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-])Cn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)nn1	ZINC000759082538	804198957	/nfs/dbraw/zinc/19/89/57/804198957.db2.gz	DJGARIMSAGNNCY-IZZDOVSWSA-N	-2	0	313.273	-0.176	20	10		DBCDRL
COc1cc(C(=O)NCCOP(=O)([O-])[O-])cc(O)c1O	ZINC001193114531	834463178	/nfs/dbraw/zinc/46/31/78/834463178.db2.gz	URLXYPVEOBPRDI-UHFFFAOYSA-N	-2	0	307.195	-0.055	20	10		DBCDRL
Cn1[n-]nnc1=NC(=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155217981	831922785	/nfs/dbraw/zinc/92/27/85/831922785.db2.gz	CLEPGVWRMDJKJE-UHFFFAOYSA-N	-2	0	303.234	-0.598	20	10		DBCDRL
O=C(CN1C(=O)CSC1=S)NCCOP(=O)([O-])[O-]	ZINC001144848165	831259746	/nfs/dbraw/zinc/25/97/46/831259746.db2.gz	DZVFHNFQJVDHTF-UHFFFAOYSA-N	-2	0	314.281	-0.928	20	10		DBCDRL
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889213	831415863	/nfs/dbraw/zinc/41/58/63/831415863.db2.gz	BQLSCCPZSGIZQQ-UHFFFAOYSA-N	-2	0	300.278	-0.081	20	10		DBCDRL
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)nn1	ZINC000759082541	804199417	/nfs/dbraw/zinc/19/94/17/804199417.db2.gz	DJGARIMSAGNNCY-WDZFZDKYSA-N	-2	0	313.273	-0.176	20	10		DBCDRL