smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)NC=C1NC(=O)[C@H](CNC(=O)C[C@@H]([NH3+])CCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CNC(=O)[C@H]([C@H]2CC[NH+]=C(N)N2)NC1=O	ZINC000049592788	562664931	/nfs/dbraw/zinc/66/49/31/562664931.db2.gz	JNIIDKODPGHQSS-MPSMQSNBSA-N	4	1	668.717	-8.235	10	0	in-man	KAAEMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000071788355	553638587	/nfs/dbraw/zinc/63/85/87/553638587.db2.gz	JDKYOGLOHFFQID-VGWMRTNUSA-N	3	1	642.771	-5.094	10	0		KAAEMP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O	ZINC000072170711	562730338	/nfs/dbraw/zinc/73/03/38/562730338.db2.gz	AAWZQALNAHGICT-VUBDRERZSA-N	2	1	721.840	-3.432	10	0		KAAEMP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000097972797	553967535	/nfs/dbraw/zinc/96/75/35/553967535.db2.gz	GGAZISNJIGFPHS-LROMGURASA-N	2	1	727.872	-1.881	10	0		KAAEMP
C[C@@H]1NC(=O)[C@@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H]([NH3+])CCC[NH3+])NC1=O	ZINC000169302897	562853133	/nfs/dbraw/zinc/85/31/33/562853133.db2.gz	FRXNXDHFQYZYNA-NKPYFLAHSA-N	4	1	652.718	-7.207	10	0		KAAEMP
C[C@@H]1NC(=O)[C@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CNC(=O)C[C@H]([NH3+])CCC[NH3+])NC1=O	ZINC000253387869	572282802	/nfs/dbraw/zinc/28/28/02/572282802.db2.gz	FRXNXDHFQYZYNA-KBHRWGMVSA-N	4	1	652.718	-6.998	10	0		KAAEMP
C[C@@H]1NC(=O)[C@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@@H](CNC(=O)C[C@H]([NH3+])CCC[NH3+])NC1=O	ZINC000253387870	572282833	/nfs/dbraw/zinc/28/28/33/572282833.db2.gz	FRXNXDHFQYZYNA-PAUNUKFISA-N	4	1	652.718	-6.998	10	0		KAAEMP
C[C@@H]1NC(=O)[C@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H]([NH3+])CCC[NH3+])NC1=O	ZINC000253387871	572282859	/nfs/dbraw/zinc/28/28/59/572282859.db2.gz	FRXNXDHFQYZYNA-PTEFBEGSSA-N	4	1	652.718	-6.998	10	0		KAAEMP
C[C@@H]1NC(=O)[C@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@@H](CNC(=O)C[C@@H]([NH3+])CCC[NH3+])NC1=O	ZINC000253387872	572282842	/nfs/dbraw/zinc/28/28/42/572282842.db2.gz	FRXNXDHFQYZYNA-VHCWAECUSA-N	4	1	652.718	-6.998	10	0		KAAEMP
C[C@@H]1NC(=O)[C@@H]([NH3+])CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CNC(=O)C[C@H]([NH3+])CCC[NH3+])NC1=O	ZINC000299804405	572138591	/nfs/dbraw/zinc/13/85/91/572138591.db2.gz	FRXNXDHFQYZYNA-JYLUTASJSA-N	4	1	652.718	-7.207	10	0		KAAEMP