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-])CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000408593495	304066954	/nfs/dbraw/zinc/06/69/54/304066954.db2.gz	QAVOPLHFBPOVAS-QPJJXVBHSA-N	-2	0	307.218	0.278	40	5		DCBBRL
O=Cc1c([O-])c2c(ccc3[nH]c(=O)c(C=O)c([O-])c32)[nH]c1=O	ZINC000103990473	395776109	/nfs/dbraw/zinc/77/61/09/395776109.db2.gz	FJPGYPNRIWSMTJ-UHFFFAOYSA-N	-2	0	300.226	0.406	40	5		DCBBRL
O=C([O-])CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000408592402	239273861	/nfs/dbraw/zinc/27/38/61/239273861.db2.gz	MIONBZWURXPIHC-XBXARRHUSA-N	-2	0	307.218	0.278	40	5		DCBBRL
O=C([O-])Cc1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O	ZINC000217387165	395838563	/nfs/dbraw/zinc/83/85/63/395838563.db2.gz	NYVRPHADTFCPII-UHFFFAOYSA-N	-2	0	305.246	0.884	40	5		DCBBRL
O=C([O-])CN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000408590257	239272812	/nfs/dbraw/zinc/27/28/12/239272812.db2.gz	GZRXWPGMXSQLAA-XBXARRHUSA-N	-2	0	307.218	0.278	40	5		DCBBRL
O=C([O-])c1cnc2[nH]c3[nH]cc(C(=O)[O-])c(=O)c3cc-2c1=O	ZINC000026459698	257129402	/nfs/dbraw/zinc/12/94/02/257129402.db2.gz	RGKGAKOVIXVEPQ-UHFFFAOYSA-N	-2	0	301.214	0.986	40	5		DCBBRL
O=C([O-])c1n[nH]c(-c2[nH]nc(C(=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000008742081	304216147	/nfs/dbraw/zinc/21/61/47/304216147.db2.gz	FJNYETPKQGSJRT-UHFFFAOYSA-N	-2	0	312.154	0.013	40	5		DCBBRL
O=C([O-])c1cc([N+](=O)[O-])c(C(=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000100495019	304227446	/nfs/dbraw/zinc/22/74/46/304227446.db2.gz	VYODUSSCTYJRDH-UHFFFAOYSA-N	-2	0	301.123	0.808	40	5		DCBBRL
O=C([O-])CN1C(=O)N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408593296	239273707	/nfs/dbraw/zinc/27/37/07/239273707.db2.gz	MHDBLOXFKCLERY-XVNBXDOJSA-N	-2	0	307.218	0.278	40	5		DCBBRL