smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2O[C@H](CO)[C@H](N=[N+]=[N-])[C@@H]2O)c(=O)[nH]c1=O	ZINC000006069521	170173825	/nfs/dbraw/zinc/17/38/25/170173825.db2.gz	DVRKESVZZVYJRB-UTSKPXGSSA-N	0	0	283.244	-1.225	1	10		CACFRN
[N-]=[N+]=N[C@H](Cn1cnc2c1nc(N)[nH]c2=O)[C@H](O)CO	ZINC000026493531	171488116	/nfs/dbraw/zinc/48/81/16/171488116.db2.gz	HLYUQTKSZACKFO-RFZPGFLSSA-N	0	0	280.248	-1.266	1	10		CACFRN
[N-]=[N+]=N[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)[C@H](O)CO	ZINC000026493534	171488187	/nfs/dbraw/zinc/48/81/87/171488187.db2.gz	HLYUQTKSZACKFO-CRCLSJGQSA-N	0	0	280.248	-1.266	1	10		CACFRN
[N-]=[N+]=NC[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000072132884	176321537	/nfs/dbraw/zinc/32/15/37/176321537.db2.gz	AQOQHPBAANKLDF-XLPZGREQSA-N	0	0	283.244	-1.012	1	10		CACFRN
C[N+](=O)[N-]CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100611631	560052597	/nfs/dbraw/zinc/05/25/97/560052597.db2.gz	YHLRMABUJXBLCK-LBCXAKKBSA-N	0	0	252.223	-2.647	1	10	biogenic,in-vitro	CACFRN
CC(=O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)N(O)[C@@H]1O	ZINC000008565624	574412945	/nfs/dbraw/zinc/41/29/45/574412945.db2.gz	QBHQZPRDJMYEDG-MRVPVSSYSA-N	0	0	267.201	-1.890	1	10	endogenous,in-vitro	CACFRN
Cc1cn([C@@H]2O[C@H](CO)[C@H](N=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O	ZINC000029309169	171593002	/nfs/dbraw/zinc/59/30/02/171593002.db2.gz	DVRKESVZZVYJRB-JVZYCSMKSA-N	0	0	283.244	-1.225	1	10		CACFRN
C[N+](=O)[N-]CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100257520	560053361	/nfs/dbraw/zinc/05/33/61/560053361.db2.gz	YHLRMABUJXBLCK-UIAUGNHASA-N	0	0	252.223	-2.647	1	10	endogenous,in-man	CACFRN
O=C(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1	ZINC000006091830	170175026	/nfs/dbraw/zinc/17/50/26/170175026.db2.gz	VWQASRWQZBVNEI-KLBPJQLPSA-N	0	0	286.236	-1.306	1	10	biogenic,in-vitro	CACFRN
[N-]=[N+]=N[C@H]1[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO	ZINC000006524840	170209943	/nfs/dbraw/zinc/20/99/43/170209943.db2.gz	WQBCHXWMHQMQKW-CCXZUQQUSA-N	0	0	269.217	-1.534	1	10		CACFRN
C[N+](=O)[N-]CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013532273	560218751	/nfs/dbraw/zinc/21/87/51/560218751.db2.gz	YHLRMABUJXBLCK-IRCVIWNGSA-N	0	0	252.223	-2.647	1	10	in-vitro	CACFRN
C[N+](=O)[N-]CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100257523	560053370	/nfs/dbraw/zinc/05/33/70/560053370.db2.gz	YHLRMABUJXBLCK-YQXRAVKXSA-N	0	0	252.223	-2.647	1	10	endogenous,in-man	CACFRN
CC(=O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)N(O)[C@H]1O	ZINC000095099889	574416995	/nfs/dbraw/zinc/41/69/95/574416995.db2.gz	QBHQZPRDJMYEDG-QMMMGPOBSA-N	0	0	267.201	-1.890	1	10	endogenous,in-man	CACFRN