smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-])C[NH2+]1	ZINC000012501566	211393246	/nfs/dbraw/zinc/39/32/46/211393246.db2.gz	IUFRDGFKAVLPFZ-BIIVOSGPSA-N	1	3	330.349	-3.478	1	30		EAEFHO
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000026491522	202143684	/nfs/dbraw/zinc/14/36/84/202143684.db2.gz	XZADXHLFRKVBKO-DTWKUNHWSA-N	1	3	327.389	-1.982	1	30		EAEFHO
C[C@H]([NH3+])CC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000026497312	202143918	/nfs/dbraw/zinc/14/39/18/202143918.db2.gz	RSOWUVVRECQPGV-XHNCKOQMSA-N	1	3	327.389	-1.983	1	30		EAEFHO
CN(C(=O)C[C@@H]([NH3+])CC[C@H]([NH3+])CO)[C@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000026501441	202143750	/nfs/dbraw/zinc/14/37/50/202143750.db2.gz	VTXJFBXGSXNZCF-CIUDSAMLSA-N	1	3	343.388	-3.011	1	30		EAEFHO
NC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000026846641	212537825	/nfs/dbraw/zinc/53/78/25/212537825.db2.gz	NRDGOJQPHWAEES-IUCAKERBSA-N	1	3	346.392	-2.711	1	30		EAEFHO
NC(=O)[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000034947221	202281951	/nfs/dbraw/zinc/28/19/51/202281951.db2.gz	QHTNDEDTVTZXFK-FXQIFTODSA-N	1	3	330.349	-3.478	1	30		EAEFHO
NC(=O)[C@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000035064499	213007209	/nfs/dbraw/zinc/00/72/09/213007209.db2.gz	QHTNDEDTVTZXFK-RNJXMRFFSA-N	1	3	330.349	-3.478	1	30		EAEFHO
CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])C1CNC(=NC(N)=O)NC1	ZINC000066075041	215006443	/nfs/dbraw/zinc/00/64/43/215006443.db2.gz	CWESHIQMHSWEES-QMMMGPOBSA-N	1	3	341.420	-2.578	1	30		EAEFHO
C[NH2+][C@@H](CCCC[NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066099112	215010459	/nfs/dbraw/zinc/01/04/59/215010459.db2.gz	QMDLDWGIELZCBH-VHSXEESVSA-N	1	3	341.416	-1.085	1	30		EAEFHO
C[NH2+][C@@H](CCCC[NH3+])CC(=O)N(C)[C@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066099114	202878942	/nfs/dbraw/zinc/87/89/42/202878942.db2.gz	QMDLDWGIELZCBH-UWVGGRQHSA-N	1	3	341.416	-1.085	1	30		EAEFHO
CN(C(=O)C[C@@H]([NH3+])C[C@@H]1CC[NH2+]C1)[C@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066136627	215015434	/nfs/dbraw/zinc/01/54/34/215015434.db2.gz	KMLRRSMCDBXGII-GUBZILKMSA-N	1	3	339.400	-1.475	1	30		EAEFHO
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CC[NH2+]C1)[C@@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066157135	215018403	/nfs/dbraw/zinc/01/84/03/215018403.db2.gz	KMLRRSMCDBXGII-KXUCPTDWSA-N	1	3	339.400	-1.475	1	30		EAEFHO
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CC[NH2+]C1)[C@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066157137	215017998	/nfs/dbraw/zinc/01/79/98/215017998.db2.gz	KMLRRSMCDBXGII-UTLUCORTSA-N	1	3	339.400	-1.475	1	30		EAEFHO
NC(=[NH2+])NCCCC(NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385878	574417334	/nfs/dbraw/zinc/41/73/34/574417334.db2.gz	LEANBUSNEHJUBA-SSDOTTSWSA-N	1	3	330.393	-2.178	1	30	endogenous,in-vitro	EAEFHO
NC(=[NH2+])NCCCC(NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385881	574417338	/nfs/dbraw/zinc/41/73/38/574417338.db2.gz	LEANBUSNEHJUBA-ZETCQYMHSA-N	1	3	330.393	-2.178	1	30	endogenous,in-vitro	EAEFHO