smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CON(CCCN(C)C)C(N)=[NH2+]	45324416	168199903	/nfs/dbraw/zinc/19/99/03/168199903.db2.gz	UIOCGQXAAFCVQJ-UHFFFAOYSA-N	1	3	174.248	-0.305	1	0		ABAFHO
N[C@@H](CCC[NH3+])OP(O)O	28764657	169184813	/nfs/dbraw/zinc/18/48/13/169184813.db2.gz	WNQGZTUHADOIJX-SCSAIBSYSA-N	1	3	168.133	-0.762	1	0		ABAFHO
N[C@H](CCC[NH3+])OP(O)O	28764655	169185380	/nfs/dbraw/zinc/18/53/80/169185380.db2.gz	WNQGZTUHADOIJX-BYPYZUCNSA-N	1	3	168.133	-0.762	1	0		ABAFHO
N#[N+]C1N=CCN1	26285656	171044915	/nfs/dbraw/zinc/04/49/15/171044915.db2.gz	OXQVUDYTAUBQDI-VKHMYHEASA-N	1	3	97.101	-0.203	1	0		ABAFHO
N#[N+]C1N=CCN1	26285662	171045254	/nfs/dbraw/zinc/04/52/54/171045254.db2.gz	OXQVUDYTAUBQDI-GSVOUGTGSA-N	1	3	97.101	-0.203	1	0		ABAFHO
N[C@H]1CC(O)C[C@@H]([NH3+])C1	6761031	560206329	/nfs/dbraw/zinc/20/63/29/560206329.db2.gz	ORKQZIAHTZABIG-XEAPYIEGSA-N	1	3	130.191	-0.814	1	0	in-vitro	ABAFHO
N[C@@H]1CC(O)C[C@H]([NH3+])C1	6761031	560206330	/nfs/dbraw/zinc/20/63/30/560206330.db2.gz	ORKQZIAHTZABIG-XEAPYIEGSA-N	1	3	130.191	-0.814	1	0	in-vitro	ABAFHO