smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@H]2O[C@@H](CNC(=[NH2+])NC(N)=[NH2+])[C@H]3OC(C)(C)O[C@H]3[C@H]2O1	ZINC000026190156	202140250	/nfs/dbraw/zinc/14/02/50/202140250.db2.gz	QEVWAIQRFHKFGK-VAPHQMJDSA-N	2	0	343.384	-0.819	1	30		EBEFRP
CC1(C)O[C@H]2O[C@@H](CNC(=[NH2+])NC(N)=[NH2+])[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1	ZINC000026190159	212510093	/nfs/dbraw/zinc/51/00/93/212510093.db2.gz	QEVWAIQRFHKFGK-SRQGCSHVSA-N	2	0	343.384	-0.819	1	30		EBEFRP
CN(C(=O)C[C@@H]([NH3+])CCCCC[NH3+])[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099111	215010684	/nfs/dbraw/zinc/01/06/84/215010684.db2.gz	AAKPCLVOBZNQJH-UWVGGRQHSA-N	2	0	341.416	-0.956	1	30		EBEFRP
CN(C(=O)C[C@@H]([NH3+])CCCCC[NH3+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099109	215009879	/nfs/dbraw/zinc/00/98/79/215009879.db2.gz	AAKPCLVOBZNQJH-VHSXEESVSA-N	2	0	341.416	-0.956	1	30		EBEFRP
NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1C(N)=O	ZINC000066166298	215019449	/nfs/dbraw/zinc/01/94/49/215019449.db2.gz	HHKBPQFBRVIWQS-UHFFFAOYSA-P	2	0	329.360	-0.642	1	30		EBEFRP
NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH3+]	ZINC000027525877	212561816	/nfs/dbraw/zinc/56/18/16/212561816.db2.gz	SYHZYSJYBPRQJI-UHFFFAOYSA-N	2	0	330.433	-0.599	1	30		EBEFRP