEFLP