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-])CCC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000016450455	436091572	/nfs/dbraw/zinc/09/15/72/436091572.db2.gz	KRRUQTLGWNZFRT-UHFFFAOYSA-N	-2	0	346.299	0.152	40	10		ECCBRL
O=C1CSC(=S)N1[N-]C(=S)SCCCS(=O)(=O)[O-]	ZINC000003156388	435970536	/nfs/dbraw/zinc/97/05/36/435970536.db2.gz	LCGAXQZRXJXBSE-UHFFFAOYSA-N	-2	0	346.502	0.647	40	10		ECCBRL
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232637	438583162	/nfs/dbraw/zinc/58/31/62/438583162.db2.gz	ATXWFZBOJJEINJ-SSDOTTSWSA-N	-2	0	334.284	0.297	40	10		ECCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000100276662	219095912	/nfs/dbraw/zinc/09/59/12/219095912.db2.gz	IAOHPMJXVFPVEZ-SERMCNLOSA-N	-2	0	326.312	0.660	40	10		ECCBRL
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232640	438583286	/nfs/dbraw/zinc/58/32/86/438583286.db2.gz	ATXWFZBOJJEINJ-ZETCQYMHSA-N	-2	0	334.284	0.297	40	10		ECCBRL
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCC(=O)[O-])C2=O)c(C)c1	ZINC000408533803	301183503	/nfs/dbraw/zinc/18/35/03/301183503.db2.gz	PDCUKJADRRVQIB-IZZDOVSWSA-N	-2	0	331.328	0.753	40	10		ECCBRL
Nc1nc2nc(N=Nc3ccc(S(=O)(=O)[O-])cc3)[n-]c2c(=O)[nH]1	ZINC000017285079	436099416	/nfs/dbraw/zinc/09/94/16/436099416.db2.gz	WLZVIPJWGHVKJK-ZCXUNETKSA-N	-2	0	335.305	0.891	40	10		ECCBRL
O=C([O-])CNC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000019596834	436108490	/nfs/dbraw/zinc/10/84/90/436108490.db2.gz	VPIRNMIKKPQBNH-WQLSENKSSA-N	-2	0	339.307	0.981	40	10		ECCBRL