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)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000026187176	553818299	/nfs/dbraw/zinc/81/82/99/553818299.db2.gz	ILBHHEXPXBRSKB-FWEHEUNISA-N	1	0	711.821	-1.624	10	30		KAEERO
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000040164439	571756213	/nfs/dbraw/zinc/75/62/13/571756213.db2.gz	QVZKZDOWTVQTPL-OVWQWFNUSA-N	1	0	524.623	-2.309	10	30	endogenous,in-man	KAEERO
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000049888917	562691593	/nfs/dbraw/zinc/69/15/93/562691593.db2.gz	LADIUXCZKYKVRR-PSEZLDIXSA-N	1	0	707.899	-1.018	10	30		KAEERO
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000072170332	562730304	/nfs/dbraw/zinc/73/03/04/562730304.db2.gz	WPZPUDYAMRTIGH-BTNSXGMBSA-N	1	0	715.896	-2.202	10	30		KAEERO
NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC1=O	ZINC000144520125	571456413	/nfs/dbraw/zinc/45/64/13/571456413.db2.gz	NVHPXYIRNJFKTE-YSTOQKLRSA-N	1	0	603.681	-3.045	10	30		KAEERO
C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000147512500	571456727	/nfs/dbraw/zinc/45/67/27/571456727.db2.gz	YLMDZVLJMXJONY-DWTGPMEZSA-N	1	0	627.812	-3.859	10	30		KAEERO
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O	ZINC000301320199	572144131	/nfs/dbraw/zinc/14/41/31/572144131.db2.gz	WTXLFXLSDCKAEI-AZTPLLCYSA-N	1	0	650.803	-2.396	10	30		KAEERO