smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc([O-])cc([O-])c3c(=O)c21	ZINC000003980114	204117425	/nfs/dbraw/zinc/11/74/25/204117425.db2.gz	VHNPAPHWKVLGHG-HNNXBMFYSA-N	-2	3	352.342	3.977	10	0	endogenous,in-man	FHAEHL
CC1(C)C=Cc2c(O)c(-c3coc4cc([O-])cc([O-])c4c3=O)ccc2O1	ZINC000005762063	204224479	/nfs/dbraw/zinc/22/44/79/204224479.db2.gz	KIZPADOTOCPASX-UHFFFAOYSA-N	-2	3	352.342	3.761	10	0	biogenic,in-vitro	FHAEHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1	ZINC000226354467	206122464	/nfs/dbraw/zinc/12/24/64/206122464.db2.gz	WJTDYZMUELLNMD-UHFFFAOYSA-N	-2	3	360.218	3.801	10	0		FHAEHL
CC(C)(C)c1cc(OCC(=O)[O-])nc([N-]c2c(F)c(F)cc(F)c2F)n1	ZINC000073702187	205033402	/nfs/dbraw/zinc/03/34/02/205033402.db2.gz	RLBKOYMJUJPMMM-UHFFFAOYSA-N	-2	3	373.306	3.538	10	0		FHAEHL
O=C([O-])COC(=O)Cc1ccccc1Nc1c(Cl)cc([O-])cc1Cl	ZINC000022060271	570938318	/nfs/dbraw/zinc/93/83/18/570938318.db2.gz	BTDFYMBLEDMWOK-UHFFFAOYSA-N	-2	3	370.188	3.613	10	0	in-vitro	FHAEHL
COc1ccc(-c2nnc([N-]c3nc([O-])c(-c4ccccc4)s3)o2)cc1	ZINC000033895818	210246737	/nfs/dbraw/zinc/24/67/37/210246737.db2.gz	DCHXXIJNUIESNV-CQSZACIVSA-N	-2	3	366.402	3.528	10	0		FHAEHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccccc2)o1)c1c(C)[n-][nH]c1=O	ZINC000096193525	222070922	/nfs/dbraw/zinc/07/09/22/222070922.db2.gz	RFXSOSIJUGZXHS-UHFFFAOYSA-N	-2	3	350.378	3.601	10	0		FHAEHL
CCCCOc1ccccc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000096193547	222071390	/nfs/dbraw/zinc/07/13/90/222071390.db2.gz	KBMYUMNNVGDPHK-UHFFFAOYSA-N	-2	3	356.426	3.520	10	0		FHAEHL
COc1ccc(-c2nnc([N-]c3nc([O-])c(-c4ccccc4)s3)o2)cc1	ZINC000033895817	210244812	/nfs/dbraw/zinc/24/48/12/210244812.db2.gz	DCHXXIJNUIESNV-AWEZNQCLSA-N	-2	3	366.402	3.528	10	0		FHAEHL
Nc1cccc(-c2nc3ccc4c([O-])cc(S(=O)(=O)[O-])cc4c3s2)c1	ZINC000001603042	210361811	/nfs/dbraw/zinc/36/18/11/210361811.db2.gz	GSHJCYVVFAXVOS-UHFFFAOYSA-N	-2	3	372.427	3.651	10	0		FHAEHL
CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3cc([O-])cc([O-])c3c(=O)c21	ZINC000000595402	291075304	/nfs/dbraw/zinc/07/53/04/291075304.db2.gz	VHNPAPHWKVLGHG-OAHLLOKOSA-N	-2	3	352.342	3.977	10	0	endogenous,in-man	FHAEHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(C)cc(C(C)(C)C)c1O	ZINC000096193524	222071384	/nfs/dbraw/zinc/07/13/84/222071384.db2.gz	ODPKRUZNFCZZRB-UHFFFAOYSA-N	-2	3	370.453	3.653	10	0		FHAEHL
[O-]c1ccc(Br)cc1C=Cn1c(=S)[n-]nc1C(F)(F)F	ZINC000334163052	223133583	/nfs/dbraw/zinc/13/35/83/223133583.db2.gz	VINVMXMMLRJFMP-ONEGZZNKSA-N	-2	3	366.162	3.682	10	0		FHAEHL
COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)c1[O-]	ZINC000020134807	220314064	/nfs/dbraw/zinc/31/40/64/220314064.db2.gz	DAUXNUWUHIKNIU-UHFFFAOYSA-N	-2	3	361.357	3.704	10	0		FHAEHL