smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCCCC3)c([O-])n2n1	ZINC000218539458	205948662	/nfs/dbraw/zinc/94/86/62/205948662.db2.gz	UXNWAYILTKRSBX-AWEZNQCLSA-N	-1	0	382.411	3.797	50	70		GHIARM
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218123290	570325752	/nfs/dbraw/zinc/32/57/52/570325752.db2.gz	XKFAEFNIDYNHFZ-LLVKDONJSA-N	-1	0	378.302	3.611	50	70		GHIARM
Cc1nc2sc([C@H](c3ccc(Br)s3)N3CCCC3)c([O-])n2n1	ZINC000218524679	570336429	/nfs/dbraw/zinc/33/64/29/570336429.db2.gz	ILVJZQXXNAVIAU-NSHDSACASA-N	-1	0	399.339	3.814	50	70		GHIARM
COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c([O-])c2ccccc2oc1=O	ZINC000218193591	570327624	/nfs/dbraw/zinc/32/76/24/570327624.db2.gz	CHXULNYFLSTNGP-NSHDSACASA-N	-1	0	376.767	3.986	50	70		GHIARM
COC(=O)C[C@H](c1c(F)cccc1Cl)c1c([O-])c2ccccc2oc1=O	ZINC000218193529	208835285	/nfs/dbraw/zinc/83/52/85/208835285.db2.gz	CHXULNYFLSTNGP-LLVKDONJSA-N	-1	0	376.767	3.986	50	70		GHIARM
Cc1nc2sc([C@@H](c3ccccc3OC(F)(F)F)N3CCCC3)c([O-])n2n1	ZINC000218362070	570332744	/nfs/dbraw/zinc/33/27/44/570332744.db2.gz	RQHNFIGWPDCVQR-CYBMUJFWSA-N	-1	0	398.410	3.889	50	70		GHIARM
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217761967	211753641	/nfs/dbraw/zinc/75/36/41/211753641.db2.gz	DTJFOMDRUKREOA-QGZVFWFLSA-N	-1	0	382.412	3.981	50	70	biogenic	GHIARM
Cc1nc2sc([C@@H](c3ccc(Br)s3)N3CCCC3)c([O-])n2n1	ZINC000218524604	570336413	/nfs/dbraw/zinc/33/64/13/570336413.db2.gz	ILVJZQXXNAVIAU-LLVKDONJSA-N	-1	0	399.339	3.814	50	70		GHIARM
Cc1nc2sc([C@H](c3ccccc3OC(F)(F)F)N3CCCC3)c([O-])n2n1	ZINC000218362150	211759462	/nfs/dbraw/zinc/75/94/62/211759462.db2.gz	RQHNFIGWPDCVQR-ZDUSSCGKSA-N	-1	0	398.410	3.889	50	70		GHIARM
COCc1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000161145513	570949870	/nfs/dbraw/zinc/94/98/70/570949870.db2.gz	FSENFAUCRJAEOT-UHFFFAOYSA-N	-1	0	395.843	3.612	50	70		GHIARM
Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCCC3)c([O-])n2n1	ZINC000218443052	211759595	/nfs/dbraw/zinc/75/95/95/211759595.db2.gz	XRFHWNXWHNMECM-CYBMUJFWSA-N	-1	0	380.420	3.591	50	70		GHIARM
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218186935	570327147	/nfs/dbraw/zinc/32/71/47/570327147.db2.gz	CIPMRMLGMUNAPT-CQSZACIVSA-N	-1	0	390.338	3.795	50	70		GHIARM
Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCCCC3)c([O-])n2n1	ZINC000218539386	222588909	/nfs/dbraw/zinc/58/89/09/222588909.db2.gz	UXNWAYILTKRSBX-CQSZACIVSA-N	-1	0	382.411	3.797	50	70		GHIARM
Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)N3CCCC3)c([O-])n2n1	ZINC000218442962	570334426	/nfs/dbraw/zinc/33/44/26/570334426.db2.gz	XRFHWNXWHNMECM-ZDUSSCGKSA-N	-1	0	380.420	3.591	50	70		GHIARM
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218187006	570327167	/nfs/dbraw/zinc/32/71/67/570327167.db2.gz	CIPMRMLGMUNAPT-AWEZNQCLSA-N	-1	0	390.338	3.795	50	70		GHIARM
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218123377	570325608	/nfs/dbraw/zinc/32/56/08/570325608.db2.gz	XKFAEFNIDYNHFZ-NSHDSACASA-N	-1	0	378.302	3.611	50	70		GHIARM