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@@]1([NH3+])C(=O)N2[C@@H](Cc3ccccc3)C=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000026386374	581093982	/nfs/dbraw/zinc/09/39/82/581093982.db2.gz	HCCBFHWVJLYTSL-VXEMUYFQSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@@H](Cc3ccccc3)C=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000026386377	581093950	/nfs/dbraw/zinc/09/39/50/581093950.db2.gz	HCCBFHWVJLYTSL-REYXVDKWSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000026386380	581093907	/nfs/dbraw/zinc/09/39/07/581093907.db2.gz	HCCBFHWVJLYTSL-LZDTVADOSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000026386384	563026993	/nfs/dbraw/zinc/02/69/93/563026993.db2.gz	HCCBFHWVJLYTSL-KOAQGZTJSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000036107585	563122211	/nfs/dbraw/zinc/12/22/11/563122211.db2.gz	HCCBFHWVJLYTSL-KKFFFLSNSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000036107587	581093889	/nfs/dbraw/zinc/09/38/89/581093889.db2.gz	HCCBFHWVJLYTSL-MNFWLRKXSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@@]1([NH3+])C(=O)N2[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)C=C[C@H](Cc3ccccc3)N2C1=O	ZINC000036107589	581093926	/nfs/dbraw/zinc/09/39/26/581093926.db2.gz	HCCBFHWVJLYTSL-AIYYMTJKSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(N)=O)C=C[C@H](Cc3ccccc3)N2C1=O	ZINC000036107590	581093912	/nfs/dbraw/zinc/09/39/12/581093912.db2.gz	HCCBFHWVJLYTSL-NDBKNAECSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000253698794	581093979	/nfs/dbraw/zinc/09/39/79/581093979.db2.gz	HCCBFHWVJLYTSL-AIDSWVIKSA-N	2	2	484.557	-1.102	1	10		JACFLP
CC[C@]1([NH3+])C(=O)N2[C@H](Cc3ccccc3)C=C[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(N)=O)N2C1=O	ZINC000253698801	581093942	/nfs/dbraw/zinc/09/39/42/581093942.db2.gz	HCCBFHWVJLYTSL-MXEPURNFSA-N	2	2	484.557	-1.102	1	10		JACFLP