smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(O)C([N+](=O)[O-])CC[C@@H](O)[C@@H]1O	687806499	571862479	/nfs/dbraw/zinc/86/24/79/571862479.db2.gz	UXFZAIVGNZSLEO-MVIOUDGNSA-N	0	3	191.183	-1.102	10	5		AABEHN
NC(=O)[C@]1(N)CCCC1[N+](=O)[O-]	687728471	571905182	/nfs/dbraw/zinc/90/51/82/571905182.db2.gz	DRLSLDFCGAKKLO-XINAWCOVSA-N	0	3	173.172	-1.002	10	5		AABEHN
NC(=O)[C@]1(N)CCCC1[N+](=O)[O-]	687728469	571905638	/nfs/dbraw/zinc/90/56/38/571905638.db2.gz	DRLSLDFCGAKKLO-NJGYIYPDSA-N	0	3	173.172	-1.002	10	5		AABEHN
N[C@](CCC[NH3+])(C[N+](=O)[O-])C(=O)[O-]	687728382	571906768	/nfs/dbraw/zinc/90/67/68/571906768.db2.gz	XCEYGTLWNGYTOJ-ZCFIWIBFSA-N	0	3	191.187	-1.216	10	5		AABEHN
NC(=O)[C@@]1(N)CCCC1[N+](=O)[O-]	687728470	571907086	/nfs/dbraw/zinc/90/70/86/571907086.db2.gz	DRLSLDFCGAKKLO-UJURSFKZSA-N	0	3	173.172	-1.002	10	5		AABEHN
NC(=O)[C@@]1(N)CCCC1[N+](=O)[O-]	687728468	571907140	/nfs/dbraw/zinc/90/71/40/571907140.db2.gz	DRLSLDFCGAKKLO-INEUFUBQSA-N	0	3	173.172	-1.002	10	5		AABEHN
N[C@@](CCC[NH3+])(C[N+](=O)[O-])C(=O)[O-]	687759072	571958798	/nfs/dbraw/zinc/95/87/98/571958798.db2.gz	XCEYGTLWNGYTOJ-LURJTMIESA-N	0	3	191.187	-1.216	10	5		AABEHN
C[C@@]1(O)C([N+](=O)[O-])CC[C@@H](O)[C@H]1O	687762747	571966712	/nfs/dbraw/zinc/96/67/12/571966712.db2.gz	UXFZAIVGNZSLEO-XZBKPIIZSA-N	0	3	191.183	-1.102	10	5		AABEHN
C[C@@]1(O)C([N+](=O)[O-])CC[C@@H](O)[C@H]1O	687762745	571966111	/nfs/dbraw/zinc/96/61/11/571966111.db2.gz	UXFZAIVGNZSLEO-DBRKOABJSA-N	0	3	191.183	-1.102	10	5		AABEHN
C[C@@]1(O)C([N+](=O)[O-])CC[C@H](O)[C@H]1O	687762744	571966794	/nfs/dbraw/zinc/96/67/94/571966794.db2.gz	UXFZAIVGNZSLEO-BDVNFPICSA-N	0	3	191.183	-1.102	10	5		AABEHN
C[C@@]1(O)C([N+](=O)[O-])CC[C@H](O)[C@H]1O	687762746	571967132	/nfs/dbraw/zinc/96/71/32/571967132.db2.gz	UXFZAIVGNZSLEO-VWDOSNQTSA-N	0	3	191.183	-1.102	10	5		AABEHN