smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC1C(=O)N=C(C2CC2)N=C1[O-]	66323427	166207163	/nfs/dbraw/zinc/20/71/63/166207163.db2.gz	ZTOIYCPSBBDXHY-UHFFFAOYSA-N	-2	1	192.218	1.081	50	30	in-vitro	ADEAML
O=C([O-])/C=C/C(=O)c1ccc([O-])cc1	12359028	169334174	/nfs/dbraw/zinc/33/41/74/169334174.db2.gz	LQCBGQDCRBYBMK-AATRIKPKSA-N	-2	1	192.170	1.216	50	30		ADEAML
O=C([O-])/C=C\C(=O)c1ccc([O-])cc1	29763511	169335174	/nfs/dbraw/zinc/33/51/74/169335174.db2.gz	LQCBGQDCRBYBMK-WAYWQWQTSA-N	-2	1	192.170	1.216	50	30		ADEAML
O=P([O-])([O-])C#Cc1ccccc1	2556260	351310902	/nfs/dbraw/zinc/31/09/02/351310902.db2.gz	NBUGGOCWWMRVRX-UHFFFAOYSA-N	-2	1	182.115	1.173	50	30		ADEAML
O=[N+]([O-])c1ccc([O-])c(/C=N/[O-])c1	16385656	351380552	/nfs/dbraw/zinc/38/05/52/351380552.db2.gz	DVBKBUGAIYQNOE-XBXARRHUSA-N	-2	1	182.135	1.109	50	30		ADEAML