smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC[C@H](N)C(=O)NCCC(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000095580665	185381141	/nfs/dbraw/zinc/38/11/41/185381141.db2.gz	CDCBXNRGYNGHAT-IUCAKERBSA-N	1	3	302.379	-3.122	1	0		DAAFHO
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000033996048	574414155	/nfs/dbraw/zinc/41/41/55/574414155.db2.gz	HOGMECWNPMOJQW-RKDXNWHRSA-N	1	3	302.379	-1.725	1	0	endogenous,in-vitro	DAAFHO
[NH2+]=C1N[C@@H]2[C@H](COC(=O)N[O-])NC(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000206507430	560041542	/nfs/dbraw/zinc/04/15/42/560041542.db2.gz	AGUPJSLCNZPQMF-LBACSGLVSA-N	1	3	315.290	-3.832	1	0	endogenous,in-man	DAAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(N)=O	ZINC000096917173	185391513	/nfs/dbraw/zinc/39/15/13/185391513.db2.gz	VORFWIJIZLIOII-DTWKUNHWSA-N	1	3	310.362	-2.487	1	0		DAAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O	ZINC000096917173	185391514	/nfs/dbraw/zinc/39/15/14/185391514.db2.gz	VORFWIJIZLIOII-DTWKUNHWSA-N	1	3	310.362	-2.487	1	0		DAAFHO
[NH2+]=C1N[C@@H]2[C@@H](COC(=O)N[O-])NC(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000085847761	560066523	/nfs/dbraw/zinc/06/65/23/560066523.db2.gz	AGUPJSLCNZPQMF-FJNYAOGASA-N	1	3	315.290	-3.413	1	0	endogenous,in-man	DAAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000033996049	574414164	/nfs/dbraw/zinc/41/41/64/574414164.db2.gz	HOGMECWNPMOJQW-DTWKUNHWSA-N	1	3	302.379	-1.725	1	0	endogenous,in-vitro	DAAFHO
NC[C@@H](N)C(=O)NCCC(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000095580664	185381063	/nfs/dbraw/zinc/38/10/63/185381063.db2.gz	CDCBXNRGYNGHAT-BDAKNGLRSA-N	1	3	302.379	-3.122	1	0		DAAFHO
NOC[C@H](C[NH3+])OC(=O)CCCNc1nc(N)nc(N)n1	ZINC000058506602	184120924	/nfs/dbraw/zinc/12/09/24/184120924.db2.gz	MMRAMOSQOXCMJP-LURJTMIESA-N	1	3	300.323	-2.011	1	0		DAAFHO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000005706881	181274670	/nfs/dbraw/zinc/27/46/70/181274670.db2.gz	JQFZHHSQMKZLRU-BDAKNGLRSA-N	1	3	302.379	-1.725	1	0	endogenous,in-man	DAAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000005706882	181274752	/nfs/dbraw/zinc/27/47/52/181274752.db2.gz	JQFZHHSQMKZLRU-DTWKUNHWSA-N	1	3	302.379	-1.725	1	0	endogenous,in-vitro	DAAFHO
[NH2+]=C1N[C@H]2[C@H](COC(=O)N[O-])NC(=[NH2+])N3CCC(O)(O)[C@]23N1	ZINC000014691903	560100894	/nfs/dbraw/zinc/10/08/94/560100894.db2.gz	AGUPJSLCNZPQMF-HGRQIUPRSA-N	1	3	315.290	-3.413	1	0	endogenous,in-man	DAAFHO
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000033996046	574414148	/nfs/dbraw/zinc/41/41/48/574414148.db2.gz	HOGMECWNPMOJQW-BDAKNGLRSA-N	1	3	302.379	-1.725	1	0	endogenous,in-vitro	DAAFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000033996047	574414171	/nfs/dbraw/zinc/41/41/71/574414171.db2.gz	HOGMECWNPMOJQW-IUCAKERBSA-N	1	3	302.379	-1.725	1	0	endogenous,in-vitro	DAAFHO