smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC/C=N\CCCC[NH3+]	307773249	572490462	/nfs/dbraw/zinc/49/04/62/572490462.db2.gz	LCXSEVFWDVGICR-XFFZJAGNSA-N	2	3	157.261	0.535	10	30		ACEEHP
C=CCN(CCC[NH3+])CCCC[NH3+]	238560349	572820060	/nfs/dbraw/zinc/82/00/60/572820060.db2.gz	FRBJOQVNTCPZPP-UHFFFAOYSA-N	2	3	185.315	0.562	10	30		ACEEHP
[NH3+]CCC/C=N/CCCC[NH3+]	238563635	572821453	/nfs/dbraw/zinc/82/14/53/572821453.db2.gz	LCXSEVFWDVGICR-YRNVUSSQSA-N	2	3	157.261	0.535	10	30		ACEEHP
C=CC[NH+]1CCC(CN)(C[NH3+])CC1	259468581	573487369	/nfs/dbraw/zinc/48/73/69/573487369.db2.gz	XUQMCCWAPUGKSK-UHFFFAOYSA-N	2	3	183.299	0.172	10	30		ACEEHP