smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C([O-])C(=O)[C@@H](C(=O)C(=O)[O-])C1=O	238394086	573435419	/nfs/dbraw/zinc/43/54/19/573435419.db2.gz	YGHCDEOEBUXLDN-GBXIJSLDSA-N	-2	0	198.130	-1.387	10	10		AACERL
CC1=C([O-])C(=O)[C@H](C(=O)C(=O)[O-])C1=O	238393613	573435532	/nfs/dbraw/zinc/43/55/32/573435532.db2.gz	YGHCDEOEBUXLDN-PWNYCUMCSA-N	-2	0	198.130	-1.387	10	10		AACERL
CC1=C([O-])C(=O)[C@@H](C(=O)C(=O)[O-])C1=O	238437742	573550777	/nfs/dbraw/zinc/55/07/77/573550777.db2.gz	YGHCDEOEBUXLDN-HRFVKAFMSA-N	-2	0	198.130	-1.387	10	10		AACERL
CC1=C([O-])C(=O)[C@H](C(=O)C(=O)[O-])C1=O	238437448	573551613	/nfs/dbraw/zinc/55/16/13/573551613.db2.gz	YGHCDEOEBUXLDN-STHAYSLISA-N	-2	0	198.130	-1.387	10	10		AACERL
N[C@@H](NN=CC(=O)[O-])C(=O)[O-]	100203873	169241380	/nfs/dbraw/zinc/24/13/80/169241380.db2.gz	WQMUMFPZBCPWQV-LDHNOCAXSA-N	-2	0	161.117	-1.107	10	10		AACERL
N[C@H](NN=CC(=O)[O-])C(=O)[O-]	100203879	169261906	/nfs/dbraw/zinc/26/19/06/169261906.db2.gz	WQMUMFPZBCPWQV-QVRJCHDNSA-N	-2	0	161.117	-1.107	10	10		AACERL
O=C([O-])N=C1N[N-]C(=O)C1=O	90696797	169344610	/nfs/dbraw/zinc/34/46/10/169344610.db2.gz	CEGHWNHLHREVPW-UHFFFAOYSA-N	-2	0	157.085	-1.734	10	10		AACERL