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(C)CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-]	ZINC000905999657	638018205	/nfs/dbraw/zinc/01/82/05/638018205.db2.gz	MZTHCWZKIWZAIM-UHFFFAOYSA-N	-2	1	243.231	0.202	20	30		BCEDML
Cc1noc(=NC(=O)c2cc([O-])cc(C#N)c2)[n-]1	ZINC000589170083	346671206	/nfs/dbraw/zinc/67/12/06/346671206.db2.gz	DJRFPNJQKGDMQH-UHFFFAOYSA-N	-2	1	244.210	0.630	20	30		BCEDML
N#CCNC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833968092	587740605	/nfs/dbraw/zinc/74/06/05/587740605.db2.gz	XAOWPTAUOUJRFP-UHFFFAOYSA-N	-2	1	235.199	0.735	20	30		BCEDML
O=C([O-])CNN=Cc1cccc(F)c1[O-]	ZINC000393460249	711477563	/nfs/dbraw/zinc/47/75/63/711477563.db2.gz	AQZIGTQJWSZFAG-UHFFFAOYSA-N	-2	1	212.180	0.539	20	30		BCEDML
C=C(C)C[C@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000864451615	589365125	/nfs/dbraw/zinc/36/51/25/589365125.db2.gz	IDLVZIQRMQEDOW-YFKPBYRVSA-N	-2	1	243.231	0.548	20	30		BCEDML
Cc1cc(=O)[n-]c(N=NCCCNC(=O)[O-])n1	ZINC000830128556	587537651	/nfs/dbraw/zinc/53/76/51/587537651.db2.gz	DOKCNZRSKRQGFT-UHFFFAOYSA-N	-2	1	239.235	0.546	20	30		BCEDML
C#CCNC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000738463017	602841008	/nfs/dbraw/zinc/84/10/08/602841008.db2.gz	JQPBDPKUUGPLSL-UHFFFAOYSA-N	-2	1	234.211	0.845	20	30		BCEDML
CC(=NNCC(=O)[O-])c1ccc(F)cc1[O-]	ZINC000378865825	712364964	/nfs/dbraw/zinc/36/49/64/712364964.db2.gz	AGCOMTGVCMGLQP-UHFFFAOYSA-N	-2	1	226.207	0.930	20	30		BCEDML
C=C(C)C[C@@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000864451606	589365313	/nfs/dbraw/zinc/36/53/13/589365313.db2.gz	IDLVZIQRMQEDOW-RXMQYKEDSA-N	-2	1	243.231	0.548	20	30		BCEDML
O=C([O-])CCNN=Cc1cccc(F)c1[O-]	ZINC000821524672	587122392	/nfs/dbraw/zinc/12/23/92/587122392.db2.gz	ONOHSCZKZXLUML-UHFFFAOYSA-N	-2	1	226.207	0.930	20	30		BCEDML