smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C([O-])=N/O)c1ccc([O-])cc1	113306393	1169148367	/nfs/dbraw/zinc/14/83/67/1169148367.db2.gz	RXDCHTWIKYQNPT-UHFFFAOYSA-N	-2	1	181.147	0.921	20	30		ACEDML
C=C[C@@H](C)O[N-]C(=O)CC(=O)[O-]	1602812473	1170781282	/nfs/dbraw/zinc/78/12/82/1170781282.db2.gz	GHTSQNJPNLLRDN-RXMQYKEDSA-N	-2	1	173.168	0.083	20	30		ACEDML
C=C[C@H](C)O[N-]C(=O)CC(=O)[O-]	1602812474	1170783334	/nfs/dbraw/zinc/78/33/34/1170783334.db2.gz	GHTSQNJPNLLRDN-YFKPBYRVSA-N	-2	1	173.168	0.083	20	30		ACEDML
C=CCc1c([O-])nc2cc[n-]n2c1=O	148306432	344052433	/nfs/dbraw/zinc/05/24/33/344052433.db2.gz	GXUKXSNPFRGADJ-UHFFFAOYSA-N	-2	1	191.190	0.869	20	30		ACEDML
C=CCN1[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-]	238688622	573631372	/nfs/dbraw/zinc/63/13/72/573631372.db2.gz	ZEHUTAHQBRTPKF-KNVOCYPGSA-N	-2	1	199.206	0.175	20	30		ACEDML