smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#[N+]CC(=O)CC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](CCC(=O)C[N+]#N)C(=O)[O-]	ZINC000004214922	562932701	/nfs/dbraw/zinc/93/27/01/562932701.db2.gz	MNHVIVWFCMBFCV-XQQFMLRXSA-N	1	0	453.412	-2.468	1	10	in-man	JACFRO
N#[N+]CC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)C[N+]#N)NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000017314871	563014103	/nfs/dbraw/zinc/01/41/03/563014103.db2.gz	MNHVIVWFCMBFCV-AGIUHOORSA-N	1	0	453.412	-2.468	1	10		JACFRO
N#[N+]CC(=O)CC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](CCC(=O)C[N+]#N)C(=O)[O-]	ZINC000017314873	563014131	/nfs/dbraw/zinc/01/41/31/563014131.db2.gz	MNHVIVWFCMBFCV-UPJWGTAASA-N	1	0	453.412	-2.468	1	10		JACFRO
CC[C@@]1(N)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	581093981	/nfs/dbraw/zinc/09/39/81/581093981.db2.gz	HCCBFHWVJLYTSL-VXEMUYFQSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	581093949	/nfs/dbraw/zinc/09/39/49/581093949.db2.gz	HCCBFHWVJLYTSL-REYXVDKWSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@@]1(N)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	581093906	/nfs/dbraw/zinc/09/39/06/581093906.db2.gz	HCCBFHWVJLYTSL-LZDTVADOSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	563026990	/nfs/dbraw/zinc/02/69/90/563026990.db2.gz	HCCBFHWVJLYTSL-KOAQGZTJSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	563122209	/nfs/dbraw/zinc/12/22/09/563122209.db2.gz	HCCBFHWVJLYTSL-KKFFFLSNSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@@]1(N)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	581093888	/nfs/dbraw/zinc/09/38/88/581093888.db2.gz	HCCBFHWVJLYTSL-MNFWLRKXSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@@]1(N)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	581093925	/nfs/dbraw/zinc/09/39/25/581093925.db2.gz	HCCBFHWVJLYTSL-AIYYMTJKSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	581093911	/nfs/dbraw/zinc/09/39/11/581093911.db2.gz	HCCBFHWVJLYTSL-NDBKNAECSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	581093978	/nfs/dbraw/zinc/09/39/78/581093978.db2.gz	HCCBFHWVJLYTSL-AIDSWVIKSA-N	1	0	484.557	-1.102	1	10		JACFRO
CC[C@]1(N)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	581093941	/nfs/dbraw/zinc/09/39/41/581093941.db2.gz	HCCBFHWVJLYTSL-MXEPURNFSA-N	1	0	484.557	-1.102	1	10		JACFRO