smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C([N+]#N)=C([O-])C[N+]12CCN(CC1)CC2	ZINC000033937965	717123318	/nfs/dbraw/zinc/12/33/18/717123318.db2.gz	APXGKESBHQNWIK-UHFFFAOYSA-N	1	3	268.317	-1.055	10	30		CAEEHO
CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2	ZINC000033937965	717123322	/nfs/dbraw/zinc/12/33/22/717123322.db2.gz	APXGKESBHQNWIK-UHFFFAOYSA-N	1	3	268.317	-1.055	10	30		CAEEHO
C[C@H](O)C[NH2+]CCNCCNCCNCCC#N	ZINC000038643205	174150574	/nfs/dbraw/zinc/15/05/74/174150574.db2.gz	MSLZKPMVJKWTJZ-LBPRGKRZSA-N	1	3	257.382	-1.361	10	30		CAEEHO
C[C@@H](O)C[NH2+]CCNCCNCCNCCC#N	ZINC000038643207	174150551	/nfs/dbraw/zinc/15/05/51/174150551.db2.gz	MSLZKPMVJKWTJZ-GFCCVEGCSA-N	1	3	257.382	-1.361	10	30		CAEEHO