smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]c(=O)nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c1[N+](=O)[O-]	ZINC001226021781	1073443818	/nfs/dbraw/zinc/44/38/18/1073443818.db2.gz	VGTMCVLKZTVOFP-SECBINFHSA-N	-2	0	436.399	-0.766	20	5		IBBDRL
CCOC(=O)c1[n-]c(=O)nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c1[N+](=O)[O-]	ZINC001226021790	1073443771	/nfs/dbraw/zinc/44/37/71/1073443771.db2.gz	VGTMCVLKZTVOFP-VIFPVBQESA-N	-2	0	436.399	-0.766	20	5		IBBDRL
O=C(Oc1ncc(I)cc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001226125005	1073444486	/nfs/dbraw/zinc/44/44/86/1073444486.db2.gz	KWAMZBZRGKYOQL-ZCFIWIBFSA-N	-2	0	434.035	-0.030	20	5		IBBDRL
O=C(Oc1ncc([N+](=O)[O-])cc1I)[C@H](O)COP(=O)([O-])[O-]	ZINC001226138917	1073444462	/nfs/dbraw/zinc/44/44/62/1073444462.db2.gz	GJCLESJDQCHDJI-ZCFIWIBFSA-N	-2	0	434.035	-0.030	20	5		IBBDRL
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-])C2	ZINC001230143120	1073461280	/nfs/dbraw/zinc/46/12/80/1073461280.db2.gz	BJUWHANHGPYUCM-LURJTMIESA-N	-2	0	437.364	-0.170	20	5		IBBDRL
CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC001234685950	1073474768	/nfs/dbraw/zinc/47/47/68/1073474768.db2.gz	LWQUKUGRQNACNN-SECBINFHSA-N	-2	0	438.238	-0.016	20	5		IBBDRL