smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCc1c(O)c(C(=O)[O-])c(C)c2c1OC(=O)c1c(C)cc([O-])c(C=O)c1O2	ZINC000001846633	560184997	/nfs/dbraw/zinc/18/49/97/560184997.db2.gz	SPLUKWYWJOQKMJ-UHFFFAOYSA-N	-2	0	402.355	3.087	10	0	in-vitro	HGAERL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(F)cc1	ZINC000100404963	559134889	/nfs/dbraw/zinc/13/48/89/559134889.db2.gz	ISZHSWWOBUOEFV-BUHFOSPRSA-N	-2	0	405.179	3.140	10	0		HGAERL
COc1cc(OCCOc2ccc(/C=C/C(=O)[O-])c(OC)c2)ccc1/C=C/C(=O)[O-]	ZINC000048545571	569358589	/nfs/dbraw/zinc/35/85/89/569358589.db2.gz	OGXDPNXSSNRCRI-NXZHAISVSA-N	-2	0	414.410	3.357	10	0		HGAERL
Cc1cccc2sc(=NNc3ccc(NCCS(=O)(=O)[O-])cc3C(=O)[O-])[nH]c21	ZINC000198755771	569359592	/nfs/dbraw/zinc/35/95/92/569359592.db2.gz	CNNUZTKKVHUPLL-UHFFFAOYSA-N	-2	0	422.488	3.042	10	0		HGAERL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1	ZINC000064843716	569107752	/nfs/dbraw/zinc/10/77/52/569107752.db2.gz	PCCJEWAUASEEBW-UHFFFAOYSA-N	-2	0	403.504	3.379	10	0		HGAERL
Cc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000100404954	559134892	/nfs/dbraw/zinc/13/48/92/559134892.db2.gz	OZZHRRJBERWPMY-CCEZHUSRSA-N	-2	0	401.216	3.310	10	0		HGAERL
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[O-])c3ccccc3c2[O-])cc1	ZINC000021984809	521512975	/nfs/dbraw/zinc/51/29/75/521512975.db2.gz	AOPMEXXIEHHGBR-UHFFFAOYSA-N	-2	0	415.423	3.221	10	0		HGAERL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1	ZINC000064843722	569107730	/nfs/dbraw/zinc/10/77/30/569107730.db2.gz	WTUWRNJXVSHIAP-UHFFFAOYSA-N	-2	0	419.503	3.216	10	0		HGAERL