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](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003873090	552421043	/nfs/dbraw/zinc/42/10/43/552421043.db2.gz	URLZCHNOLZSCCA-ZLNRFVROSA-N	-1	1	555.632	-0.163	40	0	in-vivo	KBABMM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003873092	552421362	/nfs/dbraw/zinc/42/13/62/552421362.db2.gz	URLZCHNOLZSCCA-VJBWXMMDSA-N	-1	1	555.632	-0.163	40	0	in-vitro	KBABMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003873093	552421398	/nfs/dbraw/zinc/42/13/98/552421398.db2.gz	URLZCHNOLZSCCA-XPWALMASSA-N	-1	1	555.632	-0.163	40	0	in-vitro	KBABMM
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000014952106	553522381	/nfs/dbraw/zinc/52/23/81/553522381.db2.gz	URLZCHNOLZSCCA-ZRBLBEILSA-N	-1	1	555.632	-0.163	40	0	in-vivo	KBABMM
CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000014953744	553522428	/nfs/dbraw/zinc/52/24/28/553522428.db2.gz	YFGBQHOOROIVKG-FDFHNCONSA-N	-1	1	573.672	-0.456	40	0		KBABMM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000059126382	554381134	/nfs/dbraw/zinc/38/11/34/554381134.db2.gz	QFRLEUJNZXTNTR-YYOLRRQBSA-N	-1	1	591.706	-0.124	40	0		KBABMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000085574023	553684405	/nfs/dbraw/zinc/68/44/05/553684405.db2.gz	MHNSNPIYASDSCR-SZOBAZRNSA-N	-1	1	587.699	-0.067	40	0		KBABMM
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCl	ZINC000097943358	553768544	/nfs/dbraw/zinc/76/85/44/553768544.db2.gz	JSRLQUNMFYXVQD-XSLAGTTESA-N	-1	1	587.030	-0.895	40	0		KBABMM
CCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC	ZINC000100015283	554181217	/nfs/dbraw/zinc/18/12/17/554181217.db2.gz	BYCNULBOTLVAKR-LJOUXHCOSA-N	-1	1	530.504	-0.078	40	0	in-vitro	KBABMM
CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC	ZINC000100015287	554181336	/nfs/dbraw/zinc/18/13/36/554181336.db2.gz	BYCNULBOTLVAKR-NJOLZHPTSA-N	-1	1	530.504	-0.078	40	0	in-vitro	KBABMM
CO[C@@H]1CCCN(C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000585294148	1066203651	/nfs/dbraw/zinc/20/36/51/1066203651.db2.gz	RGGXGDYTOKOKSM-RTOMLYRKSA-N	-1	1	605.693	-0.865	40	0		KBABMM
CO[C@@H]1CCCN(C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1CCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000585294720	1066203208	/nfs/dbraw/zinc/20/32/08/1066203208.db2.gz	UTLYREACBJHMTN-IACLWVNRSA-N	-1	1	593.678	-0.294	40	0		KBABMM
CO[C@@H]1CCCN(C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1CCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000585295067	1066203104	/nfs/dbraw/zinc/20/31/04/1066203104.db2.gz	ZAFMTVBSSPVTQT-RTOMLYRKSA-N	-1	1	605.693	-0.865	40	0		KBABMM
CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)NC(C)=O	ZINC000604374027	1066212957	/nfs/dbraw/zinc/21/29/57/1066212957.db2.gz	OBVMZRZBGKRWMI-GVZXKLRDSA-N	-1	1	772.901	-0.374	40	0	biogenic,in-vitro	KBABMM
CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)NC(C)=O	ZINC000604374028	1066213123	/nfs/dbraw/zinc/21/31/23/1066213123.db2.gz	OBVMZRZBGKRWMI-IJJKDFASSA-N	-1	1	772.901	-0.374	40	0	biogenic,in-vitro	KBABMM
CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)NC(C)=O	ZINC000604374029	1066212978	/nfs/dbraw/zinc/21/29/78/1066212978.db2.gz	OBVMZRZBGKRWMI-YUXCKEPQSA-N	-1	1	772.901	-0.374	40	0	biogenic,in-vitro	KBABMM
CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)NC(C)=O	ZINC000604374030	1066213006	/nfs/dbraw/zinc/21/30/06/1066213006.db2.gz	OBVMZRZBGKRWMI-YYNVHWCFSA-N	-1	1	772.901	-0.374	40	0	biogenic,in-vitro	KBABMM