smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CC(=S)CC(=S)CC(=O)[O-]	ZINC000098073412	384591391	/nfs/dbraw/zinc/59/13/91/384591391.db2.gz	JOVPKPOJLMYPFW-UHFFFAOYSA-N	-2	0	220.271	1.066	50	10		BDCARL
CCc1c(C)nc2c(C(=O)[O-])c[n-]n2c1=O	ZINC000100002704	384607217	/nfs/dbraw/zinc/60/72/17/384607217.db2.gz	IRUIJFQWKBRSJB-UHFFFAOYSA-N	-2	0	221.216	1.004	50	10		BDCARL
O=C1c2ccc([O-])cc2C(=O)c2ccc([O-])cc21	ZINC000003860201	384031958	/nfs/dbraw/zinc/03/19/58/384031958.db2.gz	APAJFZPFBHMFQR-UHFFFAOYSA-N	-2	0	240.214	1.873	50	10	biogenic,in-vitro	BDCARL
O=C1C=CC(=NN=c2nn[n-][nH]2)C([O-])=C1	ZINC000006505548	183267212	/nfs/dbraw/zinc/26/72/12/183267212.db2.gz	SHNXCVXUYAEVNC-CMDGGOBGSA-N	-2	0	206.165	1.026	50	10		BDCARL