smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)C1CC1	ZINC000031435096	385068137	/nfs/dbraw/zinc/06/81/37/385068137.db2.gz	WDGIMWQQJLZDBX-RXMQYKEDSA-N	-1	1	239.300	-0.211	10	10		BBCEMM
C[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)C1CC1	ZINC000031435099	385069839	/nfs/dbraw/zinc/06/98/39/385069839.db2.gz	WDGIMWQQJLZDBX-YFKPBYRVSA-N	-1	1	239.300	-0.211	10	10		BBCEMM
O=C([O-])c1c(O)c(O)cc2c1[C@H](O)CNC2	ZINC000039095975	187263710	/nfs/dbraw/zinc/26/37/10/187263710.db2.gz	GNBINJDCHBUMKT-ZCFIWIBFSA-N	-1	1	225.200	-0.067	10	10		BBCEMM
O=C([O-])c1c(O)c(O)cc2c1[C@@H](O)CNC2	ZINC000039095977	188290990	/nfs/dbraw/zinc/29/09/90/188290990.db2.gz	GNBINJDCHBUMKT-LURJTMIESA-N	-1	1	225.200	-0.067	10	10		BBCEMM
Cc1csc(=N[N-]S(N)(=O)=O)[nH]1	ZINC000307682413	343950407	/nfs/dbraw/zinc/95/04/07/343950407.db2.gz	RNOXZEJAHCQHNS-UHFFFAOYSA-N	-1	1	208.268	-0.428	10	10		BBCEMM