smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](CCC(=O)[O-])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617720	185015933	/nfs/dbraw/zinc/01/59/33/185015933.db2.gz	UDXGQZURTGBEOD-RITPCOANSA-N	0	2	275.261	-1.987	1	0	endogenous,in-man	CAAFLN
Nc1ncn(CC=C2OC(=O)C(O)=C2O)c(=O)n1	ZINC000072170783	176333337	/nfs/dbraw/zinc/33/33/37/176333337.db2.gz	MTGUFNNLEWBDGC-RJRFIUFISA-N	0	2	252.186	-1.011	1	0		CAAFLN
O=C([O-])[C@@H]1C[NH2+][C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H]1O	ZINC000256004826	190001129	/nfs/dbraw/zinc/00/11/29/190001129.db2.gz	UOPZEWVVILIZJY-TXICZTDVSA-N	0	2	272.179	-1.983	1	0		CAAFLN
O=C([O-])[C@@H]1C[NH2+][C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H]1O	ZINC000256004825	190001412	/nfs/dbraw/zinc/00/14/12/190001412.db2.gz	UOPZEWVVILIZJY-KKQCNMDGSA-N	0	2	272.179	-1.983	1	0		CAAFLN
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869332	560190508	/nfs/dbraw/zinc/19/05/08/560190508.db2.gz	OBQMLSFOUZUIOB-YIQPVQCUSA-N	0	2	286.177	-3.383	1	0	in-vitro	CAAFLN
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869332	560190509	/nfs/dbraw/zinc/19/05/09/560190509.db2.gz	OBQMLSFOUZUIOB-YIQPVQCUSA-N	0	2	286.177	-3.383	1	0	in-vitro	CAAFLN
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869334	560190536	/nfs/dbraw/zinc/19/05/36/560190536.db2.gz	OBQMLSFOUZUIOB-HTPUFBNKSA-N	0	2	286.177	-3.383	1	0	in-vitro	CAAFLN
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869334	560190537	/nfs/dbraw/zinc/19/05/37/560190537.db2.gz	OBQMLSFOUZUIOB-HTPUFBNKSA-N	0	2	286.177	-3.383	1	0	in-vitro	CAAFLN
[NH3+][C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003870804	560190841	/nfs/dbraw/zinc/19/08/41/560190841.db2.gz	LBNVXZROMBUNNQ-KVTDHHQDSA-N	0	2	261.167	-3.502	1	0	in-vitro,metabolite	CAAFLN
[NH3+][C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003870804	560190842	/nfs/dbraw/zinc/19/08/42/560190842.db2.gz	LBNVXZROMBUNNQ-KVTDHHQDSA-N	0	2	261.167	-3.502	1	0	in-vitro,metabolite	CAAFLN
[NH3+][C@H](CCC(=O)NC(=O)[C@H]([NH3+])CCC(=O)[O-])C(=O)[O-]	ZINC000095617722	185015972	/nfs/dbraw/zinc/01/59/72/185015972.db2.gz	UDXGQZURTGBEOD-PHDIDXHHSA-N	0	2	275.261	-1.987	1	0	endogenous,in-man	CAAFLN
[NH3+][C@@H](CCC(=O)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)[O-]	ZINC000095617721	185016073	/nfs/dbraw/zinc/01/60/73/185016073.db2.gz	UDXGQZURTGBEOD-WDSKDSINSA-N	0	2	275.261	-1.987	1	0	endogenous,in-man	CAAFLN
[NH3+][C@H](CCC(=O)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)[O-]	ZINC000095617723	185016413	/nfs/dbraw/zinc/01/64/13/185016413.db2.gz	UDXGQZURTGBEOD-NTSWFWBYSA-N	0	2	275.261	-1.987	1	0	endogenous,in-man	CAAFLN
O=c1cnn([C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000005605666	170118904	/nfs/dbraw/zinc/11/89/04/170118904.db2.gz	XZRDFSAXRHHVPX-PNKGULFTSA-N	0	2	275.217	-4.096	1	0		CAAFLN
COc1nc(N)c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000005888450	170150281	/nfs/dbraw/zinc/15/02/81/170150281.db2.gz	KWNLCXYORSLHIP-HFXAWCPLSA-N	0	2	288.260	-2.788	1	0		CAAFLN
COc1nc(N)c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000005888470	170150499	/nfs/dbraw/zinc/15/04/99/170150499.db2.gz	KWNLCXYORSLHIP-FULWYAMNSA-N	0	2	288.260	-2.788	1	0		CAAFLN
O=C([O-])[C@H]1C[NH2+][C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H]1O	ZINC000038440550	174142101	/nfs/dbraw/zinc/14/21/01/174142101.db2.gz	UOPZEWVVILIZJY-QTBDOELSSA-N	0	2	272.179	-1.983	1	0		CAAFLN
[NH3+][C@@H](CO)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003870801	560190869	/nfs/dbraw/zinc/19/08/69/560190869.db2.gz	LBNVXZROMBUNNQ-BGPJRJDNSA-N	0	2	261.167	-3.502	1	0	in-vitro,metabolite	CAAFLN
[NH3+][C@@H](CO)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003870801	560190870	/nfs/dbraw/zinc/19/08/70/560190870.db2.gz	LBNVXZROMBUNNQ-BGPJRJDNSA-N	0	2	261.167	-3.502	1	0	in-vitro,metabolite	CAAFLN
COc1nc(N)c(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000031897036	171655796	/nfs/dbraw/zinc/65/57/96/171655796.db2.gz	KWNLCXYORSLHIP-FJFJXFQQSA-N	0	2	288.260	-2.788	1	0		CAAFLN
[NH3+][C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@H]1O[P@@](=O)([O-])O	ZINC000003869947	560190569	/nfs/dbraw/zinc/19/05/69/560190569.db2.gz	YMJBYRVFGYXULK-YJRYQGEOSA-N	0	2	259.151	-3.138	1	0	in-vitro,metabolite	CAAFLN
[NH3+][C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@H]1O[P@](=O)([O-])O	ZINC000003869947	560190570	/nfs/dbraw/zinc/19/05/70/560190570.db2.gz	YMJBYRVFGYXULK-YJRYQGEOSA-N	0	2	259.151	-3.138	1	0	in-vitro,metabolite	CAAFLN
O=C1Cc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2NC=N1	ZINC000004095834	560193617	/nfs/dbraw/zinc/19/36/17/560193617.db2.gz	RMYCRPUHGBJDGW-PNHWDRBUSA-N	0	2	282.256	-1.983	1	0	in-vitro	CAAFLN