smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#[N+]CC(=O)[C@H]1CCC[NH2+]C1	259346210	573144320	/nfs/dbraw/zinc/14/43/20/573144320.db2.gz	PGOXRHVZWWTCHT-LURJTMIESA-N	2	1	153.185	-0.144	10	10		ABCEMP
N#[N+]CC(=O)[C@@H]1CCC[NH2+]C1	259346212	573147328	/nfs/dbraw/zinc/14/73/28/573147328.db2.gz	PGOXRHVZWWTCHT-ZCFIWIBFSA-N	2	1	153.185	-0.144	10	10		ABCEMP
[NH3+]Cc1cc(C[NH3+])c(O)c(C[NH3+])c1	101445282	573868292	/nfs/dbraw/zinc/86/82/92/573868292.db2.gz	DPDQQGBQYIBXDX-UHFFFAOYSA-N	3	1	181.239	-0.232	10	10		ABCEMP