smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1CC(C)C	ZINC000514296538	1066247934	/nfs/dbraw/zinc/24/79/34/1066247934.db2.gz	IWRMEFXWVNLNJL-UHFFFAOYSA-N	-1	3	508.438	2.462	20	30		KEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000514300855	1066263623	/nfs/dbraw/zinc/26/36/23/1066263623.db2.gz	SQBZRMVUERVAMY-UHFFFAOYSA-N	-1	3	513.620	2.468	20	30		KEEDHM
COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381428	1066295600	/nfs/dbraw/zinc/29/56/00/1066295600.db2.gz	FFUYOJZZUGGXCU-INIZCTEOSA-N	-1	3	572.485	2.435	20	30		KEEDHM
COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381429	1066295501	/nfs/dbraw/zinc/29/55/01/1066295501.db2.gz	FFUYOJZZUGGXCU-MRXNPFEDSA-N	-1	3	572.485	2.435	20	30		KEEDHM
CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1CC(C)C	ZINC000514404775	1066350485	/nfs/dbraw/zinc/35/04/85/1066350485.db2.gz	MILDZRKEMAIYCF-UHFFFAOYSA-N	-1	3	538.464	2.088	20	30		KEEDHM
COC(=O)CCCn1c(=O)c(=Cc2cc(Br)c([O-])c(OC)c2)sc1=C(C#N)C(=O)C(C)(C)C	ZINC000514405005	1066349341	/nfs/dbraw/zinc/34/93/41/1066349341.db2.gz	PVYVRPXHSHCJDP-UHFFFAOYSA-N	-1	3	537.432	2.458	20	30		KEEDHM