smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=[NH+]/C[C@@H]2CCCN3CCCC[C@H]23)cc1	ZINC000036378136	344944012	/nfs/dbraw/zinc/94/40/12/344944012.db2.gz	ZUNFVGFZOHJFDE-FNDQXUCGSA-N	1	3	299.462	3.436	40	30		CGEBHO
CC[NH+](CC)CC[C@](C#N)(CCN(C)C)c1ccccc1	ZINC000006382369	397603136	/nfs/dbraw/zinc/60/31/36/397603136.db2.gz	RQBPUHLXHYGXAG-SFHVURJKSA-N	1	3	287.451	3.132	40	30		CGEBHO
CN(C)c1ccc(/C=[NH+]/C[C@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000017610786	344888696	/nfs/dbraw/zinc/88/86/96/344888696.db2.gz	ZUNFVGFZOHJFDE-NGSCWYRNSA-N	1	3	299.462	3.436	40	30		CGEBHO
CC[NH+](CC)CC[C@@](C#N)(CCN(C)C)c1ccccc1	ZINC000001593317	284656142	/nfs/dbraw/zinc/65/61/42/284656142.db2.gz	RQBPUHLXHYGXAG-GOSISDBHSA-N	1	3	287.451	3.132	40	30		CGEBHO
CN(C)c1ccc(/C=[NH+]/C[C@@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000004395271	368546352	/nfs/dbraw/zinc/54/63/52/368546352.db2.gz	ZUNFVGFZOHJFDE-LOWPNFGMSA-N	1	3	299.462	3.436	40	30		CGEBHO
CN(C)c1ccc(/C=[NH+]/C[C@H]2CCCN3CCCC[C@H]23)cc1	ZINC000036378137	344944251	/nfs/dbraw/zinc/94/42/51/344944251.db2.gz	ZUNFVGFZOHJFDE-DEYZYAAPSA-N	1	3	299.462	3.436	40	30		CGEBHO