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-])c1cc(-c2ccc(F)cc2[O-])cc(C(F)(F)F)c1	ZINC000065350216	184326696	/nfs/dbraw/zinc/32/66/96/184326696.db2.gz	NTXRUXMSXLCPHZ-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
O=C([O-])c1cc(-c2cc([O-])cc(F)c2)cc(C(F)(F)F)c1	ZINC000065350188	184326757	/nfs/dbraw/zinc/32/67/57/184326757.db2.gz	QVPFVQQXHWCUTA-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
O=C([O-])c1ccc2ccc(/C=C/c3ccc([O-])cc3)nc2c1O	ZINC000005933152	181297804	/nfs/dbraw/zinc/29/78/04/181297804.db2.gz	DXDQPFWGDWVGIG-LZCJLJQNSA-N	-2	3	307.305	3.515	10	0		DHAEHL
O=C([O-])c1ccc2oc(-c3ccc(Cl)cc3)c([O-])c(=O)c2c1	ZINC000027076280	182461504	/nfs/dbraw/zinc/46/15/04/182461504.db2.gz	OPGIOCSFKZBZTC-UHFFFAOYSA-N	-2	3	316.696	3.517	10	0		DHAEHL
O=C([O-])c1cc(-c2cc(F)ccc2[O-])cc(C(F)(F)F)c1	ZINC000065350240	184326605	/nfs/dbraw/zinc/32/66/05/184326605.db2.gz	HUOBYIBCYHRIRZ-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2ccc(C(=O)[O-])cc2n1	ZINC000004226552	181086516	/nfs/dbraw/zinc/08/65/16/181086516.db2.gz	GVCNQLYDYTUALO-UHFFFAOYSA-N	-2	3	322.320	3.683	10	0		DHAEHL
COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)[O-])cc1[O-]	ZINC000065355103	184328083	/nfs/dbraw/zinc/32/80/83/184328083.db2.gz	XZDINZPXTKJDKW-UHFFFAOYSA-N	-2	3	312.243	3.785	10	0		DHAEHL
O=C([O-])c1cccc(N=Cc2cc(Br)ccc2[O-])c1	ZINC000254429220	961320993	/nfs/dbraw/zinc/32/09/93/961320993.db2.gz	COZKVSWECCNMFH-UHFFFAOYSA-N	-2	3	320.142	3.604	10	0		DHAEHL
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2ccc(C(=O)[O-])cc2n1	ZINC000004226551	181086280	/nfs/dbraw/zinc/08/62/80/181086280.db2.gz	FMNOQZALUUTFRX-UHFFFAOYSA-N	-2	3	322.320	3.683	10	0		DHAEHL
O=C([O-])c1ccc(F)c(-c2cc([O-])cc(C(F)(F)F)c2)c1	ZINC000065344296	184326241	/nfs/dbraw/zinc/32/62/41/184326241.db2.gz	KMGSQONXMQURPX-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
O=C([O-])c1cc(F)cc(-c2cc([O-])cc(C(F)(F)F)c2)c1	ZINC000065344290	184326205	/nfs/dbraw/zinc/32/62/05/184326205.db2.gz	WEPORDOZIMSYSF-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
O=C([O-])c1cc(-c2ccc([O-])c(F)c2)cc(C(F)(F)F)c1	ZINC000065350164	184326385	/nfs/dbraw/zinc/32/63/85/184326385.db2.gz	BYILOZQXTXGFDD-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
O=C([O-])c1ccc(-c2cccc(C(F)(F)F)c2F)c([O-])c1	ZINC000065354823	184327408	/nfs/dbraw/zinc/32/74/08/184327408.db2.gz	BYYPUNDSNVRVON-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc([O-])c1	ZINC000019733673	182139598	/nfs/dbraw/zinc/13/95/98/182139598.db2.gz	OLOWSFAGBSTWDL-UHFFFAOYSA-N	-2	3	305.399	3.625	10	0		DHAEHL
[O-]c1ccc2ccc([O-])c(Br)c2c1Br	ZINC000094568768	193380805	/nfs/dbraw/zinc/38/08/05/193380805.db2.gz	QZBCXYVRBUFFBG-UHFFFAOYSA-N	-2	3	317.964	3.776	10	0		DHAEHL
O=C([O-])CCN(Cc1ccccc1)Cc1cccc([O-])c1Cl	ZINC000692446235	976483080	/nfs/dbraw/zinc/48/30/80/976483080.db2.gz	TUDJBXGZLOWSCU-UHFFFAOYSA-N	-2	3	319.788	3.523	10	0		DHAEHL
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1[O-]	ZINC000071660642	191001030	/nfs/dbraw/zinc/00/10/30/191001030.db2.gz	SGDFQQAFMJWTEP-UHFFFAOYSA-N	-2	3	305.399	3.625	10	0		DHAEHL
O=C([O-])c1ccc(F)c(-c2cc([O-])cc(Br)c2)c1	ZINC000065343894	184326057	/nfs/dbraw/zinc/32/60/57/184326057.db2.gz	VGOSTJVDGDCGIT-UHFFFAOYSA-N	-2	3	311.106	3.659	10	0		DHAEHL
O=C([O-])c1ccc(-c2cc([O-])cc(C(F)(F)F)c2)cc1F	ZINC000065344293	184326308	/nfs/dbraw/zinc/32/63/08/184326308.db2.gz	OTKSRJXHKUCZNB-UHFFFAOYSA-N	-2	3	300.207	3.915	10	0		DHAEHL