smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc2c(c3oc4cc5ccccc5cc4c([O-])c1-3)CCCO2	ZINC000040918652	183149376	/nfs/dbraw/zinc/14/93/76/183149376.db2.gz	HHOIOZLDWJUHHS-UHFFFAOYSA-N	-1	3	318.328	4.130	1	5		DIBFHM
O=c1c2cc3ccccc3cc2oc2c3c(cc([O-])c12)OCCC3	ZINC000040918652	183149378	/nfs/dbraw/zinc/14/93/78/183149378.db2.gz	HHOIOZLDWJUHHS-UHFFFAOYSA-N	-1	3	318.328	4.130	1	5		DIBFHM
Cc1cc(Br)c2c3ccc([O-])c(C)c3oc(=O)c2c1	ZINC000003987045	181060325	/nfs/dbraw/zinc/06/03/25/181060325.db2.gz	JOZIANFGUFWKJB-UHFFFAOYSA-N	-1	3	319.154	4.031	1	5		DIBFHM
O=c1c2ccccc2n(CCc2ccccc2)c2cccc([O-])c12	ZINC000064560543	184299752	/nfs/dbraw/zinc/29/97/52/184299752.db2.gz	HTRZLMRENSALKP-UHFFFAOYSA-N	-1	3	315.372	4.103	1	5		DIBFHM
Cc1ccc2oc3c([O-])c4c(cc3c(=O)c2c1)CCC(C)(C)O4	ZINC000096928325	185392039	/nfs/dbraw/zinc/39/20/39/185392039.db2.gz	ASFSORGBTIWQKF-UHFFFAOYSA-N	-1	3	310.349	4.064	1	5		DIBFHM
Cc1cc(C=O)c2c([O-])c3c(=O)ccc(C=CC(C)C)c-3oc2c1	ZINC000006484412	181344486	/nfs/dbraw/zinc/34/44/86/181344486.db2.gz	SYYAOFKGRFPPSI-SNAWJCMRSA-N	-1	3	322.360	4.442	1	5		DIBFHM
Cc1cc(C=O)c2c(=O)c3c([O-])ccc(/C=C/C(C)C)c3oc2c1	ZINC000006484412	181344489	/nfs/dbraw/zinc/34/44/89/181344489.db2.gz	SYYAOFKGRFPPSI-SNAWJCMRSA-N	-1	3	322.360	4.442	1	5		DIBFHM
O=[N+]([O-])c1ccc(-c2nnc([N-]c3ccc(Cl)cc3)o2)cc1	ZINC000066058832	184385829	/nfs/dbraw/zinc/38/58/29/184385829.db2.gz	LLQWNIPAIVPYSR-UHFFFAOYSA-N	-1	3	316.704	4.042	1	5		DIBFHM