smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc([C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)C)cc1	ZINC000159695551	508876466	/nfs/dbraw/zinc/87/64/66/508876466.db2.gz	BTGVCQXFAJJZER-LFDOHDQPSA-N	-1	0	357.454	2.612	10	70		FFIERM
O=S(=O)(Cl)c1cc(Br)cc(Br)c1[O-]	ZINC000216537149	571227331	/nfs/dbraw/zinc/22/73/31/571227331.db2.gz	XECJZAWXETVBER-UHFFFAOYSA-N	-1	0	350.415	2.845	10	70		FFIERM
C[C@@H](NC(=O)c1ccco1)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000160702565	509022795	/nfs/dbraw/zinc/02/27/95/509022795.db2.gz	YUQRJJIMZHCOEH-SNVBAGLBSA-N	-1	0	356.300	2.665	10	70		FFIERM
CC(C)Cc1ccc([C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)C)cc1	ZINC000159696516	508876335	/nfs/dbraw/zinc/87/63/35/508876335.db2.gz	NEEHRCOQUCOLGL-BATSVXPKSA-N	-1	0	371.481	2.687	10	70		FFIERM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NC1C2CC3CC(C2)CC1C3	ZINC000161320814	509101192	/nfs/dbraw/zinc/10/11/92/509101192.db2.gz	DRDUWDDEGXHWKV-UHFFFAOYSA-N	-1	0	372.494	2.951	10	70		FFIERM
O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC(Cn2ccnn2)CC1	ZINC000159524342	508852696	/nfs/dbraw/zinc/85/26/96/508852696.db2.gz	ZCYLOQRNXOEDGF-UHFFFAOYSA-N	-1	0	355.225	2.843	10	70		FFIERM
CC(C)Cc1ccc([C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)C)cc1	ZINC000159696386	508876575	/nfs/dbraw/zinc/87/65/75/508876575.db2.gz	NEEHRCOQUCOLGL-BQIYRTECSA-N	-1	0	371.481	2.687	10	70		FFIERM
CC(C)c1ccc([C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)C)cc1	ZINC000159695704	508876549	/nfs/dbraw/zinc/87/65/49/508876549.db2.gz	BTGVCQXFAJJZER-NGEICVOHSA-N	-1	0	357.454	2.612	10	70		FFIERM
CCCCc1ccc([C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)C)cc1	ZINC000159696656	508876539	/nfs/dbraw/zinc/87/65/39/508876539.db2.gz	XHCFHBRAFLPSCQ-BQIYRTECSA-N	-1	0	371.481	2.831	10	70		FFIERM