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](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000003929530	562930136	/nfs/dbraw/zinc/93/01/36/562930136.db2.gz	BBHOTQOVSMZDLJ-MNOVXSKESA-N	2	1	454.561	-2.219	1	0		JAAFMP
NC(=[NH2+])NCCC[C@H](NC(=O)CN1CC[NH2+][C@@H](CCCNC(N)=[NH2+])C1=O)C(=O)c1nccs1	ZINC000013487892	562967969	/nfs/dbraw/zinc/96/79/69/562967969.db2.gz	AWIQGIMATAEJMQ-STQMWFEESA-N	3	1	480.599	-1.862	1	0		JAAFMP
C[N@H+](Cc1ccccc1)C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028226318	563058103	/nfs/dbraw/zinc/05/81/03/563058103.db2.gz	WDTZOQCCRMBASU-UDHQNBHYSA-N	2	1	492.529	-1.892	1	0		JAAFMP
C[N@H+]1CCC[C@@H]1CC[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028228187	563058235	/nfs/dbraw/zinc/05/82/35/563058235.db2.gz	IBPFPXLLJNGLOK-XIVCGUKLSA-N	3	1	499.565	-2.951	1	0		JAAFMP
C[N@H+]1CCC[C@H]1CC[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028228191	563058206	/nfs/dbraw/zinc/05/82/06/563058206.db2.gz	IBPFPXLLJNGLOK-JXXBCFFMSA-N	3	1	499.565	-2.951	1	0		JAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CNC(=O)Cc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@H]1[NH3+]	ZINC000028655047	563074322	/nfs/dbraw/zinc/07/43/22/563074322.db2.gz	TVZDWAQKRUCNJF-ZLXMSGINSA-N	2	1	490.557	-2.562	1	0		JAAFMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039831383	563136929	/nfs/dbraw/zinc/13/69/29/563136929.db2.gz	HJVGMOYJDDXLMI-AVGNSLFASA-N	2	1	458.568	-2.977	1	0		JAAFMP
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000045337491	563190488	/nfs/dbraw/zinc/19/04/88/563190488.db2.gz	HOJLRXBSWMTLIM-QXKUPLGCSA-N	2	1	485.634	-2.288	1	0		JAAFMP
NC(=[NH2+])NCCCCC[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049070963	563201332	/nfs/dbraw/zinc/20/13/32/563201332.db2.gz	GXIQEXLEUJCLEV-URQYDQELSA-N	2	1	494.557	-2.215	1	0		JAAFMP
NC(=[NH2+])NCCCCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049070963	563201331	/nfs/dbraw/zinc/20/13/31/563201331.db2.gz	GXIQEXLEUJCLEV-URQYDQELSA-N	2	1	494.557	-2.215	1	0		JAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H](OCc2ccc3ccccc3c2)[C@H]1[NH3+]	ZINC000049679186	563203099	/nfs/dbraw/zinc/20/30/99/563203099.db2.gz	FBOACZNRJZBGIO-JBWIVTRYSA-N	3	1	462.547	-1.738	1	0		JAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C[NH3+])[C@@H](OCc2ccc3ccccc3c2)[C@H](O)[C@H]1[NH3+]	ZINC000049745282	563203303	/nfs/dbraw/zinc/20/33/03/563203303.db2.gz	GVXOGCAMDSPAJD-JBWIVTRYSA-N	3	1	462.547	-1.738	1	0		JAAFMP