smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1=C[C@H](O[P@@](=O)([O-])O)[C@@H](O)[C@@H](O)C1	ZINC000104861431	304035944	/nfs/dbraw/zinc/03/59/44/304035944.db2.gz	QYOJSKGCWNAKGW-ZLUOBGJFSA-N	-2	2	254.131	-1.399	10	0		CAAELL
O=C([O-])C1=C[C@H](O[P@](=O)([O-])O)[C@@H](O)[C@@H](O)C1	ZINC000104861431	304035946	/nfs/dbraw/zinc/03/59/46/304035946.db2.gz	QYOJSKGCWNAKGW-ZLUOBGJFSA-N	-2	2	254.131	-1.399	10	0		CAAELL
O=C([O-])C1=C[C@H](O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)C1	ZINC000012504304	304035899	/nfs/dbraw/zinc/03/58/99/304035899.db2.gz	QYOJSKGCWNAKGW-HCWXCVPCSA-N	-2	2	254.131	-1.399	10	0	in-vivo	CAAELL
O=C([O-])C1=C[C@H](O[P@](=O)([O-])O)[C@H](O)[C@@H](O)C1	ZINC000012504304	304035902	/nfs/dbraw/zinc/03/59/02/304035902.db2.gz	QYOJSKGCWNAKGW-HCWXCVPCSA-N	-2	2	254.131	-1.399	10	0	in-vivo	CAAELL
C[C@H]([NH2+]N[C@@H](CC(=O)[O-])C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000095938287	299325654	/nfs/dbraw/zinc/32/56/54/299325654.db2.gz	UNVXGMMECKPPHE-ZLUOBGJFSA-N	-3	2	292.244	-1.428	10	0		CAAELL
C[C@@H]([NH2+]N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000095938286	296136232	/nfs/dbraw/zinc/13/62/32/296136232.db2.gz	UNVXGMMECKPPHE-PBXRRBTRSA-N	-3	2	292.244	-1.428	10	0		CAAELL
O=C([O-])[C@]1(O)C[C@@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000013435443	373802710	/nfs/dbraw/zinc/80/27/10/373802710.db2.gz	QOYBDYMPWLOFKG-GZFNIDBVSA-N	-2	2	288.145	-2.620	10	0		CAAELL
O=C([O-])[C@]1(O)C[C@@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000013435443	373802719	/nfs/dbraw/zinc/80/27/19/373802719.db2.gz	QOYBDYMPWLOFKG-GZFNIDBVSA-N	-2	2	288.145	-2.620	10	0		CAAELL
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000022055603	171351383	/nfs/dbraw/zinc/35/13/83/171351383.db2.gz	QOYBDYMPWLOFKG-YCHQMNKZSA-N	-2	2	288.145	-2.620	10	0	in-vitro	CAAELL
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000022055603	171351385	/nfs/dbraw/zinc/35/13/85/171351385.db2.gz	QOYBDYMPWLOFKG-YCHQMNKZSA-N	-2	2	288.145	-2.620	10	0	in-vitro	CAAELL
O=C([O-])CN(CC[N@@H+](CO)CC(=O)[O-])CC(=O)[O-]	ZINC000022591052	171393326	/nfs/dbraw/zinc/39/33/26/171393326.db2.gz	WWXISJJRNIVDIP-UHFFFAOYSA-N	-2	2	264.234	-2.206	10	0		CAAELL
O=C([O-])CN(CC[N@H+](CO)CC(=O)[O-])CC(=O)[O-]	ZINC000022591052	171393328	/nfs/dbraw/zinc/39/33/28/171393328.db2.gz	WWXISJJRNIVDIP-UHFFFAOYSA-N	-2	2	264.234	-2.206	10	0		CAAELL
CC(N(CO)CO)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000038634847	174150054	/nfs/dbraw/zinc/15/00/54/174150054.db2.gz	QXVJRDMNUOAUNI-UHFFFAOYSA-N	-2	2	265.095	-1.783	10	0		CAAELL
CC(N(CO)CO)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000038634847	174150056	/nfs/dbraw/zinc/15/00/56/174150056.db2.gz	QXVJRDMNUOAUNI-UHFFFAOYSA-N	-2	2	265.095	-1.783	10	0		CAAELL
O=C([O-])C1=C[C@H](O[P@@](=O)([O-])O)[C@@H](O)[C@H](O)C1	ZINC000022066495	304035849	/nfs/dbraw/zinc/03/58/49/304035849.db2.gz	QYOJSKGCWNAKGW-SRQIZXRXSA-N	-2	2	254.131	-1.399	10	0		CAAELL
O=C([O-])C1=C[C@H](O[P@](=O)([O-])O)[C@@H](O)[C@H](O)C1	ZINC000022066495	304035850	/nfs/dbraw/zinc/03/58/50/304035850.db2.gz	QYOJSKGCWNAKGW-SRQIZXRXSA-N	-2	2	254.131	-1.399	10	0		CAAELL
C[C@H]([NH2+]N[C@H](CC(=O)[O-])C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000257353905	372956843	/nfs/dbraw/zinc/95/68/43/372956843.db2.gz	UNVXGMMECKPPHE-HCWXCVPCSA-N	-3	2	292.244	-1.428	10	0		CAAELL
C[C@H]([NH2+]N[C@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000257353906	372957549	/nfs/dbraw/zinc/95/75/49/372957549.db2.gz	UNVXGMMECKPPHE-KVQBGUIXSA-N	-3	2	292.244	-1.428	10	0		CAAELL
O=C([O-])[C@@](O)(CO[P@@](=O)([O-])O)[C@H](O)[C@H](O)CO	ZINC000005132041	170069661	/nfs/dbraw/zinc/06/96/61/170069661.db2.gz	UJTMIRNFEXKGMS-ZMIZWQJLSA-N	-2	2	276.134	-3.375	10	0	in-vitro	CAAELL
O=C([O-])[C@@](O)(CO[P@](=O)([O-])O)[C@H](O)[C@H](O)CO	ZINC000005132041	170069662	/nfs/dbraw/zinc/06/96/62/170069662.db2.gz	UJTMIRNFEXKGMS-ZMIZWQJLSA-N	-2	2	276.134	-3.375	10	0	in-vitro	CAAELL
O=C([O-])C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001530031	560181322	/nfs/dbraw/zinc/18/13/22/560181322.db2.gz	PJWIPEXIFFQAQZ-PUFIMZNGSA-N	-2	2	288.145	-2.778	10	0	in-vitro,metabolite	CAAELL
O=C([O-])C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001530031	560181323	/nfs/dbraw/zinc/18/13/23/560181323.db2.gz	PJWIPEXIFFQAQZ-PUFIMZNGSA-N	-2	2	288.145	-2.778	10	0	in-vitro,metabolite	CAAELL
O=C([O-])[C@@H](O)C(=O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869562	560190533	/nfs/dbraw/zinc/19/05/33/560190533.db2.gz	BDUIIKXSXFDPEC-LWKDLAHASA-N	-2	2	274.118	-3.168	10	0	in-vitro,metabolite	CAAELL
O=C([O-])[C@@H](O)C(=O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869562	560190534	/nfs/dbraw/zinc/19/05/34/560190534.db2.gz	BDUIIKXSXFDPEC-LWKDLAHASA-N	-2	2	274.118	-3.168	10	0	in-vitro,metabolite	CAAELL
O=C([O-])C[C@@H](O)[C@H](O)C(=O)CO[P@](=O)([O-])O	ZINC000001529963	574411188	/nfs/dbraw/zinc/41/11/88/574411188.db2.gz	OLUPOJQIFXQXIT-CVYQJGLWSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-vitro	CAAELL
O=C([O-])C[C@@H](O)[C@H](O)C(=O)CO[P@@](=O)([O-])O	ZINC000001529963	574411187	/nfs/dbraw/zinc/41/11/87/574411187.db2.gz	OLUPOJQIFXQXIT-CVYQJGLWSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-vitro	CAAELL
O=C([O-])[C@]1(O)C[C@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000013435442	260071157	/nfs/dbraw/zinc/07/11/57/260071157.db2.gz	QOYBDYMPWLOFKG-FZTZQNQQSA-N	-2	2	288.145	-2.620	10	0		CAAELL
O=C([O-])[C@]1(O)C[C@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000013435442	260071158	/nfs/dbraw/zinc/07/11/58/260071158.db2.gz	QOYBDYMPWLOFKG-FZTZQNQQSA-N	-2	2	288.145	-2.620	10	0		CAAELL
CC(=O)N[C@@H](CCC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001529865	571680143	/nfs/dbraw/zinc/68/01/43/571680143.db2.gz	FCVIHFVSXHOPSW-YFKPBYRVSA-N	-2	2	269.146	-1.008	10	0	endogenous,in-man	CAAELL
CC(=O)N[C@@H](CCC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000001529865	571680144	/nfs/dbraw/zinc/68/01/44/571680144.db2.gz	FCVIHFVSXHOPSW-YFKPBYRVSA-N	-2	2	269.146	-1.008	10	0	endogenous,in-man	CAAELL
C[C@H]([NH2+]N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000095938285	299325203	/nfs/dbraw/zinc/32/52/03/299325203.db2.gz	UNVXGMMECKPPHE-JKUQZMGJSA-N	-3	2	292.244	-1.428	10	0		CAAELL
C[C@@H]([NH2+]N[C@@H](CC(=O)[O-])C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000095938288	296136398	/nfs/dbraw/zinc/13/63/98/296136398.db2.gz	UNVXGMMECKPPHE-SRQIZXRXSA-N	-3	2	292.244	-1.428	10	0		CAAELL
O=C([O-])[C@]1(O)C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000077286797	304214732	/nfs/dbraw/zinc/21/47/32/304214732.db2.gz	QOYBDYMPWLOFKG-CXXDYQFHSA-N	-2	2	288.145	-2.620	10	0	in-vitro	CAAELL
O=C([O-])[C@]1(O)C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000077286797	304214733	/nfs/dbraw/zinc/21/47/33/304214733.db2.gz	QOYBDYMPWLOFKG-CXXDYQFHSA-N	-2	2	288.145	-2.620	10	0	in-vitro	CAAELL
CNC(=O)N(C)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000038633971	174150213	/nfs/dbraw/zinc/15/02/13/174150213.db2.gz	HUHUIXFOXUATES-UHFFFAOYSA-N	-2	2	262.095	-1.103	10	0		CAAELL
CNC(=O)N(C)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000038633971	174150214	/nfs/dbraw/zinc/15/02/14/174150214.db2.gz	HUHUIXFOXUATES-UHFFFAOYSA-N	-2	2	262.095	-1.103	10	0		CAAELL
O=C([O-])C(=O)C[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001529166	574411138	/nfs/dbraw/zinc/41/11/38/574411138.db2.gz	OVPRPPOVAXRCED-NQXXGFSBSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-vitro	CAAELL
O=C([O-])C(=O)C[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001529166	574411139	/nfs/dbraw/zinc/41/11/39/574411139.db2.gz	OVPRPPOVAXRCED-NQXXGFSBSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-vitro	CAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000069480546	574415443	/nfs/dbraw/zinc/41/54/43/574415443.db2.gz	BIRSGZKFKXLSJQ-NEEWWZBLSA-N	-2	2	276.134	-3.376	10	0	endogenous,in-vitro	CAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000069480546	574415444	/nfs/dbraw/zinc/41/54/44/574415444.db2.gz	BIRSGZKFKXLSJQ-NEEWWZBLSA-N	-2	2	276.134	-3.376	10	0	endogenous,in-vitro	CAAELL
O=C([O-])C(=O)C[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001529165	571680161	/nfs/dbraw/zinc/68/01/61/571680161.db2.gz	OVPRPPOVAXRCED-WVZVXSGGSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-man	CAAELL
O=C([O-])C(=O)C[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001529165	571680164	/nfs/dbraw/zinc/68/01/64/571680164.db2.gz	OVPRPPOVAXRCED-WVZVXSGGSA-N	-2	2	258.119	-2.139	10	0	endogenous,in-man	CAAELL