smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[N@@H+](C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825272118	607713750	/nfs/dbraw/zinc/71/37/50/607713750.db2.gz	VHSFLKPJQOYZGA-UHFFFAOYSA-N	1	1	331.424	1.822	20	50		EDGDMO
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000824909755	607462408	/nfs/dbraw/zinc/46/24/08/607462408.db2.gz	UMWXBXQRGLXZSQ-GRYCIOLGSA-N	1	1	329.408	1.571	20	50		EDGDMO
N#CC1=CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1	ZINC000826380901	609475225	/nfs/dbraw/zinc/47/52/25/609475225.db2.gz	PWIZEPVXQSMIQZ-UHFFFAOYSA-N	1	1	329.389	1.412	20	50		EDGDMO
N#CC1=CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1	ZINC000826380901	609475227	/nfs/dbraw/zinc/47/52/27/609475227.db2.gz	PWIZEPVXQSMIQZ-UHFFFAOYSA-N	1	1	329.389	1.412	20	50		EDGDMO
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1=CC[N@@H+](C)CC1	ZINC000824498013	609316567	/nfs/dbraw/zinc/31/65/67/609316567.db2.gz	BYBSEYKQXPZPQK-NSHDSACASA-N	1	1	342.407	1.143	20	50		EDGDMO
Cc1[nH+]ccn1CCCC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826331158	607726680	/nfs/dbraw/zinc/72/66/80/607726680.db2.gz	XNIMICPJALLTDR-UHFFFAOYSA-N	1	1	326.364	1.295	20	50		EDGDMO
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000824909757	607462861	/nfs/dbraw/zinc/46/28/61/607462861.db2.gz	UMWXBXQRGLXZSQ-TUAOUCFPSA-N	1	1	329.408	1.571	20	50		EDGDMO
C[NH+](C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825850415	607353735	/nfs/dbraw/zinc/35/37/35/607353735.db2.gz	PYXGCNUOLQSOAT-HNNXBMFYSA-N	1	1	337.387	1.613	20	50		EDGDMO
C[NH+](C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825850418	607353907	/nfs/dbraw/zinc/35/39/07/607353907.db2.gz	PYXGCNUOLQSOAT-OAHLLOKOSA-N	1	1	337.387	1.613	20	50		EDGDMO