smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@H](CO)NCC[N+](=O)[O-]	905371759	582647799	/nfs/dbraw/zinc/64/77/99/582647799.db2.gz	IRKYZHVBCAYJJO-SSDOTTSWSA-N	0	3	191.231	-1.225	20	5		AABDHN
CN(C)C[C@@H](CO)NCC[N+](=O)[O-]	905371760	582648185	/nfs/dbraw/zinc/64/81/85/582648185.db2.gz	IRKYZHVBCAYJJO-ZETCQYMHSA-N	0	3	191.231	-1.225	20	5		AABDHN
CN(CCO)CCNCC[N+](=O)[O-]	905492039	582650282	/nfs/dbraw/zinc/65/02/82/582650282.db2.gz	XTGVZAZYZMVVLS-UHFFFAOYSA-N	0	3	191.231	-1.223	20	5		AABDHN
COC[C@@H](O)CNCC[N+](=O)[O-]	1336151178	1170369533	/nfs/dbraw/zinc/36/95/33/1170369533.db2.gz	KEFZAIBVAVDOCF-LURJTMIESA-N	0	3	178.188	-1.140	20	5		AABDHN
COC[C@H](O)CNCC[N+](=O)[O-]	1352802657	1170533343	/nfs/dbraw/zinc/53/33/43/1170533343.db2.gz	KEFZAIBVAVDOCF-ZCFIWIBFSA-N	0	3	178.188	-1.140	20	5		AABDHN