smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCCC[NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H](N)CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026839338	561825303	/nfs/dbraw/zinc/82/53/03/561825303.db2.gz	PUDBTUSTUQILKK-PMACEKPBSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@H](CCCC[NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H](N)CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026848397	561826908	/nfs/dbraw/zinc/82/69/08/561826908.db2.gz	PUDBTUSTUQILKK-BGYRXZFFSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@H](CCCC[NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@H](N)CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026848403	561826935	/nfs/dbraw/zinc/82/69/35/561826935.db2.gz	PUDBTUSTUQILKK-WOJBJXKFSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@@H](N)CCCC[NH3+])cc1C2=O	ZINC000042805027	562088985	/nfs/dbraw/zinc/08/89/85/562088985.db2.gz	WDBIIHTWBGAPNE-UIOOFZCWSA-N	2	3	636.754	-0.933	1	10		KBCFHP
N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1C2=O	ZINC000042805027	562088984	/nfs/dbraw/zinc/08/89/84/562088984.db2.gz	WDBIIHTWBGAPNE-UIOOFZCWSA-N	3	3	636.754	-0.933	1	10		KBCFHP
N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H](N)CCCC[NH3+])ccc1C2=O	ZINC000044308353	562654272	/nfs/dbraw/zinc/65/42/72/562654272.db2.gz	DUOFBYMNESGALY-UIOOFZCWSA-N	2	3	636.754	-0.933	1	10		KBCFHP
N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1C2=O	ZINC000044308353	562654271	/nfs/dbraw/zinc/65/42/71/562654271.db2.gz	DUOFBYMNESGALY-UIOOFZCWSA-N	3	3	636.754	-0.933	1	10		KBCFHP
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000066252604	562714797	/nfs/dbraw/zinc/71/47/97/562714797.db2.gz	FSJRSCVHVYRBPB-VXKWHMMOSA-N	2	3	560.696	-0.079	1	10		KBCFHP
N[C@H](CCC[NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@H](N)CCC[NH3+])cc1C2=O	ZINC000103298911	562824830	/nfs/dbraw/zinc/82/48/30/562824830.db2.gz	JEVCWLNPRYJDFF-DNQXCXABSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@H](CCC[NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000103298911	562824829	/nfs/dbraw/zinc/82/48/29/562824829.db2.gz	JEVCWLNPRYJDFF-DNQXCXABSA-N	3	3	608.700	-0.516	1	10		KBCFHP
N[C@@H](CCC[NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](N)CCC[NH3+])cc1C2=O	ZINC000103298915	562824834	/nfs/dbraw/zinc/82/48/34/562824834.db2.gz	JEVCWLNPRYJDFF-ZEQRLZLVSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@@H](CCC[NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000103298915	562824833	/nfs/dbraw/zinc/82/48/33/562824833.db2.gz	JEVCWLNPRYJDFF-ZEQRLZLVSA-N	3	3	608.700	-0.516	1	10		KBCFHP
N[C@H](CCCC[NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H](N)CCCC[NH3+])cc1C2=O	ZINC000653727892	562909273	/nfs/dbraw/zinc/90/92/73/562909273.db2.gz	GYPAMPKNFPDEAE-DNQXCXABSA-N	2	3	608.700	-0.516	1	10		KBCFHP
N[C@H](CCCC[NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)CCCC[NH3+])cc1C2=O	ZINC000653727893	562909294	/nfs/dbraw/zinc/90/92/94/562909294.db2.gz	GYPAMPKNFPDEAE-PSWAGMNNSA-N	2	3	608.700	-0.516	1	10		KBCFHP
C[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC[NH3+])cc1C2=O	ZINC000653739750	562910116	/nfs/dbraw/zinc/91/01/16/562910116.db2.gz	KVXUWJPQBWSWGX-FLBGIQCYSA-N	2	3	608.700	-0.519	1	10		KBCFHP
C[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](N)CCC[NH3+])cc1C2=O	ZINC000653739751	562910114	/nfs/dbraw/zinc/91/01/14/562910114.db2.gz	KVXUWJPQBWSWGX-QBGYIRFESA-N	2	3	608.700	-0.519	1	10		KBCFHP
C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC[NH3+])cc1C2=O	ZINC000653739752	562910107	/nfs/dbraw/zinc/91/01/07/562910107.db2.gz	KVXUWJPQBWSWGX-TWJSWXTQSA-N	2	3	608.700	-0.519	1	10		KBCFHP