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/C=C1C(=O)NC(=O)NC1=O	1556848	166060866	/nfs/dbraw/zinc/06/08/66/166060866.db2.gz	GBELLXFKNZGUHG-NSCUHMNNSA-N	0	1	180.163	-0.145	40	10		ABCBMN
COC(=O)c1nc[n-]c1[N+]#N	104064910	168083329	/nfs/dbraw/zinc/08/33/29/168083329.db2.gz	ZSRKGYNUBWAMRZ-UHFFFAOYSA-N	0	1	152.113	-0.729	40	10		ABCBMN
Nc1c(O)n(-c2ccccc2)[nH]c1=O	222552213	169249608	/nfs/dbraw/zinc/24/96/08/169249608.db2.gz	YHRPDSRWEDJPTH-SSDOTTSWSA-N	0	1	191.190	-0.608	40	10		ABCBMN
Nc1c(O)n(-c2ccccc2)[nH]c1=O	222552270	169271590	/nfs/dbraw/zinc/27/15/90/169271590.db2.gz	YHRPDSRWEDJPTH-ZETCQYMHSA-N	0	1	191.190	-0.608	40	10		ABCBMN
Cc1nc([O-])c(C=O)c(=O)[nH]1	136021210	343973475	/nfs/dbraw/zinc/97/34/75/343973475.db2.gz	ZVHRUNSLGSHJLP-UHFFFAOYSA-N	0	1	154.125	-0.497	40	10		ABCBMN
N#[N+]c1nc[n-]c1-c1nc[nH]n1	17014314	351381754	/nfs/dbraw/zinc/38/17/54/351381754.db2.gz	GCNHJMIFEBTWOD-UHFFFAOYSA-N	0	1	161.128	-0.736	40	10		ABCBMN
N#[N+]c1n[n-]cc1C(N)=O	17419165	351383667	/nfs/dbraw/zinc/38/36/67/351383667.db2.gz	BQSJKVZIMIYYKM-UHFFFAOYSA-N	0	1	137.102	-0.550	40	10		ABCBMN