smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2nnn[n-]2)oc2c(/C=C/c3ccc(OCCCCc4ccccc4)cc3)cccc12	ZINC000002004569	554008855	/nfs/dbraw/zinc/00/88/55/554008855.db2.gz	KBTDCXSSQDGWLL-NTCAYCPXSA-N	-1	0	464.525	5.545	20	0		JKADRM
Cc1c2c(cc(OCc3cccc(-c4ccc(C(=O)[O-])cc4)c3)c1C)C(=O)[C@@H](C1CCCC1)C2	ZINC000087493317	525933085	/nfs/dbraw/zinc/93/30/85/525933085.db2.gz	YBSRSTCXXCFUCT-AREMUKBSSA-N	-1	0	454.566	6.793	20	0		JKADRM
Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	ZINC000040568399	563146283	/nfs/dbraw/zinc/14/62/83/563146283.db2.gz	XBECMWNKXTURNS-UHFFFAOYSA-N	-1	0	470.150	5.586	20	0		JKADRM
CCOc1c(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)c1ccc(C)cc1	ZINC000144555112	569867755	/nfs/dbraw/zinc/86/77/55/569867755.db2.gz	BUGXGZOGQGUTBC-UHFFFAOYSA-N	-1	0	482.330	5.338	20	0		JKADRM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1	ZINC001164892058	721453906	/nfs/dbraw/zinc/45/39/06/721453906.db2.gz	WGIITSLZKLHWSW-UHFFFAOYSA-N	-1	0	459.880	5.118	20	0		JKADRM
C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2cccc(Cl)c2)CCN1C(=O)c1csc2ccccc21	ZINC000200856271	569873983	/nfs/dbraw/zinc/87/39/83/569873983.db2.gz	MPMKMQHJHDHPBE-RUZDIDTESA-N	-1	0	485.005	5.053	20	0	in-vitro	JKADRM
Cc1c2c(cc(OCc3cccc(-c4ccc(C(=O)[O-])cc4)c3)c1C)C(=O)[C@H](C1CCCC1)C2	ZINC000087493316	569718016	/nfs/dbraw/zinc/71/80/16/569718016.db2.gz	YBSRSTCXXCFUCT-SANMLTNESA-N	-1	0	454.566	6.793	20	0		JKADRM
Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1	ZINC000095579219	541107801	/nfs/dbraw/zinc/10/78/01/541107801.db2.gz	PXQUHYSYFWQRMF-LJQANCHMSA-N	-1	0	482.540	5.669	20	0		JKADRM