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-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nccc(=O)[n-]1	ZINC000016546083	304227944	/nfs/dbraw/zinc/22/79/44/304227944.db2.gz	PERHPVANHNJTML-UHFFFAOYSA-N	-2	1	338.257	1.848	40	5		EDBBML
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1ccccc1[N+](=O)[O-]	ZINC000000045724	440795634	/nfs/dbraw/zinc/79/56/34/440795634.db2.gz	ILMLQOOICRJTAX-UHFFFAOYSA-N	-2	1	342.336	1.977	40	5		EDBBML
O=C([O-])COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000409339746	447683198	/nfs/dbraw/zinc/68/31/98/447683198.db2.gz	XQSDPIBRFOJHCC-UTCJRWHESA-N	-3	1	333.256	1.430	40	5		EDBBML
O=C([O-])COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000409339746	447683203	/nfs/dbraw/zinc/68/32/03/447683203.db2.gz	XQSDPIBRFOJHCC-UTCJRWHESA-N	-2	1	333.256	1.430	40	5		EDBBML
COc1ccc([N+](=O)[O-])cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409345154	447683787	/nfs/dbraw/zinc/68/37/87/447683787.db2.gz	KMXZRRFHPIOITJ-DJWKRKHSSA-N	-2	1	334.244	1.883	40	5		EDBBML
COC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000409328670	447683563	/nfs/dbraw/zinc/68/35/63/447683563.db2.gz	ZRXJWMVSMQYLAV-QPJJXVBHSA-N	-2	1	347.283	1.518	40	5		EDBBML
COC(=O)COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1	ZINC000408604015	250306263	/nfs/dbraw/zinc/30/62/63/250306263.db2.gz	IBYZZSPIUOQXCQ-AATRIKPKSA-N	-2	1	347.283	1.518	40	5		EDBBML