smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000032086923	291078544	/nfs/dbraw/zinc/07/85/44/291078544.db2.gz	MRVZBYVLLGHZED-VWYCJHECSA-N	-2	3	360.406	3.754	1	0	biogenic,in-vitro	FHAFHL
O=C([O-])c1ccc(Cc2ccc3c(c2O)C(=O)c2c([O-])cccc2C3)cc1	ZINC000013606163	204539429	/nfs/dbraw/zinc/53/94/29/204539429.db2.gz	RTDKVRGMJUYJST-UHFFFAOYSA-N	-2	3	360.365	3.522	1	0		FHAFHL
O=S1(=O)[N-]C(=C([O-])c2ccc(Cl)c(Cl)c2)Sc2ccccc21	ZINC000040872397	205082678	/nfs/dbraw/zinc/08/26/78/205082678.db2.gz	OVOQEXNDAKQWQS-CQSZACIVSA-N	-2	3	374.270	3.586	1	0		FHAFHL
O=S1(=O)[N-]C(=C([O-])c2ccc(Cl)c(Cl)c2)Sc2ccccc21	ZINC000040872398	205083039	/nfs/dbraw/zinc/08/30/39/205083039.db2.gz	OVOQEXNDAKQWQS-AWEZNQCLSA-N	-2	3	374.270	3.586	1	0		FHAFHL
CC(C)=CCC/C(C)=C/CCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000013742035	560220282	/nfs/dbraw/zinc/22/02/82/560220282.db2.gz	JCYZSGYSCXRCHX-UKTHLTGXSA-N	-4	3	354.320	3.921	1	0	in-vitro	FHAFHL
Cc1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc2c(c1)OCCO2	ZINC000004617886	207031954	/nfs/dbraw/zinc/03/19/54/207031954.db2.gz	RTIAXUYLACAMGU-UHFFFAOYSA-N	-2	3	358.781	3.888	1	0		FHAFHL
O=c1[n-]c(-c2cc(Cl)ccc2[O-])nn1-c1ccc(C(F)(F)F)cc1	ZINC000035242361	208121306	/nfs/dbraw/zinc/12/13/06/208121306.db2.gz	ZOOQSLLVAOEAPI-UHFFFAOYSA-N	-2	3	355.703	3.605	1	0		FHAFHL
CC1(C)CCc2c(-c3coc4cc([O-])cc([O-])c4c3=O)ccc(O)c2O1	ZINC000040422168	208252033	/nfs/dbraw/zinc/25/20/33/208252033.db2.gz	CFGUDCVYJGCIHR-UHFFFAOYSA-N	-2	3	354.358	3.680	1	0		FHAFHL
C[C@@H](CC(=O)[O-])c1c2c(c([O-])c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000013407815	291078352	/nfs/dbraw/zinc/07/83/52/291078352.db2.gz	MRVZBYVLLGHZED-GARJFASQSA-N	-2	3	360.406	3.754	1	0	biogenic,in-vitro	FHAFHL
CC1(C)C=Cc2c(cc3occ(-c4ccc([O-])c(C=O)c4)c([O-])c-3c2=O)O1	ZINC000014692068	291075606	/nfs/dbraw/zinc/07/56/06/291075606.db2.gz	IPYCUHYELBKADC-UHFFFAOYSA-N	-2	3	364.353	3.868	1	0	biogenic,in-vitro	FHAFHL
CC1(C)C=Cc2c([O-])c3c(cc2O1)occ(-c1ccc([O-])c(C=O)c1)c3=O	ZINC000014692068	291075607	/nfs/dbraw/zinc/07/56/07/291075607.db2.gz	IPYCUHYELBKADC-UHFFFAOYSA-N	-2	3	364.353	3.868	1	0	biogenic,in-vitro	FHAFHL
CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(C(=O)[O-])c3CC[C@@H]21	ZINC000045364659	208330764	/nfs/dbraw/zinc/33/07/64/208330764.db2.gz	FYNBSODPHHUGIL-PKOBYXMFSA-N	-2	3	357.837	3.678	1	0		FHAFHL
O=S1(=O)[N-]C(=C([O-])c2ccc(Cl)cc2)Sc2cc(Cl)ccc21	ZINC000040380793	208248482	/nfs/dbraw/zinc/24/84/82/208248482.db2.gz	DIKVXFLKJHUGJR-CQSZACIVSA-N	-2	3	374.270	3.586	1	0		FHAFHL
CC1(C)C=Cc2c([O-])c3c(=O)cc(-c4ccc(O)cc4[O-])oc3cc2O1	ZINC000013414436	210181501	/nfs/dbraw/zinc/18/15/01/210181501.db2.gz	LXEJWVDCRDILQQ-UHFFFAOYSA-N	-2	3	352.342	3.761	1	0	endogenous,in-man	FHAFHL
O=S1(=O)[N-]C(=C([O-])c2ccc(Cl)cc2)Sc2cc(Cl)ccc21	ZINC000040380794	211741791	/nfs/dbraw/zinc/74/17/91/211741791.db2.gz	DIKVXFLKJHUGJR-AWEZNQCLSA-N	-2	3	374.270	3.586	1	0		FHAFHL
CCCCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1C	ZINC000014965045	211108890	/nfs/dbraw/zinc/10/88/90/211108890.db2.gz	ZGIITWWNJLBTTF-UHFFFAOYSA-N	-2	3	365.426	3.976	1	0		FHAFHL
CC(C)=CCC/C(C)=C/CCC[C@@H](P(=O)([O-])[O-])[P@](=O)([O-])CO	ZINC000013742084	211055660	/nfs/dbraw/zinc/05/56/60/211055660.db2.gz	MOUIHKXMHOTURX-MAUPQMMJSA-N	-3	3	354.320	3.573	1	0		FHAFHL
CCO[C@@H]1C[C@H](O)C2=C3c4cccc([O-])c4C(=O)C[C@@H]3c3ccc([O-])c1c32	ZINC000082150364	210233250	/nfs/dbraw/zinc/23/32/50/210233250.db2.gz	DSVFBOXMAJTYHV-OAUYIBNBSA-N	-2	3	364.397	3.534	1	0		FHAFHL
C[C@H]1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c21	ZINC000013978763	211065146	/nfs/dbraw/zinc/06/51/46/211065146.db2.gz	KZALYMKORCVHMR-NSHDSACASA-N	-2	3	363.410	3.765	1	0		FHAFHL
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c([O-])cc2[O-])cc1	ZINC000016051845	220177628	/nfs/dbraw/zinc/17/76/28/220177628.db2.gz	BTTFXKUTBNGQTP-UHFFFAOYSA-N	-2	3	371.780	3.596	1	0	in-vivo	FHAFHL
CC1(C)C=Cc2cc(-c3cc(=O)c4c([O-])cc([O-])cc4o3)cc(O)c2O1	ZINC000015119492	291075595	/nfs/dbraw/zinc/07/55/95/291075595.db2.gz	FIKLOAGOJKGOFT-UHFFFAOYSA-N	-2	3	352.342	3.761	1	0	biogenic,in-vitro	FHAFHL
COc1c(C)cc([O-])c(C(=O)c2c([O-])ccc3c2OC(C)(C)C=C3)c1C=O	ZINC000013373323	220066067	/nfs/dbraw/zinc/06/60/67/220066067.db2.gz	MEPDGCUSJWFRRO-UHFFFAOYSA-N	-2	3	368.385	3.643	1	0		FHAFHL
CN(C)Cc1nc(=O)c2sc3ccc(-c4ccc([O-])c(F)c4)cc3c2[n-]1	ZINC000045286312	220968850	/nfs/dbraw/zinc/96/88/50/220968850.db2.gz	RDPIVXMVUFXNIS-UHFFFAOYSA-N	-2	3	369.421	3.711	1	0		FHAFHL
COc1ccc(-c2snnc2-c2cc(Cl)c([O-])cc2[O-])cc1OC	ZINC000040848155	581097444	/nfs/dbraw/zinc/09/74/44/581097444.db2.gz	UTWGFIMJBOZKAO-UHFFFAOYSA-N	-2	3	364.810	3.954	1	0	in-vitro	FHAFHL
O=c1[n-]c(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ccc1[O-]	ZINC000013587047	220077111	/nfs/dbraw/zinc/07/71/11/220077111.db2.gz	PHWHYZMFGGOJEU-UHFFFAOYSA-N	-2	3	355.703	3.605	1	0		FHAFHL
CCCC(=O)Oc1c(OC)cc(=O)c2c([O-])c([O-])c(-c3ccccc3)oc1-2	ZINC000014757311	220131908	/nfs/dbraw/zinc/13/19/08/220131908.db2.gz	HVJUOMVSARTYMR-UHFFFAOYSA-N	-2	3	370.357	3.585	1	0		FHAFHL
CC(C)=CCC/C(C)=C/CCC[C@H](P(=O)([O-])[O-])[P@](=O)([O-])CO	ZINC000013742085	220092670	/nfs/dbraw/zinc/09/26/70/220092670.db2.gz	MOUIHKXMHOTURX-CZAWJFPGSA-N	-3	3	354.320	3.573	1	0		FHAFHL
COc1c(=O)c2c([O-])cc3c(c2oc1-c1ccc([O-])cc1)C(C)(C)[C@H](C)O3	ZINC000014825101	291076952	/nfs/dbraw/zinc/07/69/52/291076952.db2.gz	QJGHPSMBMKFFEE-JTQLQIEISA-N	-2	3	368.385	3.938	1	0	biogenic,in-vitro	FHAFHL
O=S(=O)([O-])c1cc([O-])c2ccc(NC(=S)Nc3ccccc3)cc2c1	ZINC000035274487	220774060	/nfs/dbraw/zinc/77/40/60/220774060.db2.gz	SFBQWHCHMUZBSJ-UHFFFAOYSA-N	-2	3	374.443	3.601	1	0		FHAFHL
COc1c2ccoc2c(OCc2ccc(C(=O)[O-])cc2)c([O-])c1C(C)=O	ZINC000013682383	220084224	/nfs/dbraw/zinc/08/42/24/220084224.db2.gz	GLLMKLUQYCJFDE-UHFFFAOYSA-N	-2	3	356.330	3.627	1	0		FHAFHL