smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000003924034	552422611	/nfs/dbraw/zinc/42/26/11/552422611.db2.gz	MMHDBUJXLOFTLC-WOYTXXSLSA-N	0	1	597.655	-4.815	40	30		KAEBMN
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000027080834	553825243	/nfs/dbraw/zinc/82/52/43/553825243.db2.gz	MWOGMBZGFFZBMK-VPRYHYFJSA-N	0	1	594.670	-2.991	40	30		KAEBMN
CC(C)[C@@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000076945767	553654587	/nfs/dbraw/zinc/65/45/87/553654587.db2.gz	PSWFFKRAVBDQEG-DXHZJSNDSA-N	0	1	679.776	-2.401	40	30	in-vitro	KAEBMN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000217553909	1066212613	/nfs/dbraw/zinc/21/26/13/1066212613.db2.gz	RPAKYHDUWYQJQN-NASSWSRMSA-N	0	1	635.723	-2.847	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000223490501	571486056	/nfs/dbraw/zinc/48/60/56/571486056.db2.gz	NOLJYRUJKYFVMZ-FRSCJGFNSA-N	0	1	748.883	-2.922	40	30		KAEBMN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000255967324	572304376	/nfs/dbraw/zinc/30/43/76/572304376.db2.gz	CNOKQOBEMGIIAH-CTAFWJRSSA-N	0	1	657.814	-2.362	40	30		KAEBMN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000255967325	572304373	/nfs/dbraw/zinc/30/43/73/572304373.db2.gz	CNOKQOBEMGIIAH-MDDNTDLKSA-N	0	1	657.814	-2.362	40	30		KAEBMN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000255967326	572304325	/nfs/dbraw/zinc/30/43/25/572304325.db2.gz	CNOKQOBEMGIIAH-UVPVTUNBSA-N	0	1	657.814	-2.362	40	30		KAEBMN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000255967327	572304339	/nfs/dbraw/zinc/30/43/39/572304339.db2.gz	CNOKQOBEMGIIAH-ZBVDZRMISA-N	0	1	657.814	-2.362	40	30		KAEBMN
C[C@H](O)[C@@H](N)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	572304346	/nfs/dbraw/zinc/30/43/46/572304346.db2.gz	FFEMNOZDYSNTNO-KFYQUUCGSA-N	0	1	619.680	-3.492	40	30		KAEBMN
C[C@@H](O)[C@@H](N)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	572304330	/nfs/dbraw/zinc/30/43/30/572304330.db2.gz	FFEMNOZDYSNTNO-RSEMWIDTSA-N	0	1	619.680	-3.492	40	30		KAEBMN
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000255990417	572304683	/nfs/dbraw/zinc/30/46/83/572304683.db2.gz	NOLJYRUJKYFVMZ-CXYTZJNRSA-N	0	1	748.883	-2.922	40	30		KAEBMN
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000255990418	572304722	/nfs/dbraw/zinc/30/47/22/572304722.db2.gz	NOLJYRUJKYFVMZ-RMPBONJYSA-N	0	1	748.883	-2.922	40	30		KAEBMN
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000255990419	572304695	/nfs/dbraw/zinc/30/46/95/572304695.db2.gz	NOLJYRUJKYFVMZ-RXZRQWQRSA-N	0	1	748.883	-2.922	40	30		KAEBMN
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000255990420	572304752	/nfs/dbraw/zinc/30/47/52/572304752.db2.gz	NOLJYRUJKYFVMZ-VMKZMFFZSA-N	0	1	748.883	-2.922	40	30		KAEBMN
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)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	572304836	/nfs/dbraw/zinc/30/48/36/572304836.db2.gz	QCZSKTVOHRZIAQ-IPJCAIGPSA-N	0	1	729.793	-5.886	40	30		KAEBMN
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)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	572304816	/nfs/dbraw/zinc/30/48/16/572304816.db2.gz	QCZSKTVOHRZIAQ-KYRVCDIISA-N	0	1	729.793	-5.886	40	30		KAEBMN
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)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	572304760	/nfs/dbraw/zinc/30/47/60/572304760.db2.gz	QCZSKTVOHRZIAQ-VTYCOLDWSA-N	0	1	729.793	-5.886	40	30		KAEBMN
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)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	572304787	/nfs/dbraw/zinc/30/47/87/572304787.db2.gz	QCZSKTVOHRZIAQ-XHHHBCLVSA-N	0	1	729.793	-5.886	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000255999774	572304914	/nfs/dbraw/zinc/30/49/14/572304914.db2.gz	RPAKYHDUWYQJQN-CZGNIMDHSA-N	0	1	635.723	-2.847	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000255999775	572304891	/nfs/dbraw/zinc/30/48/91/572304891.db2.gz	RPAKYHDUWYQJQN-LRGNLBRXSA-N	0	1	635.723	-2.847	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000256013041	572305123	/nfs/dbraw/zinc/30/51/23/572305123.db2.gz	YFLNMDICXALSPE-JSQVPHPLSA-N	0	1	782.900	-2.725	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000256013042	572305109	/nfs/dbraw/zinc/30/51/09/572305109.db2.gz	YFLNMDICXALSPE-JTXVVRDHSA-N	0	1	782.900	-2.725	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000256013043	572305113	/nfs/dbraw/zinc/30/51/13/572305113.db2.gz	YFLNMDICXALSPE-LCJMHDQGSA-N	0	1	782.900	-2.725	40	30		KAEBMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000256013044	572305104	/nfs/dbraw/zinc/30/51/04/572305104.db2.gz	YFLNMDICXALSPE-ZGLCPUQGSA-N	0	1	782.900	-2.725	40	30		KAEBMN