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+]1(CS(=O)(=O)[O-])CCOCC1	27878018	171046308	/nfs/dbraw/zinc/04/63/08/171046308.db2.gz	UYTBRWIELDTCIT-UHFFFAOYSA-O	0	0	196.248	-0.692	1	5		ABBFRN
C[N+](C)(C)CS(=O)(=O)[O-]	27878011	717115278	/nfs/dbraw/zinc/11/52/78/717115278.db2.gz	NTQJTAUVOPZGQW-UHFFFAOYSA-O	0	0	154.211	-0.462	1	5		ABBFRN
[O-][N+]12CC=C(CO)[C@@H]1[C@H](O)CC2	118495230	717150041	/nfs/dbraw/zinc/15/00/41/717150041.db2.gz	VUMAFSXBFDKENO-ZAZKALAHSA-N	0	0	171.196	-0.634	1	5		ABBFRN
C[N+](C)(C)NCCS(=O)(=O)[O-]	140464424	717151763	/nfs/dbraw/zinc/15/17/63/717151763.db2.gz	WJDHUXMHKPAVKZ-UHFFFAOYSA-O	0	0	183.253	-0.915	1	5		ABBFRN
C[N+](C)(C)NCC[P@@](=O)([O-])O	169309028	717155610	/nfs/dbraw/zinc/15/56/10/717155610.db2.gz	WYUSYPGVENVLJI-UHFFFAOYSA-O	0	0	183.168	-0.625	1	5		ABBFRN
[O-][N+]12CCC[C@@H]1[C@H]1OC[C@@]1(O)C2	238735123	717162161	/nfs/dbraw/zinc/16/21/61/717162161.db2.gz	YKKJHZYLQPFGPW-JSXQXQAOSA-N	0	0	171.196	-0.393	1	5		ABBFRN