smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c(/C=C(/C#N)C(=O)[O-])c[nH+]c12	ZINC000738785143	978601986	/nfs/dbraw/zinc/60/19/86/978601986.db2.gz	HWAKQLFXBPZSLX-UITAMQMPSA-N	0	2	227.223	1.634	20	50		BDGDLN
O=C([O-])NN=Cc1cc(-n2cc[nH+]c2)cs1	ZINC000834251576	606079500	/nfs/dbraw/zinc/07/95/00/606079500.db2.gz	XZQARXDOXMMIOI-UHFFFAOYSA-N	0	2	236.256	1.535	20	50		BDGDLN
N#C/C(=C/c1cccc2[nH+]ccn21)C(=O)[O-]	ZINC000833063307	604841448	/nfs/dbraw/zinc/84/14/48/604841448.db2.gz	HWQKOWNMDJTTLJ-VURMDHGXSA-N	0	2	213.196	1.326	20	50		BDGDLN
Cc1cccn2c(/C=C(\C#N)C(=O)[O-])c[nH+]c12	ZINC000738785146	978601777	/nfs/dbraw/zinc/60/17/77/978601777.db2.gz	HWAKQLFXBPZSLX-WEVVVXLNSA-N	0	2	227.223	1.634	20	50		BDGDLN
CN(N=Cc1cccc2[nH+]ccn21)C(=O)[O-]	ZINC000828435084	605297162	/nfs/dbraw/zinc/29/71/62/605297162.db2.gz	XBRUKPJTSWCCNL-UHFFFAOYSA-N	0	2	218.216	1.278	20	50		BDGDLN
Cc1cccc2[nH+]cc(/C=C(\C#N)C(=O)[O-])n21	ZINC000832974552	601200355	/nfs/dbraw/zinc/20/03/55/601200355.db2.gz	PPCXQVIWOUFTSY-WEVVVXLNSA-N	0	2	227.223	1.634	20	50		BDGDLN
CN([NH+]=Cc1ccc(N2CCCC2)nc1)C(=O)[O-]	ZINC000828434900	604019767	/nfs/dbraw/zinc/01/97/67/604019767.db2.gz	QFLARGIXYYKGBJ-UHFFFAOYSA-N	0	2	248.286	1.626	20	50		BDGDLN
Cc1ccc2[nH+]cc(/C=C(/C#N)C(=O)[O-])n2c1	ZINC000832959378	604971662	/nfs/dbraw/zinc/97/16/62/604971662.db2.gz	CEGIKNZNGLLHFV-WTKPLQERSA-N	0	2	227.223	1.634	20	50		BDGDLN
O=C([O-])N[NH+]=Cc1ccc(N2CCCC2)nc1	ZINC000832745418	604020513	/nfs/dbraw/zinc/02/05/13/604020513.db2.gz	WKHBJXRCZPKTKL-UHFFFAOYSA-N	0	2	234.259	1.283	20	50		BDGDLN
Cc1ccc2[nH+]cc(/C=C(\C#N)C(=O)[O-])n2c1	ZINC000832959377	604971425	/nfs/dbraw/zinc/97/14/25/604971425.db2.gz	CEGIKNZNGLLHFV-RUDMXATFSA-N	0	2	227.223	1.634	20	50		BDGDLN
N#C/C(=C/c1cc(-n2cc[nH+]c2)cs1)C(=O)[O-]	ZINC000783684049	978793416	/nfs/dbraw/zinc/79/34/16/978793416.db2.gz	DEXZCBACXMHKAZ-BAQGIRSFSA-N	0	2	245.263	1.925	20	50		BDGDLN
Cc1cccc2[nH+]cc(/C=C(/C#N)C(=O)[O-])n21	ZINC000832974551	601200339	/nfs/dbraw/zinc/20/03/39/601200339.db2.gz	PPCXQVIWOUFTSY-UITAMQMPSA-N	0	2	227.223	1.634	20	50		BDGDLN
CN(C)c1ccc(C=[NH+]NC(=O)[O-])cc1F	ZINC000737376352	978401790	/nfs/dbraw/zinc/40/17/90/978401790.db2.gz	DAAGYUUNCXMFKB-UHFFFAOYSA-N	0	2	225.223	1.493	20	50		BDGDLN
N#C/C(=C\c1cc(-n2cc[nH+]c2)cs1)C(=O)[O-]	ZINC000783684067	978793317	/nfs/dbraw/zinc/79/33/17/978793317.db2.gz	DEXZCBACXMHKAZ-FPYGCLRLSA-N	0	2	245.263	1.925	20	50		BDGDLN
N#C/C(=C\c1cccc2[nH+]ccn21)C(=O)[O-]	ZINC000833063305	604841576	/nfs/dbraw/zinc/84/15/76/604841576.db2.gz	HWQKOWNMDJTTLJ-SOFGYWHQSA-N	0	2	213.196	1.326	20	50		BDGDLN