smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C(=N[N-]c1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(C)=O	ZINC000013686508	372778692	/nfs/dbraw/zinc/77/86/92/372778692.db2.gz	WLOOQECIVVOOQC-UHFFFAOYSA-N	-1	3	306.282	-1.094	50	30		DAEAHM
CC(=O)C(N=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)=C(C)[O-]	ZINC000013686508	372778700	/nfs/dbraw/zinc/77/87/00/372778700.db2.gz	WLOOQECIVVOOQC-UHFFFAOYSA-N	-1	3	306.282	-1.094	50	30		DAEAHM
NC1=NC(=O)C(=N[N-]c2ccc(S(N)(=O)=O)cc2)C(=O)N1	ZINC000018113635	545671806	/nfs/dbraw/zinc/67/18/06/545671806.db2.gz	XRPFBBHRYBQAIT-UHFFFAOYSA-N	-1	3	310.295	-1.927	50	30		DAEAHM
N/C(=N/[O-])c1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000004653301	563496583	/nfs/dbraw/zinc/49/65/83/563496583.db2.gz	CUVYIRKSQLNWRG-UHFFFAOYSA-N	-1	3	309.330	-1.361	50	30		DAEAHM