smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-][n-]c(=O)n1N=Cc1cc[nH]n1	814231080	582976280	/nfs/dbraw/zinc/97/62/80/582976280.db2.gz	KTEAVDCOBYPUBB-UHFFFAOYSA-N	-2	3	194.154	-0.705	20	30		ABEDHL
C=C(C)CO[N-]C(=O)c1n[nH]c(=O)[n-]1	846662944	583158830	/nfs/dbraw/zinc/15/88/30/583158830.db2.gz	JHQCAJTTZXSHEU-UHFFFAOYSA-N	-2	3	198.182	-0.252	20	30		ABEDHL
C=CCCO[N-]C(=O)c1n[nH]c(=O)[n-]1	857330187	583264270	/nfs/dbraw/zinc/26/42/70/583264270.db2.gz	GWXXPFZADYCZKK-UHFFFAOYSA-N	-2	3	198.182	-0.252	20	30		ABEDHL
O=C([O-])CCCC(=O)N[O-]	13549500	169337585	/nfs/dbraw/zinc/33/75/85/169337585.db2.gz	WNMOIVFBJXRXSY-UHFFFAOYSA-N	-2	3	147.130	-0.253	20	30		ABEDHL
O=C([O-])C#Cc1c[n-]nn1	87602082	541304240	/nfs/dbraw/zinc/30/42/40/541304240.db2.gz	PQANUXJSHQAWIH-UHFFFAOYSA-N	-2	3	137.098	-0.759	20	30		ABEDHL
C#CCO[N-]C(=O)CCCC(=O)[O-]	308493410	963280695	/nfs/dbraw/zinc/28/06/95/963280695.db2.gz	SEHVVVNGYWBONC-UHFFFAOYSA-N	-2	3	185.179	-0.078	20	30		ABEDHL
O=C([O-])c1ccc(C(=O)N[O-])nc1	1483275	572242318	/nfs/dbraw/zinc/24/23/18/572242318.db2.gz	HINKTIBHVZLYRA-UHFFFAOYSA-N	-2	3	182.135	-0.101	20	30		ABEDHL
C#CCO[N-]C(=O)[C@H]1C[C@H]1C(=O)[O-]	308491475	573077370	/nfs/dbraw/zinc/07/73/70/573077370.db2.gz	RKRSCAAISKNYMI-NTSWFWBYSA-N	-2	3	183.163	-0.612	20	30		ABEDHL