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](NC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000045366155	175362511	/nfs/dbraw/zinc/36/25/11/175362511.db2.gz	DDDMGCMKOCLAAT-VIFPVBQESA-N	0	3	250.298	2.554	1	5		CFBFHN
CC(CO)(CO)NCc1ccc2cc3ccccc3cc2c1	ZINC000005761717	170137857	/nfs/dbraw/zinc/13/78/57/170137857.db2.gz	FFVXOUFXDCYDCV-UHFFFAOYSA-N	0	3	295.382	2.826	1	5		CFBFHN
C[C@@H](NC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000045366158	175362460	/nfs/dbraw/zinc/36/24/60/175362460.db2.gz	DDDMGCMKOCLAAT-SECBINFHSA-N	0	3	250.298	2.554	1	5		CFBFHN
CC(CO)(CO)NCc1cccc2c3ccccc3ccc12	ZINC000005761724	170137963	/nfs/dbraw/zinc/13/79/63/170137963.db2.gz	UEUCHSHNQDHIOW-UHFFFAOYSA-N	0	3	295.382	2.826	1	5		CFBFHN
C[C@@H](NC1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000045364853	175362318	/nfs/dbraw/zinc/36/23/18/175362318.db2.gz	AMOKJMKEFDPTPN-SNVBAGLBSA-N	0	3	262.309	2.698	1	5		CFBFHN
[NH3+]C[C@H](O)c1cc([O-])c2[nH]ccc3c4ccccc4nc1c32	ZINC000038945856	174159850	/nfs/dbraw/zinc/15/98/50/174159850.db2.gz	PZTPEBCFTKIETH-AWEZNQCLSA-N	0	3	293.326	2.567	1	5		CFBFHN
C[C@H](NC1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000045364850	175362686	/nfs/dbraw/zinc/36/26/86/175362686.db2.gz	AMOKJMKEFDPTPN-JTQLQIEISA-N	0	3	262.309	2.698	1	5		CFBFHN
[NH3+]C[C@@H](O)c1cc([O-])c2[nH]ccc3c4ccccc4nc1c32	ZINC000038945855	174159739	/nfs/dbraw/zinc/15/97/39/174159739.db2.gz	PZTPEBCFTKIETH-CQSZACIVSA-N	0	3	293.326	2.567	1	5		CFBFHN