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)nc(N)[nH]c1=O	12652142	166207203	/nfs/dbraw/zinc/20/72/03/166207203.db2.gz	SIEHFUXYYSUSQG-UHFFFAOYSA-N	-2	1	167.168	-0.214	50	30		ABEAML
CC(=N[O-])C(=O)NCC(=O)[O-]	254304974	166230559	/nfs/dbraw/zinc/23/05/59/166230559.db2.gz	XFGJGGZAHMFYOF-UHFFFAOYSA-N	-2	1	160.129	-0.963	50	30		ABEAML
Nc1no[n-]c1=NN=CC(=O)[O-]	4486252	169311842	/nfs/dbraw/zinc/31/18/42/169311842.db2.gz	UQPDXQJULJLKPB-LZCJLJQNSA-N	-2	1	171.116	-0.866	50	30		ABEAML
[O-]/N=C(\[O-])c1nonc1/C=N/[O-]	6373449	171019940	/nfs/dbraw/zinc/01/99/40/171019940.db2.gz	LTUWZJQPTAOLPX-ORCRQEGFSA-N	-3	1	172.100	-0.429	50	30		ABEAML
[O-]/N=C/c1nonc1/C([O-])=N/O	6373449	171019943	/nfs/dbraw/zinc/01/99/43/171019943.db2.gz	LTUWZJQPTAOLPX-ORCRQEGFSA-N	-2	1	172.100	-0.429	50	30		ABEAML
C[C@H]1O[C@H]1P(=O)([O-])[O-]	1722376	342962408	/nfs/dbraw/zinc/96/24/08/342962408.db2.gz	YMDXZJFXQJVXBF-GBXIJSLDSA-N	-2	1	138.059	-0.091	50	30	biogenic,in-man	ABEAML
C[C@H]1O[C@@H]1P(=O)([O-])[O-]	1722374	342962540	/nfs/dbraw/zinc/96/25/40/342962540.db2.gz	YMDXZJFXQJVXBF-PWNYCUMCSA-N	-2	1	138.059	-0.091	50	30	in-man	ABEAML
C[C@@H]1O[C@@H]1[P@](=O)([O-])O	1530427	351286327	/nfs/dbraw/zinc/28/63/27/351286327.db2.gz	YMDXZJFXQJVXBF-STHAYSLISA-N	-2	1	138.059	-0.091	50	30	fda,metabolite	ABEAML
C[C@@H]1O[C@@H]1P(=O)([O-])[O-]	1530427	351286329	/nfs/dbraw/zinc/28/63/29/351286329.db2.gz	YMDXZJFXQJVXBF-STHAYSLISA-N	-2	1	138.059	-0.091	50	30	fda,metabolite	ABEAML
C[C@@H]1O[C@H]1P(=O)([O-])[O-]	1722375	351297701	/nfs/dbraw/zinc/29/77/01/351297701.db2.gz	YMDXZJFXQJVXBF-HRFVKAFMSA-N	-2	1	138.059	-0.091	50	30	in-man,metabolite	ABEAML
N#Cc1c([O-])nc[n-]c1=O	306872201	573256908	/nfs/dbraw/zinc/25/69/08/573256908.db2.gz	ZTTZQYHGZCMWPG-UHFFFAOYSA-N	-2	1	137.098	-0.241	50	30		ABEAML