smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(N)=O	ZINC000012504132	525138706	/nfs/dbraw/zinc/13/87/06/525138706.db2.gz	YVUUZAPYLPWFHE-GBBGEASQSA-N	0	3	459.547	-1.111	10	0		JAAEHN
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O	ZINC000013798353	555620477	/nfs/dbraw/zinc/62/04/77/555620477.db2.gz	YVUUZAPYLPWFHE-HXFGRODQSA-N	0	3	459.547	-1.111	10	0	in-vivo	JAAEHN
NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000015721431	555955968	/nfs/dbraw/zinc/95/59/68/555955968.db2.gz	YVHCULPWZYVJEK-IHRRRGAJSA-N	0	3	465.515	-2.781	10	0		JAAEHN
NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000015721431	555955964	/nfs/dbraw/zinc/95/59/64/555955964.db2.gz	YVHCULPWZYVJEK-IHRRRGAJSA-N	0	3	465.515	-2.781	10	0		JAAEHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CC3)C(=O)[C@@H]3C[C@@H](CN3)N1)[C@@H](O)[C@H]2O	ZINC000096129468	569736225	/nfs/dbraw/zinc/73/62/25/569736225.db2.gz	JCRGDMHDRXXPBA-VFBJOFAASA-N	0	3	465.507	-3.708	10	0		JAAEHN
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCCC1)C3)[C@H](O)[C@@H]2O	ZINC000108317614	569859497	/nfs/dbraw/zinc/85/94/97/569859497.db2.gz	IKUUSBKYEUFZOX-NYWUXBNHSA-N	0	3	494.589	-1.543	10	0		JAAEHN