smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000159732648	484252306	/nfs/dbraw/zinc/25/23/06/484252306.db2.gz	VJSYQSCJQUQRTQ-CQSZACIVSA-N	2	2	373.461	-0.141	20	70		FBIDLP
Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1	ZINC000159732648	484252300	/nfs/dbraw/zinc/25/23/00/484252300.db2.gz	VJSYQSCJQUQRTQ-CQSZACIVSA-N	2	2	373.461	-0.141	20	70		FBIDLP
O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160418483	243201125	/nfs/dbraw/zinc/20/11/25/243201125.db2.gz	ZPVSSZKIIJRJHC-OAGGEKHMSA-N	2	2	350.463	-0.480	20	70		FBIDLP
CC[NH+]1CCN(C(=O)C[C@]2(C(=O)N3CC[NH+](CC)CC3)CC[NH2+]C2)CC1	ZINC000161260721	535618805	/nfs/dbraw/zinc/61/88/05/535618805.db2.gz	SIYTYVVSGCCWLA-LJQANCHMSA-N	3	2	365.522	-0.316	20	70		FBIDLP
CC[NH+]1CCN(C(=O)C[C@@]2(C(=O)N3CC[NH+](CC)CC3)CC[NH2+]C2)CC1	ZINC000161260819	243199422	/nfs/dbraw/zinc/19/94/22/243199422.db2.gz	SIYTYVVSGCCWLA-IBGZPJMESA-N	3	2	365.522	-0.316	20	70		FBIDLP
C[NH+]1CCN(S(=O)(=O)N2CCN(CCC[NH+]3CCCCC3)CC2)CC1	ZINC000161271914	484050531	/nfs/dbraw/zinc/05/05/31/484050531.db2.gz	BXXBSYQLKXVXDD-UHFFFAOYSA-N	2	2	373.567	-0.028	20	70		FBIDLP
OCCN1CC[NH+](Cc2ccc(CN3CC[NH+](CCO)CC3)cc2)CC1	ZINC000217779127	483859593	/nfs/dbraw/zinc/85/95/93/483859593.db2.gz	ZXNWMFQONICKMU-UHFFFAOYSA-N	2	2	362.518	-0.094	20	70		FBIDLP
OCC[NH+]1CCN(Cc2ccc(CN3CC[NH+](CCO)CC3)cc2)CC1	ZINC000217779127	483859590	/nfs/dbraw/zinc/85/95/90/483859590.db2.gz	ZXNWMFQONICKMU-UHFFFAOYSA-N	2	2	362.518	-0.094	20	70		FBIDLP