smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1oc(C=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)[O-]	ZINC001597790752	989315536	/nfs/dbraw/zinc/31/55/36/989315536.db2.gz	DZZVEFFKQFEACU-YRNVUSSQSA-N	-1	1	321.336	3.789	20	50		DHGDMM
Cc1oc(C=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)[O-]	ZINC000738969066	978611445	/nfs/dbraw/zinc/61/14/45/978611445.db2.gz	GZEGYJIZAQVIDV-WDZFZDKYSA-N	-1	1	307.309	3.535	20	50		DHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(C(=O)[O-])cc3)[nH]c21	ZINC000735620386	978301926	/nfs/dbraw/zinc/30/19/26/978301926.db2.gz	YULZYGFKRBDVJX-ZROIWOOFSA-N	-1	1	303.321	3.634	20	50		DHGDMM
CCc1oc(C=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)[O-]	ZINC001597790751	989315255	/nfs/dbraw/zinc/31/52/55/989315255.db2.gz	DZZVEFFKQFEACU-XFFZJAGNSA-N	-1	1	321.336	3.789	20	50		DHGDMM
CN(CCO[Si](C)(C)C(C)(C)C)Cc1cccc(C(=O)[O-])c1	ZINC001598497722	992386400	/nfs/dbraw/zinc/38/64/00/992386400.db2.gz	CVLQMHWIFUSCRR-UHFFFAOYSA-N	-1	1	323.509	3.838	20	50		DHGDMM
Cc1cccc2nc(C(C#N)=Cc3cccc(C(=O)[O-])c3)[nH]c21	ZINC000774129955	978746481	/nfs/dbraw/zinc/74/64/81/978746481.db2.gz	HXKLWOOSRIBLSM-ZROIWOOFSA-N	-1	1	303.321	3.634	20	50		DHGDMM
Cc1oc(C=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)[O-]	ZINC000738969062	978611549	/nfs/dbraw/zinc/61/15/49/978611549.db2.gz	GZEGYJIZAQVIDV-IZZDOVSWSA-N	-1	1	307.309	3.535	20	50		DHGDMM
Cc1cccc2nc(C(C#N)=Cc3cccc(C(=O)[O-])c3)[nH]c21	ZINC000774129954	978746387	/nfs/dbraw/zinc/74/63/87/978746387.db2.gz	HXKLWOOSRIBLSM-NTEUORMPSA-N	-1	1	303.321	3.634	20	50		DHGDMM
Cc1cccc2nc(C(C#N)=Cc3ccc(C(=O)[O-])cc3)[nH]c21	ZINC000735620385	978302041	/nfs/dbraw/zinc/30/20/41/978302041.db2.gz	YULZYGFKRBDVJX-NTEUORMPSA-N	-1	1	303.321	3.634	20	50		DHGDMM