smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c(/C=C/C(=O)c2c([O-])c3ccccc3n(C)c2=O)c([O-])c2ccccc21	ZINC000100192801	557153464	/nfs/dbraw/zinc/15/34/64/557153464.db2.gz	RUGYOUXJCUHSKE-OUKQBFOZSA-N	-2	1	416.433	3.181	40	30		HGEBML
CCOc1cc(C=N[N-]c2nc([O-])c(C(C)C)o2)ccc1OC(=O)c1ccc(C)cc1	ZINC000020175845	558343765	/nfs/dbraw/zinc/34/37/65/558343765.db2.gz	MKMPUWZOMYWNQL-AFEQLLIESA-N	-2	1	423.469	3.474	40	30		HGEBML
[O-]C([C@@H]1CCC=NN1C([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000073332041	558986242	/nfs/dbraw/zinc/98/62/42/558986242.db2.gz	YUMNEBSXOBFUME-BYPYZUCNSA-N	-2	1	416.162	3.106	40	30		HGEBML
CCOc1cc(C=N[N-]c2nc([O-])c(C(C)C)o2)ccc1OC(=O)c1ccc(C)cc1	ZINC000020175844	558343911	/nfs/dbraw/zinc/34/39/11/558343911.db2.gz	MKMPUWZOMYWNQL-FINLKQIMSA-N	-2	1	423.469	3.474	40	30		HGEBML
Cc1ccc2nc3[n-]c(NN=Cc4cc(O)c([O-])c(Br)c4)nnc-3c2c1	ZINC000015018446	558702920	/nfs/dbraw/zinc/70/29/20/558702920.db2.gz	PJHHUSSNXGOHOF-FBCYGCLPSA-N	-2	1	413.235	3.434	40	30		HGEBML
[O-]C([C@H]1CCC=NN1C([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000073332036	558986330	/nfs/dbraw/zinc/98/63/30/558986330.db2.gz	YUMNEBSXOBFUME-SCSAIBSYSA-N	-2	1	416.162	3.106	40	30		HGEBML