smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013543753	570654391	/nfs/dbraw/zinc/65/43/91/570654391.db2.gz	IUMFVSMNETWFNX-KBPBESRZSA-N	2	0	391.432	0.115	50	5		GCBARP
CC[N+](C)(CC)CCNC(=O)c1nc[nH]c1C(=O)NCC[N+](C)(CC)CC	ZINC000670422172	717188069	/nfs/dbraw/zinc/18/80/69/717188069.db2.gz	GLUKXIBEDZIDHZ-UHFFFAOYSA-P	2	0	382.553	0.842	50	5		GCBARP
C[NH+](C)CCCNC(=O)c1cc(C(=O)NCCC[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000004892051	570356884	/nfs/dbraw/zinc/35/68/84/570356884.db2.gz	PCGOBXUHCHGPED-UHFFFAOYSA-N	2	0	379.461	0.958	50	5		GCBARP
CC(C)NC(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])ccc1[N+](=O)[O-]	ZINC000095495917	222332266	/nfs/dbraw/zinc/33/22/66/222332266.db2.gz	PTPBTLIOTVKHRF-LBPRGKRZSA-N	2	0	379.421	0.262	50	5		GCBARP