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@@H](O)C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000069631564	373733165	/nfs/dbraw/zinc/73/31/65/373733165.db2.gz	YUSMULHWVWGIFR-SNVBAGLBSA-N	1	1	307.354	-1.542	50	30		DAEAMO
C=CCN1C(=O)NC(=O)C(=CNCCN2CC[NH2+]CC2)C1=O	ZINC000020024382	182180120	/nfs/dbraw/zinc/18/01/20/182180120.db2.gz	IJKUXSCMYXYTAC-ZHACJKMWSA-N	1	1	307.354	-1.371	50	30		DAEAMO
CN1CC[NH+](CCCNC(=O)C(=O)Nc2n[nH]cc2C#N)CC1	ZINC000020713749	182243293	/nfs/dbraw/zinc/24/32/93/182243293.db2.gz	SLVUNYPLOWLTDB-UHFFFAOYSA-N	1	1	319.369	-1.026	50	30		DAEAMO
C[C@H](O)C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000069631561	409680993	/nfs/dbraw/zinc/68/09/93/409680993.db2.gz	YUSMULHWVWGIFR-JTQLQIEISA-N	1	1	307.354	-1.542	50	30		DAEAMO
COCC[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000048302320	274029836	/nfs/dbraw/zinc/02/98/36/274029836.db2.gz	UTGHNUBBBQVOKF-UHFFFAOYSA-N	1	1	307.354	-1.276	50	30		DAEAMO
Cn1c(NC2CC[NH+](CC(N)=O)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000044895948	409376092	/nfs/dbraw/zinc/37/60/92/409376092.db2.gz	DICUKMMNDZOQNA-UHFFFAOYSA-N	1	1	320.353	-1.683	50	30		DAEAMO