smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC1C(=O)N=C(N)NC1=O	12652142	166207204	/nfs/dbraw/zinc/20/72/04/166207204.db2.gz	SIEHFUXYYSUSQG-UHFFFAOYSA-N	-1	2	167.168	-0.214	50	30		ABEALM
[O-]N=C1CCC(=NO)c2n[nH]nc21	100672088	169314448	/nfs/dbraw/zinc/31/44/48/169314448.db2.gz	HOJSQMOWWJDVDW-UIYSNZQUSA-N	-1	2	181.155	-0.045	50	30		ABEALM
[O-]N=C1CCC(=NO)c2n[nH]nc21	102099064	409448383	/nfs/dbraw/zinc/44/83/83/409448383.db2.gz	HOJSQMOWWJDVDW-LQIBPGRFSA-N	-1	2	181.155	-0.045	50	30		ABEALM