smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=N)N(C)C(=O)C(=CN[C@@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000019723166	182139031	/nfs/dbraw/zinc/13/90/31/182139031.db2.gz	IBHUUZYCBUVUBI-ZETCQYMHSA-N	-2	0	312.282	-1.357	50	10		DACARL
CN1C(=O)C(=CN[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)N(C)C1=O	ZINC000020028337	182181625	/nfs/dbraw/zinc/18/16/25/182181625.db2.gz	GWUAGSHXAZURAA-SSDOTTSWSA-N	-2	0	313.266	-1.172	50	10		DACARL
CC(C)N1C(=O)[N-]C(=O)C(=CN[C@@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000020567580	182233050	/nfs/dbraw/zinc/23/30/50/182233050.db2.gz	OHBRVQUUQIMLBP-NGAMADIESA-N	-3	0	313.266	-1.125	50	10		DACARL
O=C([O-])CC[C@@H](NC=C1C(=O)NC(=S)NC1=O)C(=O)[O-]	ZINC000020572826	182233971	/nfs/dbraw/zinc/23/39/71/182233971.db2.gz	RYNZKTFJWMZAKH-RXMQYKEDSA-N	-2	0	301.280	-1.691	50	10		DACARL
CN1C(=N)N(C)C(=O)C(=CN[C@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000019723168	182139514	/nfs/dbraw/zinc/13/95/14/182139514.db2.gz	IBHUUZYCBUVUBI-SSDOTTSWSA-N	-2	0	312.282	-1.357	50	10		DACARL
CN1C(=O)C(=CN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)N(C)C1=O	ZINC000020028336	182181718	/nfs/dbraw/zinc/18/17/18/182181718.db2.gz	GWUAGSHXAZURAA-ZETCQYMHSA-N	-2	0	313.266	-1.172	50	10		DACARL
CC(C)N1C(=O)[N-]C(=O)C(=CN[C@H](CC(=O)[O-])C(=O)[O-])C1=O	ZINC000020567581	182233364	/nfs/dbraw/zinc/23/33/64/182233364.db2.gz	OHBRVQUUQIMLBP-FXXDRWHHSA-N	-3	0	313.266	-1.125	50	10		DACARL
O=C([O-])CC[C@H](NC=C1C(=O)NC(=S)NC1=O)C(=O)[O-]	ZINC000020572829	182233787	/nfs/dbraw/zinc/23/37/87/182233787.db2.gz	RYNZKTFJWMZAKH-YFKPBYRVSA-N	-2	0	301.280	-1.691	50	10		DACARL