smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Nc1c([O-])c2c(Cl)cccc2[nH]c1=O	ZINC000013757438	182879083	/nfs/dbraw/zinc/87/90/83/182879083.db2.gz	JWEVQBSNKUBXKJ-UHFFFAOYSA-N	-1	2	224.603	2.285	1	0		BEAFLM
O=Nc1c([O-])[nH]c2cccc(Cl)c2c1=O	ZINC000013757438	182879086	/nfs/dbraw/zinc/87/90/86/182879086.db2.gz	JWEVQBSNKUBXKJ-UHFFFAOYSA-N	-1	2	224.603	2.285	1	0		BEAFLM
C[C@@H](C(=O)O)[C@@H](C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000004714440	368102103	/nfs/dbraw/zinc/10/21/03/368102103.db2.gz	AOOUEKJMMFRAPN-NGZCFLSTSA-N	-1	2	236.267	2.212	2	0		BEAFLM
C[C@@H](C(=O)O)[C@@H](C(=O)[O-])[C@H](C)c1ccccc1	ZINC000004714441	177039926	/nfs/dbraw/zinc/03/99/26/177039926.db2.gz	AOOUEKJMMFRAPN-KKZNHRDASA-N	-1	2	236.267	2.212	2	0		BEAFLM
C[C@@H](C(=O)O)[C@H](C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000004714442	487951372	/nfs/dbraw/zinc/95/13/72/487951372.db2.gz	AOOUEKJMMFRAPN-IQJOONFLSA-N	-1	2	236.267	2.212	2	0		BEAFLM
C[C@@H](C(=O)O)[C@H](C(=O)[O-])[C@H](C)c1ccccc1	ZINC000004714443	177040090	/nfs/dbraw/zinc/04/00/90/177040090.db2.gz	AOOUEKJMMFRAPN-FXPVBKGRSA-N	-1	2	236.267	2.212	2	0		BEAFLM