smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(CN(C)C(=O)c2cc3ccccc3cc2[O-])[nH]n1	ZINC000217059508	432654675	/nfs/dbraw/zinc/65/46/75/432654675.db2.gz	ORQOSPTXJIPKLJ-UHFFFAOYSA-N	-1	3	323.396	3.493	50	70		DGIAHM
CCCc1cc(CN(C)C(=O)c2cc3ccccc3cc2[O-])n[nH]1	ZINC000217059508	432654681	/nfs/dbraw/zinc/65/46/81/432654681.db2.gz	ORQOSPTXJIPKLJ-UHFFFAOYSA-N	-1	3	323.396	3.493	50	70		DGIAHM
[O-]c1c([C@H](c2ccsc2)N2CCCCC2)sc2ncnn12	ZINC000218459492	432657605	/nfs/dbraw/zinc/65/76/05/432657605.db2.gz	CXMBMSDURHGBCF-NSHDSACASA-N	-1	3	320.443	3.133	50	70		DGIAHM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1	ZINC000217893422	277430007	/nfs/dbraw/zinc/43/00/07/277430007.db2.gz	LUFUSSPDMKNSMV-CQSZACIVSA-N	-1	3	312.321	3.044	50	70	biogenic	DGIAHM
[O-]c1c([C@@H](c2ccsc2)N2CCCCC2)sc2ncnn12	ZINC000218459402	432659093	/nfs/dbraw/zinc/65/90/93/432659093.db2.gz	CXMBMSDURHGBCF-LLVKDONJSA-N	-1	3	320.443	3.133	50	70		DGIAHM
COc1ccccc1[C@@H]1CC(=O)Oc2ccc(C(C)=O)c([O-])c21	ZINC000217837010	278060188	/nfs/dbraw/zinc/06/01/88/278060188.db2.gz	FYBMJDPWEOAICC-ZDUSSCGKSA-N	-1	3	312.321	3.044	50	70	biogenic	DGIAHM
COc1ccccc1[C@H]1CC(=O)Oc2ccc(C(C)=O)c([O-])c21	ZINC000217837094	432656869	/nfs/dbraw/zinc/65/68/69/432656869.db2.gz	FYBMJDPWEOAICC-CYBMUJFWSA-N	-1	3	312.321	3.044	50	70	biogenic	DGIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1	ZINC000217893314	286360236	/nfs/dbraw/zinc/36/02/36/286360236.db2.gz	LUFUSSPDMKNSMV-AWEZNQCLSA-N	-1	3	312.321	3.044	50	70	biogenic	DGIAHM