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@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000004533954	552463852	/nfs/dbraw/zinc/46/38/52/552463852.db2.gz	SDNYTAYICBFYFH-WOZUAGRISA-N	1	0	604.713	-1.299	40	30	in-vitro	KAEBRO
CC[C@H](C)[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000027080834	553825238	/nfs/dbraw/zinc/82/52/38/553825238.db2.gz	MWOGMBZGFFZBMK-VPRYHYFJSA-N	1	0	594.670	-2.991	40	30		KAEBRO
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000040163318	554282418	/nfs/dbraw/zinc/28/24/18/554282418.db2.gz	DIRJDIBCAHCCFL-XAVKADPMSA-N	1	0	626.671	-1.591	40	30		KAEBRO
CC(C)[C@@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000076945767	553654581	/nfs/dbraw/zinc/65/45/81/553654581.db2.gz	PSWFFKRAVBDQEG-DXHZJSNDSA-N	1	0	679.776	-2.401	40	30	in-vitro	KAEBRO
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C	ZINC000095546161	553703367	/nfs/dbraw/zinc/70/33/67/553703367.db2.gz	OOZYLOMMGMLDHT-BIVGDOEESA-N	1	0	773.893	-3.883	40	30		KAEBRO
CC(C)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000102180809	554893588	/nfs/dbraw/zinc/89/35/88/554893588.db2.gz	SDNYTAYICBFYFH-UWHLTILDSA-N	1	0	604.713	-1.299	40	30		KAEBRO
CC(C)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000106842905	571418403	/nfs/dbraw/zinc/41/84/03/571418403.db2.gz	SDNYTAYICBFYFH-XSDIEEQYSA-N	1	0	604.713	-1.299	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000217553909	1066212599	/nfs/dbraw/zinc/21/25/99/1066212599.db2.gz	RPAKYHDUWYQJQN-NASSWSRMSA-N	1	0	635.723	-2.847	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000223490501	571486054	/nfs/dbraw/zinc/48/60/54/571486054.db2.gz	NOLJYRUJKYFVMZ-FRSCJGFNSA-N	1	0	748.883	-2.922	40	30		KAEBRO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000255967324	572304375	/nfs/dbraw/zinc/30/43/75/572304375.db2.gz	CNOKQOBEMGIIAH-CTAFWJRSSA-N	1	0	657.814	-2.362	40	30		KAEBRO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000255967325	572304371	/nfs/dbraw/zinc/30/43/71/572304371.db2.gz	CNOKQOBEMGIIAH-MDDNTDLKSA-N	1	0	657.814	-2.362	40	30		KAEBRO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000255967326	572304324	/nfs/dbraw/zinc/30/43/24/572304324.db2.gz	CNOKQOBEMGIIAH-UVPVTUNBSA-N	1	0	657.814	-2.362	40	30		KAEBRO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000255967327	572304338	/nfs/dbraw/zinc/30/43/38/572304338.db2.gz	CNOKQOBEMGIIAH-ZBVDZRMISA-N	1	0	657.814	-2.362	40	30		KAEBRO
C[C@H](O)[C@@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000255971294	572304345	/nfs/dbraw/zinc/30/43/45/572304345.db2.gz	FFEMNOZDYSNTNO-KFYQUUCGSA-N	1	0	619.680	-3.492	40	30		KAEBRO
C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000255971295	572304329	/nfs/dbraw/zinc/30/43/29/572304329.db2.gz	FFEMNOZDYSNTNO-RSEMWIDTSA-N	1	0	619.680	-3.492	40	30		KAEBRO
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000255990417	572304680	/nfs/dbraw/zinc/30/46/80/572304680.db2.gz	NOLJYRUJKYFVMZ-CXYTZJNRSA-N	1	0	748.883	-2.922	40	30		KAEBRO
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000255990418	572304720	/nfs/dbraw/zinc/30/47/20/572304720.db2.gz	NOLJYRUJKYFVMZ-RMPBONJYSA-N	1	0	748.883	-2.922	40	30		KAEBRO
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000255990419	572304693	/nfs/dbraw/zinc/30/46/93/572304693.db2.gz	NOLJYRUJKYFVMZ-RXZRQWQRSA-N	1	0	748.883	-2.922	40	30		KAEBRO
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000255990420	572304751	/nfs/dbraw/zinc/30/47/51/572304751.db2.gz	NOLJYRUJKYFVMZ-VMKZMFFZSA-N	1	0	748.883	-2.922	40	30		KAEBRO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000255996261	572304835	/nfs/dbraw/zinc/30/48/35/572304835.db2.gz	QCZSKTVOHRZIAQ-IPJCAIGPSA-N	1	0	729.793	-5.886	40	30		KAEBRO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000255996262	572304806	/nfs/dbraw/zinc/30/48/06/572304806.db2.gz	QCZSKTVOHRZIAQ-KYRVCDIISA-N	1	0	729.793	-5.886	40	30		KAEBRO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000255996263	572304757	/nfs/dbraw/zinc/30/47/57/572304757.db2.gz	QCZSKTVOHRZIAQ-VTYCOLDWSA-N	1	0	729.793	-5.886	40	30		KAEBRO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000255996264	572304785	/nfs/dbraw/zinc/30/47/85/572304785.db2.gz	QCZSKTVOHRZIAQ-XHHHBCLVSA-N	1	0	729.793	-5.886	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000255999774	572304912	/nfs/dbraw/zinc/30/49/12/572304912.db2.gz	RPAKYHDUWYQJQN-CZGNIMDHSA-N	1	0	635.723	-2.847	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000255999775	572304888	/nfs/dbraw/zinc/30/48/88/572304888.db2.gz	RPAKYHDUWYQJQN-LRGNLBRXSA-N	1	0	635.723	-2.847	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000256013041	572305122	/nfs/dbraw/zinc/30/51/22/572305122.db2.gz	YFLNMDICXALSPE-JSQVPHPLSA-N	1	0	782.900	-2.725	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000256013042	572305108	/nfs/dbraw/zinc/30/51/08/572305108.db2.gz	YFLNMDICXALSPE-JTXVVRDHSA-N	1	0	782.900	-2.725	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000256013043	572305112	/nfs/dbraw/zinc/30/51/12/572305112.db2.gz	YFLNMDICXALSPE-LCJMHDQGSA-N	1	0	782.900	-2.725	40	30		KAEBRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000256013044	572305103	/nfs/dbraw/zinc/30/51/03/572305103.db2.gz	YFLNMDICXALSPE-ZGLCPUQGSA-N	1	0	782.900	-2.725	40	30		KAEBRO