smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925405	436822457	/nfs/dbraw/zinc/82/24/57/436822457.db2.gz	PGCQKXHWNSJYHX-LBPRGKRZSA-N	-1	2	329.809	0.821	10	30		ECEELM
C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925567	436822319	/nfs/dbraw/zinc/82/23/19/436822319.db2.gz	QJHHFPMQPXQZQC-SNVBAGLBSA-N	-1	2	329.809	0.821	10	30		ECEELM
CC(=O)C1=C([O-])[C@@]2(C)c3c(c(C(N)=O)c(O)cc3O)OC2=CC1=O	ZINC000100098020	219090723	/nfs/dbraw/zinc/09/07/23/219090723.db2.gz	CRQGMNWDTSGKIL-MRXNPFEDSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC([O-])=C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O	ZINC000100098020	219090726	/nfs/dbraw/zinc/09/07/26/219090726.db2.gz	CRQGMNWDTSGKIL-MRXNPFEDSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC(=O)C1=C([O-])C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O	ZINC000100098020	219090728	/nfs/dbraw/zinc/09/07/28/219090728.db2.gz	CRQGMNWDTSGKIL-MRXNPFEDSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC(=O)C1=C([O-])[C@]2(C)c3c(c(C(N)=O)c(O)cc3O)OC2=CC1=O	ZINC000100098015	436546526	/nfs/dbraw/zinc/54/65/26/436546526.db2.gz	CRQGMNWDTSGKIL-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC([O-])=C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O	ZINC000100098015	436546530	/nfs/dbraw/zinc/54/65/30/436546530.db2.gz	CRQGMNWDTSGKIL-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC(=O)C1=C([O-])C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O	ZINC000100098015	436546531	/nfs/dbraw/zinc/54/65/31/436546531.db2.gz	CRQGMNWDTSGKIL-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM
C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156925258	436822624	/nfs/dbraw/zinc/82/26/24/436822624.db2.gz	PGCQKXHWNSJYHX-GFCCVEGCSA-N	-1	2	329.809	0.821	10	30		ECEELM
C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000156925713	436822151	/nfs/dbraw/zinc/82/21/51/436822151.db2.gz	QJHHFPMQPXQZQC-JTQLQIEISA-N	-1	2	329.809	0.821	10	30		ECEELM
CC(=O)C1=C([O-])C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O	ZINC000013385069	545656520	/nfs/dbraw/zinc/65/65/20/545656520.db2.gz	GEWLYFZWVLXQME-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC(=O)C1=C([O-])[C@]2(C)c3c(c(C(N)=O)c(O)cc3O)OC2=CC1=O	ZINC000013385069	545656538	/nfs/dbraw/zinc/65/65/38/545656538.db2.gz	GEWLYFZWVLXQME-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM
CC([O-])=C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O	ZINC000013385069	545656546	/nfs/dbraw/zinc/65/65/46/545656546.db2.gz	GEWLYFZWVLXQME-INIZCTEOSA-N	-1	2	331.280	0.715	10	30		ECEELM