smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	1659924	169159255	/nfs/dbraw/zinc/15/92/55/169159255.db2.gz	DXOJUCNAHCVBRU-LURJTMIESA-N	0	3	196.206	-0.547	40	10		ABCBHN
NC(=O)[C@H](N)Cc1ccc(O)c(O)c1	6525104	169161969	/nfs/dbraw/zinc/16/19/69/169161969.db2.gz	DXOJUCNAHCVBRU-ZCFIWIBFSA-N	0	3	196.206	-0.547	40	10		ABCBHN
N#[N+]C=C([O-])CC[C@@H]([NH3+])C(=O)[O-]	4521368	171013219	/nfs/dbraw/zinc/01/32/19/171013219.db2.gz	YCWQAMGASJSUIP-RXMQYKEDSA-N	0	3	171.156	-0.952	40	10	in-vitro	ABCBHN
COC(=O)c1c(C(=O)OC)c1=[N+]=[N-]	5409708	207351488	/nfs/dbraw/zinc/35/14/88/207351488.db2.gz	ZDPNAWRETCZMPR-UHFFFAOYSA-N	0	3	182.135	-0.734	40	10		ABCBHN
N#[N+]C=C([O-])CCC([O-])=C[N+]#N	5370960	351342800	/nfs/dbraw/zinc/34/28/00/351342800.db2.gz	YRDXWCJQMHHUTN-UHFFFAOYSA-N	0	3	166.140	-0.494	40	10		ABCBHN