smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O	ZINC000004556705	556001163	/nfs/dbraw/zinc/00/11/63/556001163.db2.gz	JQESMPDJSXFGSA-MELADBBJSA-N	2	0	440.549	-2.300	50	0		IAAARP
OCC[NH+]1CCOCCOCCOCC[NH+](CCO)CCOCCOCCOCC1	ZINC000005119008	556636865	/nfs/dbraw/zinc/63/68/65/556636865.db2.gz	JAKGTZGTDDDHSH-UHFFFAOYSA-N	2	0	438.562	-1.312	50	0		IAAARP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC000015721435	519366594	/nfs/dbraw/zinc/36/65/94/519366594.db2.gz	JQESMPDJSXFGSA-IHRRRGAJSA-N	2	0	440.549	-2.300	50	0		IAAARP
C[NH+](C)C[C@H](O)Cn1c(=O)n(C[C@@H](O)C[NH+](C)C)c(=O)n(C[C@@H](O)C[NH+](C)C)c1=O	ZINC000016163107	521860503	/nfs/dbraw/zinc/86/05/03/521860503.db2.gz	JAGGVSDPBPJWBJ-KKUMJFAQSA-N	3	0	432.522	-4.061	50	0		IAAARP
C[NH+](C)C[C@@H](O)Cn1c(=O)n(C[C@H](O)C[NH+](C)C)c(=O)n(C[C@@H](O)C[NH+](C)C)c1=O	ZINC000016163108	521830080	/nfs/dbraw/zinc/83/00/80/521830080.db2.gz	JAGGVSDPBPJWBJ-KFWWJZLASA-N	3	0	432.522	-4.061	50	0		IAAARP
C[NH+](C)C[C@@H](O)Cn1c(=O)n(C[C@@H](O)C[NH+](C)C)c(=O)n(C[C@@H](O)C[NH+](C)C)c1=O	ZINC000016163110	557472067	/nfs/dbraw/zinc/47/20/67/557472067.db2.gz	JAGGVSDPBPJWBJ-SOUVJXGZSA-N	3	0	432.522	-4.061	50	0		IAAARP
C[NH+](C)C[C@@H](O)Cn1c(=O)n(C[C@H](O)C[NH+](C)C)c(=O)n(C[C@H](O)C[NH+](C)C)c1=O	ZINC000034694786	555506990	/nfs/dbraw/zinc/50/69/90/555506990.db2.gz	JAGGVSDPBPJWBJ-RBSFLKMASA-N	3	0	432.522	-4.061	50	0		IAAARP
C[NH2+][C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@@]1(C)O	ZINC000038139448	556612144	/nfs/dbraw/zinc/61/21/44/556612144.db2.gz	URWAJWIAIPFPJE-HMZNOACXSA-N	5	0	447.533	-3.852	50	0	in-vitro	IAAARP
C[NH2+][C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@@]1(C)O	ZINC000038139449	556612073	/nfs/dbraw/zinc/61/20/73/556612073.db2.gz	URWAJWIAIPFPJE-FIMIFKHRSA-N	5	0	447.533	-3.852	50	0	in-vitro	IAAARP
C[NH2+][C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@@H]2O)OC[C@@]1(C)O	ZINC000038139450	556612118	/nfs/dbraw/zinc/61/21/18/556612118.db2.gz	URWAJWIAIPFPJE-FBVXEBTKSA-N	5	0	447.533	-3.852	50	0	in-vitro	IAAARP
C[NH2+][C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@@H]2O)OC[C@@]1(C)O	ZINC000038139452	556612113	/nfs/dbraw/zinc/61/21/13/556612113.db2.gz	URWAJWIAIPFPJE-OYCPFBLKSA-N	5	0	447.533	-3.852	50	0	in-vitro	IAAARP
C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000056870809	563142682	/nfs/dbraw/zinc/14/26/82/563142682.db2.gz	URWAJWIAIPFPJE-YFMIWBNJSA-N	5	0	447.533	-3.852	50	0	investigational	IAAARP
C[NH2+][C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@H]2O)OC[C@@]1(C)O	ZINC000238809480	569133919	/nfs/dbraw/zinc/13/39/19/569133919.db2.gz	URWAJWIAIPFPJE-ADIXRWQWSA-N	5	0	447.533	-3.852	50	0		IAAARP
C[NH2+][C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@@H]2O)OC[C@@]1(C)O	ZINC000238809481	569133872	/nfs/dbraw/zinc/13/38/72/569133872.db2.gz	URWAJWIAIPFPJE-BMBJVYQTSA-N	5	0	447.533	-3.852	50	0		IAAARP
C[NH2+][C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@H]2O)OC[C@]1(C)O	ZINC000238809482	569133889	/nfs/dbraw/zinc/13/38/89/569133889.db2.gz	URWAJWIAIPFPJE-CNKGSNDPSA-N	5	0	447.533	-3.852	50	0		IAAARP
C[NH2+][C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000238809483	569133911	/nfs/dbraw/zinc/13/39/11/569133911.db2.gz	URWAJWIAIPFPJE-ZBMGUIGBSA-N	5	0	447.533	-3.852	50	0		IAAARP