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](C(=O)[O-])c1ccc(C(=O)/C=C/c2ccccc2)c([O-])c1Cl	ZINC000004528968	201604384	/nfs/dbraw/zinc/60/43/84/201604384.db2.gz	JUAWOULSSBKDRP-HUYFXPKMSA-N	-2	0	330.767	4.130	50	30		EIEARL
O=C(C=C([O-])c1ccccc1)C(F)(F)C(=O)C=C([O-])c1ccccc1	ZINC000101448095	564019453	/nfs/dbraw/zinc/01/94/53/564019453.db2.gz	QIYSTBUWARGWON-WHYMJUELSA-N	-2	0	344.313	4.271	50	30		EIEARL
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000086040943	563974099	/nfs/dbraw/zinc/97/40/99/563974099.db2.gz	LSPGIZYBWAWNPY-OMCISZLKSA-N	-2	0	327.123	4.063	50	30		EIEARL
O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c([O-])c1	ZINC000005568335	563540326	/nfs/dbraw/zinc/54/03/26/563540326.db2.gz	DCRFKAVJGOOGDF-OMCISZLKSA-N	-2	0	327.123	4.063	50	30		EIEARL
C[C@@H](C(=O)[O-])c1ccc(C(=O)/C=C/c2ccccc2)c([O-])c1Cl	ZINC000004528969	210215645	/nfs/dbraw/zinc/21/56/45/210215645.db2.gz	JUAWOULSSBKDRP-PFEDMVJOSA-N	-2	0	330.767	4.130	50	30		EIEARL
O=C([O-])CCCCCCCCC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000018158191	564004110	/nfs/dbraw/zinc/00/41/10/564004110.db2.gz	KPVQUBVSFWCUSE-UHFFFAOYSA-N	-2	0	330.380	4.083	50	30		EIEARL