smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CC[C@@H]2[C@H](C1)C2(C(=O)[O-])C(=O)[O-]	95099142	560062643	/nfs/dbraw/zinc/06/26/43/560062643.db2.gz	XADPDVMQMMJJHT-RQJHMYQMSA-N	-2	0	196.202	1.128	1	0	biogenic,in-vitro	ADAFRL
C[C@H]1C=C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	4566530	168593870	/nfs/dbraw/zinc/59/38/70/168593870.db2.gz	CSNFONFXEJPFQA-DKXJUACHSA-N	-2	0	198.218	1.230	1	0		ADAFRL
O=C([O-])[C@@H]1[C@@H](C([O-])=S)[C@@H]2C=C[C@H]1C2	15636887	171029703	/nfs/dbraw/zinc/02/97/03/171029703.db2.gz	IIZLNWRFIFLOOT-VZFHVOOUSA-N	-2	0	198.243	1.395	1	0		ADAFRL
CC1=C[C@@H](C)[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	3683159	342983775	/nfs/dbraw/zinc/98/37/75/342983775.db2.gz	ZSVDBGWHEBFPNB-CSMHCCOUSA-N	-2	0	198.218	1.374	1	0		ADAFRL