smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC([N+]#N)C(=O)CC[C@H]([NH3+])C(=O)[O-]	26718830	166338775	/nfs/dbraw/zinc/33/87/75/166338775.db2.gz	XFIYHMCGBHYLQG-YFKPBYRVSA-N	1	0	185.183	-0.562	1	10		ABCFRO
CN(C)C=[N+]=N	5808709	167831001	/nfs/dbraw/zinc/83/10/01/167831001.db2.gz	MMJYLJKGUBUPHI-UHFFFAOYSA-N	1	0	85.110	-0.194	1	10		ABCFRO
COCCOC(=O)C(C)[N+]#N	5541765	168169759	/nfs/dbraw/zinc/16/97/59/168169759.db2.gz	XUARVATXCDKGCS-UHFFFAOYSA-N	1	0	158.157	-0.133	1	10		ABCFRO
C[NH2+]CC(O)(O)c1ccc(O)c(O)c1	95909342	560059848	/nfs/dbraw/zinc/05/98/48/560059848.db2.gz	PWHKLFSRFGOVEY-UHFFFAOYSA-N	1	0	199.206	-0.545	1	10	biogenic,in-vitro	ABCFRO