smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005683773	440964451	/nfs/dbraw/zinc/96/44/51/440964451.db2.gz	RNWJMVVDLANJJL-LCYFTJDESA-N	-1	2	325.280	1.762	50	10		EDCALM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O	ZINC000005683773	440964455	/nfs/dbraw/zinc/96/44/55/440964455.db2.gz	RNWJMVVDLANJJL-LCYFTJDESA-N	-1	2	325.280	1.762	50	10		EDCALM
O=C([O-])CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)SC1=S	ZINC000012652751	258055212	/nfs/dbraw/zinc/05/52/12/258055212.db2.gz	CNWGWZABZWJOHG-XBXARRHUSA-N	-1	2	340.338	1.586	50	10		EDCALM
O=C([O-])CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S	ZINC000003151579	440889453	/nfs/dbraw/zinc/88/94/53/440889453.db2.gz	IQMOOQROQJKYOI-RUDMXATFSA-N	-1	2	340.338	1.586	50	10		EDCALM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1	ZINC000003671422	440907274	/nfs/dbraw/zinc/90/72/74/440907274.db2.gz	RRAKJXCAUGGNPL-XYOKQWHBSA-N	-1	2	326.264	1.644	50	10		EDCALM
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000012462480	441133360	/nfs/dbraw/zinc/13/33/60/441133360.db2.gz	VULXEAWBUOZGKS-MDWZMJQESA-N	-1	2	340.291	1.953	50	10		EDCALM
O=C([O-])CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S	ZINC000002565362	440865476	/nfs/dbraw/zinc/86/54/76/440865476.db2.gz	IQMOOQROQJKYOI-WTKPLQERSA-N	-1	2	340.338	1.586	50	10		EDCALM