smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[N-]=[N+]=NCCNC(=O)c1nn[n-]n1	701301620	1443256331	/nfs/dbraw/zinc/25/63/31/1443256331.db2.gz	UEBYGEXTTDFGIM-UHFFFAOYSA-N	-1	1	182.147	-0.760	10	10		ABCEMM
C=C1C(=N)NC(=S)[N-]C1=O	40176441	166141135	/nfs/dbraw/zinc/14/11/35/166141135.db2.gz	QUUYIULWDGNTRX-UHFFFAOYSA-N	-1	1	155.182	-0.065	10	10		ABCEMM
NS(=O)(=O)c1cccc(O)c1[O-]	39054015	169240648	/nfs/dbraw/zinc/24/06/48/169240648.db2.gz	ARHGDEDPRMTUGD-UHFFFAOYSA-N	-1	1	189.192	-0.255	10	10		ABCEMM
O=C1[N-]C(=O)C(=CO)N1	100248248	169384488	/nfs/dbraw/zinc/38/44/88/169384488.db2.gz	MJHCCLFTRZOZSH-UPHRSURJSA-N	-1	1	128.087	-0.775	10	10		ABCEMM
O=c1cc(O)n(-c2ccncc2)[n-]1	90649038	171224239	/nfs/dbraw/zinc/22/42/39/171224239.db2.gz	MUQVSELJJWXTJK-UHFFFAOYSA-N	-1	1	177.163	-0.151	10	10		ABCEMM
O=Cc1c([O-])nc[nH]c1=O	100190915	171225025	/nfs/dbraw/zinc/22/50/25/171225025.db2.gz	IIENOMUDGIADAW-UHFFFAOYSA-N	-1	1	140.098	-0.887	10	10		ABCEMM
CCNC=C1C(=O)[N-]C(=S)NC1=O	306397943	345259043	/nfs/dbraw/zinc/25/90/43/345259043.db2.gz	JWVFOYDGKOSLOY-UHFFFAOYSA-N	-1	1	199.235	-0.989	10	10		ABCEMM
CC(=O)[C@H]1C(=O)C=C([O-])C1=O	238067377	573750810	/nfs/dbraw/zinc/75/08/10/573750810.db2.gz	FEFIIJRMIMBFJT-LURJTMIESA-N	-1	1	154.121	-0.697	10	10		ABCEMM
CC(=O)[C@@H]1C(=O)C=C([O-])C1=O	238159186	573839074	/nfs/dbraw/zinc/83/90/74/573839074.db2.gz	FEFIIJRMIMBFJT-ZCFIWIBFSA-N	-1	1	154.121	-0.697	10	10		ABCEMM
OCN=Nc1nnn[n-]1	238635990	1423231963	/nfs/dbraw/zinc/23/19/63/1423231963.db2.gz	BUHLXAAEXUUFKN-ONEGZZNKSA-N	-1	1	128.095	-0.767	10	10		ABCEMM
OCCSN=Nc1nnn[n-]1	238649806	1424039879	/nfs/dbraw/zinc/03/98/79/1424039879.db2.gz	KJGRVPYDEJGWJN-RMKNXTFCSA-N	-1	1	174.189	-0.076	10	10		ABCEMM
N#[N+]c1ncc(CC(=O)[O-])[n-]1	5133225	571833350	/nfs/dbraw/zinc/83/33/50/571833350.db2.gz	AWIYCFQGCXENSO-UHFFFAOYSA-N	-1	1	152.113	-0.428	10	10		ABCEMM
O=C(c1ccc([O-])c(O)c1)[C@@H](O)CO	114356117	573077544	/nfs/dbraw/zinc/07/75/44/573077544.db2.gz	MQUWQMJSZRYUJE-QMMMGPOBSA-N	-1	1	198.174	-0.366	10	10		ABCEMM
NC(=O)c1ccc(O)c([O-])c1C(N)=O	142362172	573267600	/nfs/dbraw/zinc/26/76/00/573267600.db2.gz	SYYSRVMBAMJMRT-UHFFFAOYSA-N	-1	1	196.162	-0.704	10	10		ABCEMM
CC(=O)C(=O)C[P@](=O)([O-])O	238044035	573721680	/nfs/dbraw/zinc/72/16/80/573721680.db2.gz	SPRYEUOZHVIJDK-UHFFFAOYSA-N	-1	1	166.069	-0.678	10	10		ABCEMM
O=C1C=C([O-])C(=O)C1	111347344	574010584	/nfs/dbraw/zinc/01/05/84/574010584.db2.gz	PLIKDTHMOISVIW-UHFFFAOYSA-N	-1	1	112.084	-0.513	10	10		ABCEMM