smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=NC(=[NH2+])NC(=N)N)n(C(=N)NC(N)=[NH2+])c(=NC(=[NH2+])NC(=N)N)n1C ZINC000016363555 230895671 /nfs/dbraw/zinc/89/56/71/230895671.db2.gz PJRBZFRFAGJDFN-NFXRTZMGSA-N 3 2 379.397 -5.142 40 30 GAEBLP