smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@@H](CC1CCN(C(N)=[NH2+])CC1)NS(=O)(=O)Cc1ccccc1	ZINC000003936295	561688655	/nfs/dbraw/zinc/68/86/55/561688655.db2.gz	HMQWIRFHNFIEBD-VQTJNVASSA-N	2	0	565.701	-1.467	1	30		KAEFRP
C[C@@H](O)[C@H]([NH3+])C(=O)NC1(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])CC(CC[NH3+])C1	ZINC000013604961	561721755	/nfs/dbraw/zinc/72/17/55/561721755.db2.gz	FHWDHXXHVBKMPQ-DHHDKABWSA-N	2	0	512.612	-3.078	1	30		KAEFRP
CO[C@@H]1[C@@H](CNC(N)=[NH2+])O[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](NC(N)=[NH2+])C[C@@H]2NC(N)=[NH2+])[C@H](NC(N)=[NH2+])[C@H]1OC	ZINC000014949075	561744993	/nfs/dbraw/zinc/74/49/93/561744993.db2.gz	DDPWNYDFUBXVGQ-MLFNNEOSSA-N	4	0	546.634	-5.240	1	30		KAEFRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O	ZINC000025970064	561763244	/nfs/dbraw/zinc/76/32/44/561763244.db2.gz	ZWQYYUHZZVNINP-VJANTYMQSA-N	2	0	529.708	-1.615	1	30		KAEFRP
C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(N)=O	ZINC000026162139	561768677	/nfs/dbraw/zinc/76/86/77/561768677.db2.gz	HXLXOFNHJPAVCZ-XUJYPJAKSA-O	3	0	640.810	-1.016	1	30		KAEFRP
C[N+](C)(C)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O	ZINC000026172855	561770309	/nfs/dbraw/zinc/77/03/09/561770309.db2.gz	UYFVABWFCNUFPW-NFGXINMFSA-O	3	0	640.810	-1.016	1	30		KAEFRP
C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O	ZINC000026174353	561770645	/nfs/dbraw/zinc/77/06/45/561770645.db2.gz	LHNWVKNNZQIKAL-CQJMVLFOSA-O	3	0	626.783	-1.406	1	30		KAEFRP
C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N2	ZINC000026246768	561773420	/nfs/dbraw/zinc/77/34/20/561773420.db2.gz	HKQLOQBPSFRHFR-VXKWHMMOSA-O	2	0	647.779	-2.300	1	30		KAEFRP
CN(CC(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@@H]1O)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026397370	561787416	/nfs/dbraw/zinc/78/74/16/561787416.db2.gz	ABJUGLXDGYDGLY-RMJJICAUSA-N	2	0	538.675	-1.432	1	30		KAEFRP
CN(CC(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@@H]1O)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026397374	561787412	/nfs/dbraw/zinc/78/74/12/561787412.db2.gz	ABJUGLXDGYDGLY-GNBUJSLZSA-N	2	0	538.675	-1.432	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)C[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026575835	561799531	/nfs/dbraw/zinc/79/95/31/561799531.db2.gz	FLEUBNLTLSUBLT-KEOOTSPTSA-N	2	0	733.847	-2.974	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH3+])CO)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026576056	561799893	/nfs/dbraw/zinc/79/98/93/561799893.db2.gz	NKOJGGUHRBSHDR-FRSCJGFNSA-N	2	0	745.883	-3.752	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026576057	561799850	/nfs/dbraw/zinc/79/98/50/561799850.db2.gz	VQIGKRLMMWOYFJ-IRGGMKSGSA-N	2	0	743.911	-2.333	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)C[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026576348	561800114	/nfs/dbraw/zinc/80/01/14/561800114.db2.gz	BEZYRNRAIFQESF-BONDPLATSA-N	2	0	729.884	-2.723	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026576444	561800279	/nfs/dbraw/zinc/80/02/79/561800279.db2.gz	AHOVGMFRCUVVFZ-YNAZAZDCSA-N	2	0	729.884	-2.725	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)CC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026577145	561801038	/nfs/dbraw/zinc/80/10/38/561801038.db2.gz	GIEKFSFVFYDMQO-ZEEZOPKCSA-N	2	0	743.911	-2.333	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026577226	561801299	/nfs/dbraw/zinc/80/12/99/561801299.db2.gz	AVUJPGYKMKFIGO-LROMGURASA-N	2	0	729.884	-2.723	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)CC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026577406	561801581	/nfs/dbraw/zinc/80/15/81/561801581.db2.gz	HVBWGFUABMWFRT-LROMGURASA-N	2	0	747.874	-2.584	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026577604	561801921	/nfs/dbraw/zinc/80/19/21/561801921.db2.gz	VEHFWRBIDFRDGN-KEOOTSPTSA-N	2	0	715.857	-3.113	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000026578410	561803243	/nfs/dbraw/zinc/80/32/43/561803243.db2.gz	XKVCYXUREAWDIP-KEOOTSPTSA-N	2	0	733.847	-2.974	1	30		KAEFRP
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026640585	561806467	/nfs/dbraw/zinc/80/64/67/561806467.db2.gz	JNIADLPLELULNS-PBBJABAXSA-N	2	0	656.789	-1.230	1	30		KAEFRP
CC[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000026986392	561832054	/nfs/dbraw/zinc/83/20/54/561832054.db2.gz	VKIUOJVRHAWFDB-VMXHOPILSA-N	2	0	571.724	-2.714	1	30		KAEFRP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000026994955	561833119	/nfs/dbraw/zinc/83/31/19/561833119.db2.gz	LZWMJTPEKRYITR-LJZWMIMPSA-N	2	0	595.677	-3.157	1	30		KAEFRP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(N)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000026994961	561833115	/nfs/dbraw/zinc/83/31/15/561833115.db2.gz	HULWHFAFZLPEJW-LJZWMIMPSA-N	2	0	592.702	-3.714	1	30		KAEFRP
CC[C@H](C)[C@@H](C[NH2+]CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000027075684	561834086	/nfs/dbraw/zinc/83/40/86/561834086.db2.gz	MPSPEAPMFMBKRX-KJRRRBQDSA-N	3	0	579.703	-3.117	1	30		KAEFRP
CC[C@H](C)[C@H](NC[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027075691	561834235	/nfs/dbraw/zinc/83/42/35/561834235.db2.gz	NKKCROXIGIDKDR-VSDQCSMASA-N	2	0	579.703	-3.117	1	30		KAEFRP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCCN[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027077619	561834502	/nfs/dbraw/zinc/83/45/02/561834502.db2.gz	ALWUMNONVNKBTF-JMMIECQRSA-N	2	0	579.703	-3.117	1	30		KAEFRP
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)N(C=O)C[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000027077624	561834478	/nfs/dbraw/zinc/83/44/78/561834478.db2.gz	ORLJLDFSCHDLFH-UHBSTBSXSA-N	2	0	607.713	-3.248	1	30		KAEFRP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C[NH2+][C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027080858	561834980	/nfs/dbraw/zinc/83/49/80/561834980.db2.gz	CVSXFTRRMQMWLE-VEQFOHNZSA-N	3	0	579.703	-3.117	1	30		KAEFRP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027082122	561835353	/nfs/dbraw/zinc/83/53/53/561835353.db2.gz	YGKLZFVVCMLYTM-UPNGQEOPSA-N	2	0	577.687	-3.296	1	30		KAEFRP
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027094591	561837836	/nfs/dbraw/zinc/83/78/36/561837836.db2.gz	QZBCCBNCZCCEOL-LOVVWNRFSA-N	2	0	689.841	-4.501	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027099368	561838380	/nfs/dbraw/zinc/83/83/80/561838380.db2.gz	NIPZTEUMXAUJAG-KNOXWWKRSA-N	2	0	673.776	-3.928	1	30		KAEFRP
C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027101671	561838864	/nfs/dbraw/zinc/83/88/64/561838864.db2.gz	DQSUKVUGKJIECD-YTFOTSKYSA-N	2	0	547.683	-3.510	1	30		KAEFRP
C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027102062	561838946	/nfs/dbraw/zinc/83/89/46/561838946.db2.gz	HFXSJXXVVKITFQ-RABCQHRBSA-N	3	0	675.858	-3.897	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027102087	561838988	/nfs/dbraw/zinc/83/89/88/561838988.db2.gz	NIPZTEUMXAUJAG-YFNVTMOMSA-N	2	0	673.776	-3.928	1	30		KAEFRP
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])C(C)C)C(N)=O	ZINC000027103263	561839248	/nfs/dbraw/zinc/83/92/48/561839248.db2.gz	UIMVQLFLBZVKEF-VGWMRTNUSA-N	2	0	534.753	-1.531	1	30		KAEFRP
C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027103826	561839564	/nfs/dbraw/zinc/83/95/64/561839564.db2.gz	HGMODBXLPCHONB-YTFOTSKYSA-N	2	0	547.683	-3.510	1	30		KAEFRP
C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027105197	561839827	/nfs/dbraw/zinc/83/98/27/561839827.db2.gz	LPFQRWBHTAFIMS-YTFOTSKYSA-N	2	0	531.615	-4.448	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027330733	561854901	/nfs/dbraw/zinc/85/49/01/561854901.db2.gz	WKUOYOANNRVFKI-ATIWLJMLSA-N	2	0	557.697	-3.104	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331018	561854865	/nfs/dbraw/zinc/85/48/65/561854865.db2.gz	YDMVALDGYNDICQ-MQBSTWLZSA-N	2	0	591.714	-2.907	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331047	561854893	/nfs/dbraw/zinc/85/48/93/561854893.db2.gz	APSSILGMJCUGQC-NHKCCNDQSA-N	2	0	632.811	-1.271	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331339	561854992	/nfs/dbraw/zinc/85/49/92/561854992.db2.gz	AMMXVTGFEZTKKO-KEOOTSPTSA-N	2	0	647.822	-1.539	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331623	561855149	/nfs/dbraw/zinc/85/51/49/561855149.db2.gz	FYMCTHKYFCYHKY-KEOOTSPTSA-N	2	0	647.822	-1.539	1	30		KAEFRP
CSCC[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(N)=O	ZINC000027331805	561855135	/nfs/dbraw/zinc/85/51/35/561855135.db2.gz	PRBFFNTZORGLNT-CQJMVLFOSA-N	2	0	728.877	-2.517	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331954	561855176	/nfs/dbraw/zinc/85/51/76/561855176.db2.gz	CDBPTZOOUNAWQA-DFWAIWNTSA-N	2	0	633.795	-1.881	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027332064	561855256	/nfs/dbraw/zinc/85/52/56/561855256.db2.gz	AIAFPQMEAICSMM-LROMGURASA-N	3	0	702.906	-1.820	1	30		KAEFRP
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027406433	561855507	/nfs/dbraw/zinc/85/55/07/561855507.db2.gz	CDBPTZOOUNAWQA-NLPWIYRPSA-N	2	0	633.795	-1.881	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027406437	561855549	/nfs/dbraw/zinc/85/55/49/561855549.db2.gz	CDBPTZOOUNAWQA-QCCYXRBGSA-N	2	0	633.795	-1.881	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027409630	561856119	/nfs/dbraw/zinc/85/61/19/561856119.db2.gz	CDBPTZOOUNAWQA-HTUFRPJOSA-N	2	0	633.795	-1.881	1	30		KAEFRP
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(N)=O	ZINC000027411289	561856374	/nfs/dbraw/zinc/85/63/74/561856374.db2.gz	SXPXRYJWQNFJFB-FWEHEUNISA-N	2	0	710.837	-2.224	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027412489	561856545	/nfs/dbraw/zinc/85/65/45/561856545.db2.gz	IZNMQRXJXGYBJH-MQBSTWLZSA-N	2	0	591.714	-2.907	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C[NH3+])cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414070	561856834	/nfs/dbraw/zinc/85/68/34/561856834.db2.gz	NQSMGCWXCLKVOF-WIGBTLJFSA-N	3	0	646.838	-1.395	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414766	561856922	/nfs/dbraw/zinc/85/69/22/561856922.db2.gz	FFUWWYLBSBQXMR-RSYUGDCRSA-N	3	0	678.815	-2.707	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414772	561856974	/nfs/dbraw/zinc/85/69/74/561856974.db2.gz	CLVBPYKEZCTURW-RSYUGDCRSA-N	3	0	678.815	-2.707	1	30		KAEFRP
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027419955	561857591	/nfs/dbraw/zinc/85/75/91/561857591.db2.gz	CDBPTZOOUNAWQA-LKTXNROYSA-N	2	0	633.795	-1.881	1	30		KAEFRP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@]1(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])CC[C@H]1C	ZINC000027547131	561867086	/nfs/dbraw/zinc/86/70/86/561867086.db2.gz	ZZLUVDITJJLBIQ-VWZVOIQDSA-N	2	0	514.628	-2.784	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027548843	561867505	/nfs/dbraw/zinc/86/75/05/561867505.db2.gz	SXWGVHDNMNEMRU-AFTJIJFZSA-N	2	0	703.792	-1.406	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027548868	561867467	/nfs/dbraw/zinc/86/74/67/561867467.db2.gz	MRJFAAOZMNIVKD-GIDFYXQGSA-N	2	0	647.822	-1.491	1	30		KAEFRP
COc1ccc(C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc1	ZINC000027551870	561868128	/nfs/dbraw/zinc/86/81/28/561868128.db2.gz	OUPZNRHIRJACFI-KEOOTSPTSA-N	2	0	663.821	-1.872	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027552104	561868200	/nfs/dbraw/zinc/86/82/00/561868200.db2.gz	IXTCSLLMVXSDRL-QCCYXRBGSA-N	2	0	651.785	-1.742	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027552326	561868358	/nfs/dbraw/zinc/86/83/58/561868358.db2.gz	OOTVMZDDWGNSPD-APNLASKRSA-N	2	0	697.813	-1.319	1	30		KAEFRP
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cccc(O)c1)NC(N)=[NH2+])[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000027561116	561870765	/nfs/dbraw/zinc/87/07/65/561870765.db2.gz	XRVZPXUXUMDJIC-CQJMVLFOSA-N	2	0	668.800	-1.117	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(N)=O	ZINC000027751861	561883253	/nfs/dbraw/zinc/88/32/53/561883253.db2.gz	LCKZFWNZLABYEW-XQUALCHDSA-N	3	0	597.721	-1.763	1	30		KAEFRP
CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000028013901	561896996	/nfs/dbraw/zinc/89/69/96/561896996.db2.gz	KLVHREMVWLHDIP-MQWPULPWSA-N	2	0	682.828	-3.478	1	30		KAEFRP
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O	ZINC000028017970	561897914	/nfs/dbraw/zinc/89/79/14/561897914.db2.gz	OASDKNFAGRRSIT-LZFDFFMTSA-N	3	0	702.862	-2.654	1	30		KAEFRP
C[C@@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C1=O	ZINC000028019752	561898270	/nfs/dbraw/zinc/89/82/70/561898270.db2.gz	LPFLMNIOFAPRFO-PNKHAZJDSA-N	2	0	580.691	-3.602	1	30		KAEFRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028020215	561898203	/nfs/dbraw/zinc/89/82/03/561898203.db2.gz	QUHZYAJPVZRANZ-VGWMRTNUSA-N	2	0	527.627	-3.322	1	30		KAEFRP
C[C@@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C1=O	ZINC000028020820	561898386	/nfs/dbraw/zinc/89/83/86/561898386.db2.gz	YLFKBXBWQKBCKK-YHDCXSKOSA-N	3	0	580.735	-2.738	1	30		KAEFRP
C[C@@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C1=O	ZINC000028085708	561898987	/nfs/dbraw/zinc/89/89/87/561898987.db2.gz	KOCPNYPBRCYYPB-JJXSEGSLSA-N	2	0	509.612	-3.236	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028087603	561899453	/nfs/dbraw/zinc/89/94/53/561899453.db2.gz	KCFHMBXKJQJYFK-QORCZRPOSA-N	2	0	682.739	-1.971	1	30		KAEFRP
C[C@@H]1NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](CCCC[NH3+])NC1=O	ZINC000028091599	561899945	/nfs/dbraw/zinc/89/99/45/561899945.db2.gz	AGVCCKVVJQPJOF-SIRPWMCASA-N	2	0	523.639	-2.847	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O	ZINC000028264169	561912506	/nfs/dbraw/zinc/91/25/06/561912506.db2.gz	HLNBZYKOBLAYTJ-BDTNDASRSA-N	2	0	538.653	-1.186	1	30		KAEFRP
CN(CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=[NH2+])NC1=O)C(N)=[NH2+]	ZINC000028344929	561914631	/nfs/dbraw/zinc/91/46/31/561914631.db2.gz	NQCFYKOZHGREEQ-HOTGVXAUSA-N	2	0	510.644	-2.188	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCNC(N)=[NH2+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028474985	561927728	/nfs/dbraw/zinc/92/77/28/561927728.db2.gz	XYNJMRDMTUJTTG-LAJGZZDBSA-N	2	0	715.816	-1.674	1	30	in-vitro	KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC[NH3+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028476206	561928096	/nfs/dbraw/zinc/92/80/96/561928096.db2.gz	HARPNEHNTFUJLG-LAJGZZDBSA-N	2	0	673.775	-1.198	1	30	in-vitro	KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](NC(N)=[NH2+])CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028477024	561928468	/nfs/dbraw/zinc/92/84/68/561928468.db2.gz	LJEYFXLNHZFXCI-ZHIRGERTSA-N	2	0	727.827	-1.579	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000028477171	561928378	/nfs/dbraw/zinc/92/83/78/561928378.db2.gz	MBXBICVKLVYNKD-GIFPIDKJSA-N	2	0	729.843	-1.284	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(N)=[NH2+])C/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028477788	561928647	/nfs/dbraw/zinc/92/86/47/561928647.db2.gz	XUSHRSKCJWTASB-BUQUWYIASA-N	2	0	663.784	-1.526	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(N)=[NH2+])CC/C=C\CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028477870	561928674	/nfs/dbraw/zinc/92/86/74/561928674.db2.gz	DUEUAZXNNMLCAF-QNEOFRRRSA-N	2	0	677.811	-1.136	1	30		KAEFRP
NC(=O)OC[C@@H](CCCC[NH3+])NC(=O)CN(CCCC[NH3+])C(=O)OC[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000028526373	561932010	/nfs/dbraw/zinc/93/20/10/561932010.db2.gz	DHNLLBBYYSJIMO-JKSUJKDBSA-N	3	0	534.619	-1.924	1	30		KAEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565092	561935907	/nfs/dbraw/zinc/93/59/07/561935907.db2.gz	SYXUZVGQAZAZDV-ROHNOIKCSA-N	3	0	659.837	-1.135	1	30		KAEFRP
C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565101	561935978	/nfs/dbraw/zinc/93/59/78/561935978.db2.gz	XSRSJSNVABGFOB-QESAQDPVSA-N	3	0	617.756	-1.886	1	30		KAEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000028565125	561935938	/nfs/dbraw/zinc/93/59/38/561935938.db2.gz	ZUMDFMXFXSCLBN-ZJZGAYNASA-N	3	0	674.852	-1.849	1	30		KAEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565239	561935999	/nfs/dbraw/zinc/93/59/99/561935999.db2.gz	SYXUZVGQAZAZDV-OJJQZRKESA-N	3	0	659.837	-1.135	1	30		KAEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028565258	561935981	/nfs/dbraw/zinc/93/59/81/561935981.db2.gz	SYXUZVGQAZAZDV-JBXUNAHCSA-N	3	0	659.837	-1.135	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028565402	561936164	/nfs/dbraw/zinc/93/61/64/561936164.db2.gz	CRKQUWSYBPTKBS-LJWNLINESA-N	3	0	693.854	-1.083	1	30		KAEFRP
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)[C@@H](C)O	ZINC000028565462	561936180	/nfs/dbraw/zinc/93/61/80/561936180.db2.gz	ANWYVYIZCXYMEK-PMAMDCHESA-N	2	0	619.768	-1.522	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1	ZINC000028565488	561936209	/nfs/dbraw/zinc/93/62/09/561936209.db2.gz	DQZUJKMVUCHDJV-UFYCRDLUSA-N	3	0	546.677	-1.391	1	30		KAEFRP
CCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028567753	561936910	/nfs/dbraw/zinc/93/69/10/561936910.db2.gz	SYXUZVGQAZAZDV-NDBXHCKUSA-N	3	0	659.837	-1.135	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029329236	562013575	/nfs/dbraw/zinc/01/35/75/562013575.db2.gz	GRRYUUOMDDAEJK-WHHDSKRTSA-N	3	0	701.837	-1.191	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000029338471	562014815	/nfs/dbraw/zinc/01/48/15/562014815.db2.gz	CJPRHIHRLZZAPV-SZMVWBNQSA-N	3	0	515.623	-2.400	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000029339166	562014859	/nfs/dbraw/zinc/01/48/59/562014859.db2.gz	SVUHCDHRJXQSAX-WHHDSKRTSA-N	3	0	701.837	-1.191	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029341762	562015374	/nfs/dbraw/zinc/01/53/74/562015374.db2.gz	PSQKTPQWGHVIPC-WHHDSKRTSA-N	3	0	701.837	-1.191	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000029342457	562015611	/nfs/dbraw/zinc/01/56/11/562015611.db2.gz	TYXLHQSDADSIAB-SJORKVTESA-N	2	0	525.636	-2.199	1	30		KAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000029342527	562015627	/nfs/dbraw/zinc/01/56/27/562015627.db2.gz	SJBZPPPMQQKTTO-JYJNAYRXSA-N	2	0	511.628	-1.338	1	30		KAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000029342529	562015597	/nfs/dbraw/zinc/01/55/97/562015597.db2.gz	SJBZPPPMQQKTTO-PMPSAXMXSA-N	2	0	511.628	-1.338	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)CCc1cccc2ccccc21	ZINC000029343017	562015701	/nfs/dbraw/zinc/01/57/01/562015701.db2.gz	CCYAZQNUNYWFGW-IRLDBZIGSA-N	2	0	589.723	-1.003	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)CCc1ccccc1	ZINC000029343021	562015746	/nfs/dbraw/zinc/01/57/46/562015746.db2.gz	YXKJHLAKPSDFQW-MSOLQXFVSA-N	2	0	539.663	-2.366	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)CCc1ccccc1	ZINC000029343025	562015751	/nfs/dbraw/zinc/01/57/51/562015751.db2.gz	YXKJHLAKPSDFQW-ROUUACIJSA-N	2	0	539.663	-2.366	1	30		KAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000029343234	562015742	/nfs/dbraw/zinc/01/57/42/562015742.db2.gz	SJBZPPPMQQKTTO-HRCADAONSA-N	2	0	511.628	-1.338	1	30		KAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000029343238	562015794	/nfs/dbraw/zinc/01/57/94/562015794.db2.gz	SJBZPPPMQQKTTO-OWCLPIDISA-N	2	0	511.628	-1.338	1	30		KAEFRP
CN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000029346405	562016315	/nfs/dbraw/zinc/01/63/15/562016315.db2.gz	JCNLZVRNXSDYLN-ROUUACIJSA-N	2	0	539.663	-2.276	1	30		KAEFRP
CN(CC(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000029346409	562016401	/nfs/dbraw/zinc/01/64/01/562016401.db2.gz	JCNLZVRNXSDYLN-MSOLQXFVSA-N	2	0	539.663	-2.276	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000033974726	562037950	/nfs/dbraw/zinc/03/79/50/562037950.db2.gz	TYXLHQSDADSIAB-DLBZAZTESA-N	2	0	525.636	-2.199	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000036140573	562048032	/nfs/dbraw/zinc/04/80/32/562048032.db2.gz	TYXLHQSDADSIAB-IRXDYDNUSA-N	2	0	525.636	-2.199	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)CCc1cccc2ccccc21	ZINC000036140576	562048030	/nfs/dbraw/zinc/04/80/30/562048030.db2.gz	CCYAZQNUNYWFGW-UNMCSNQZSA-N	2	0	589.723	-1.003	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H]([NH3+])C(=O)[O-]	ZINC000036216075	562051138	/nfs/dbraw/zinc/05/11/38/562051138.db2.gz	NLDLKWGYMSAECU-AFXVXQJMSA-N	2	0	584.678	-1.554	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC[C@H]([NH3+])C(=O)[O-]	ZINC000036216077	562051272	/nfs/dbraw/zinc/05/12/72/562051272.db2.gz	NLDLKWGYMSAECU-WBADGQHESA-N	2	0	584.678	-1.554	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@@H]([NH3+])C(=O)[O-]	ZINC000036216079	562051236	/nfs/dbraw/zinc/05/12/36/562051236.db2.gz	NLDLKWGYMSAECU-ODAXIHTASA-N	2	0	584.678	-1.554	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC[C@@H]([NH3+])C(=O)[O-]	ZINC000036216082	562051245	/nfs/dbraw/zinc/05/12/45/562051245.db2.gz	NLDLKWGYMSAECU-SSGKUCQKSA-N	2	0	584.678	-1.554	1	30		KAEFRP
CCCCCCCC[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000036352020	562059655	/nfs/dbraw/zinc/05/96/55/562059655.db2.gz	PZZFRTGTVFUGHE-UDHQNBHYSA-N	2	0	500.593	-1.074	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1	ZINC000040423127	562076191	/nfs/dbraw/zinc/07/61/91/562076191.db2.gz	FMJYBUMNBYCZOU-BZSNNMDCSA-N	2	0	504.592	-1.779	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])Nc1cccnc1	ZINC000040972330	562086965	/nfs/dbraw/zinc/08/69/65/562086965.db2.gz	AAJHXGGAQOPSEI-FHWLQOOXSA-N	3	0	519.655	-1.314	1	30		KAEFRP
CCN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000043322482	562647656	/nfs/dbraw/zinc/64/76/56/562647656.db2.gz	OXWKGUPTXGAGTP-XZOQPEGZSA-N	2	0	604.734	-1.345	1	30		KAEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+])[C@H](Cc1ccc(F)cc1)C(N)=O	ZINC000043322590	562647689	/nfs/dbraw/zinc/64/76/89/562647689.db2.gz	FNFAGAANBMKHAD-XPWALMASSA-N	2	0	628.710	-1.685	1	30		KAEFRP
CCN(CCc1ccco1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043322801	562647740	/nfs/dbraw/zinc/64/77/40/562647740.db2.gz	YBOBKGOPJXIIRN-RTWAWAEBSA-N	2	0	557.656	-1.085	1	30		KAEFRP
COc1ccc(C(=O)OC[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)cc1	ZINC000043323089	562647785	/nfs/dbraw/zinc/64/77/85/562647785.db2.gz	MRCIQWWOLZTFQV-JBACZVJFSA-N	2	0	620.712	-2.301	1	30		KAEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000043641108	562650518	/nfs/dbraw/zinc/65/05/18/562650518.db2.gz	IETQMCPDGRVWQZ-YTFSRNRJSA-N	2	0	613.676	-1.230	1	30		KAEFRP
CN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000043649037	562650582	/nfs/dbraw/zinc/65/05/82/562650582.db2.gz	OOBXJXQCMHPXOR-BHDDXSALSA-N	2	0	599.649	-1.620	1	30		KAEFRP
CCN(CCc1ccc([N+](=O)[O-])o1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000043649069	562650573	/nfs/dbraw/zinc/65/05/73/562650573.db2.gz	JQIUYIKONNVSMG-UXHICEINSA-N	2	0	602.653	-1.176	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000044351933	562654906	/nfs/dbraw/zinc/65/49/06/562654906.db2.gz	PYHRZUGMASCJOJ-MUGJNUQGSA-N	2	0	625.753	-2.761	1	30		KAEFRP
NC(=[NH2+])NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000044405808	562656727	/nfs/dbraw/zinc/65/67/27/562656727.db2.gz	NEFZBDYSATZNQW-FKBYEOEOSA-N	3	0	574.731	-1.072	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1	ZINC000044405999	562656790	/nfs/dbraw/zinc/65/67/90/562656790.db2.gz	QSXCIEIRBMLHBG-ACRUOGEOSA-N	3	0	560.704	-1.462	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1	ZINC000044406177	562656794	/nfs/dbraw/zinc/65/67/94/562656794.db2.gz	DIXFVPTYQCGGDJ-ACRUOGEOSA-N	2	0	561.688	-1.277	1	30		KAEFRP
NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000044406309	562656849	/nfs/dbraw/zinc/65/68/49/562656849.db2.gz	KPUJIYGVRZRAEP-FKBYEOEOSA-N	3	0	574.731	-1.072	1	30		KAEFRP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000049606010	562666484	/nfs/dbraw/zinc/66/64/84/562666484.db2.gz	CRAOUXYYLRPWFK-GJVPGRKHSA-N	3	0	721.821	-5.560	1	30		KAEFRP
CC(C)C[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709972	562671512	/nfs/dbraw/zinc/67/15/12/562671512.db2.gz	SOXWCWMBXJAUPH-IRGGMKSGSA-N	2	0	679.816	-1.292	1	30		KAEFRP
CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+])[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000049771719	562678347	/nfs/dbraw/zinc/67/83/47/562678347.db2.gz	PRUYZHWCLYYXFJ-XPWALMASSA-N	2	0	655.717	-1.915	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049778231	562681110	/nfs/dbraw/zinc/68/11/10/562681110.db2.gz	SUNPDQJDGHFTAE-UIGMUVSQSA-N	3	0	728.900	-2.173	1	30		KAEFRP
CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000049784608	562683681	/nfs/dbraw/zinc/68/36/81/562683681.db2.gz	RCHDRTLTCMAOTC-QBTKNGQNSA-N	2	0	615.725	-1.689	1	30		KAEFRP
CCN(CCc1ccc(S(N)(=O)=O)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000049808479	562686686	/nfs/dbraw/zinc/68/66/86/562686686.db2.gz	FHGTYFKZLHAIPO-PKTZIBPZSA-N	2	0	646.775	-2.030	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1	ZINC000049881605	562690965	/nfs/dbraw/zinc/69/09/65/562690965.db2.gz	ZWFKJQUSBJZKNB-ACRUOGEOSA-N	3	0	560.704	-1.462	1	30		KAEFRP
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000049888787	562691453	/nfs/dbraw/zinc/69/14/53/562691453.db2.gz	HOWQAPNMTUAUGQ-RSYUGDCRSA-N	2	0	668.818	-2.390	1	30		KAEFRP
C#CCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])CN1CCC[C@H]1C(N)=O	ZINC000049899610	562693295	/nfs/dbraw/zinc/69/32/95/562693295.db2.gz	BMSCBTQTDDOCMY-MLCQCVOFSA-N	2	0	660.825	-2.657	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049952333	562695770	/nfs/dbraw/zinc/69/57/70/562695770.db2.gz	HALIPSUCQAYQBX-KRCBVYEFSA-N	2	0	743.874	-1.014	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049952339	562695762	/nfs/dbraw/zinc/69/57/62/562695762.db2.gz	CWWSYWKOUASOEZ-KRCBVYEFSA-N	2	0	743.874	-1.014	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000064527216	562706830	/nfs/dbraw/zinc/70/68/30/562706830.db2.gz	KJVVMRURBCSZHH-QAETUUGQSA-N	3	0	590.752	-3.580	1	30		KAEFRP
CC(=O)N[C@@H](CCC[NH3+])CC(=O)N[C@H]1[C@H](NC2=[NH+][C@H]3[C@@H](N2)C(=O)NC[C@H]3O)O[C@H](COC(N)=O)[C@H](O)[C@H]1O	ZINC000072107403	562721255	/nfs/dbraw/zinc/72/12/55/562721255.db2.gz	MYRPVAWPYJQSCI-LONWOEDZSA-N	2	0	544.566	-5.576	1	30		KAEFRP
CC(=O)N[C@@H](CCC[NH3+])CC(=O)N[C@H]1[C@H](NC2=[NH+][C@H]3[C@H](N2)C(=O)NC[C@H]3O)O[C@H](COC(N)=O)[C@H](O)[C@H]1O	ZINC000072107608	562721278	/nfs/dbraw/zinc/72/12/78/562721278.db2.gz	MYRPVAWPYJQSCI-NNXJIFFLSA-N	2	0	544.566	-5.576	1	30		KAEFRP
CC(=O)N[C@@H](CCC[NH3+])CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](COC(N)=O)O[C@@H]1NC1=[NH+][C@H]2[C@H](N1)C(=O)NC[C@H]2O	ZINC000072107656	562721320	/nfs/dbraw/zinc/72/13/20/562721320.db2.gz	MYRPVAWPYJQSCI-NCZVIPPYSA-N	2	0	544.566	-5.576	1	30		KAEFRP
CC(=O)N[C@@H](CCC[NH3+])CC(=O)N[C@H]1[C@H](NC2=[NH+][C@H]([C@H](O)C[NH3+])[C@@H](C(=O)[O-])N2)O[C@H](COC(N)=O)[C@H](O)[C@H]1O	ZINC000072107737	562721343	/nfs/dbraw/zinc/72/13/43/562721343.db2.gz	LDYDNDBXTDINHR-VSELPKQMSA-N	2	0	562.581	-5.663	1	30		KAEFRP
NC(=O)OC[C@H]1O[C@@H](NC2=[NH+][C@H]3[C@H](N2)C(=O)NC[C@H]3O)[C@H](NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)[C@H]1O	ZINC000072109057	562721537	/nfs/dbraw/zinc/72/15/37/562721537.db2.gz	TWWOHQBJOSKKBN-SNQQVPMJSA-N	4	0	630.704	-6.140	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1	ZINC000072175768	562731408	/nfs/dbraw/zinc/73/14/08/562731408.db2.gz	AUZOWJWJFBLPNO-HJOGWXRNSA-N	3	0	682.856	-1.260	1	30		KAEFRP
[NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000082186860	562742514	/nfs/dbraw/zinc/74/25/14/562742514.db2.gz	ZWGOKDNSKZQSRL-ROHNOIKCSA-N	4	0	662.789	-1.289	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000084587479	562743562	/nfs/dbraw/zinc/74/35/62/562743562.db2.gz	NHJDWYLZIAQUSI-UDIDDNNKSA-N	2	0	682.805	-2.946	1	30		KAEFRP
C=C[C@@H]1[C@H](C=Cc2c[n+](CCO)cc(C(=O)[O-])c2NC(=[NH2+])NCCCO)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC[NH2+]C	ZINC000085493274	565128326	/nfs/dbraw/zinc/12/83/26/565128326.db2.gz	OJUZUNWJMKTRIP-KMFRULJTSA-O	2	0	696.731	-2.555	1	30	biogenic,in-vitro	KAEFRP
C=C[C@@H]1[C@H](C=Cc2c[n+](CCO)cc(C(=O)[O-])c2NC(=[NH2+])NC)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)C(O)(O)[C@H]1OC[NH2+]C	ZINC000085493289	565128345	/nfs/dbraw/zinc/12/83/45/565128345.db2.gz	VVLHXJDHFVCUNX-WNOJHDRPSA-O	2	0	668.677	-2.987	1	30	biogenic,in-vitro	KAEFRP
C=C[C@@H]1[C@H](C=Cc2c[n+](CCO)cc(C(=O)[O-])c2NC(=[NH2+])NC)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC[NH2+]C	ZINC000085493340	565128360	/nfs/dbraw/zinc/12/83/60/565128360.db2.gz	PGGQZEQOFRTOBT-DEGNUYRVSA-O	2	0	652.678	-2.307	1	30	biogenic,in-vitro	KAEFRP
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH2+]C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O	ZINC000095543521	562757307	/nfs/dbraw/zinc/75/73/07/562757307.db2.gz	RYADOBFGTAMGAN-BDECNRRISA-N	2	0	756.910	-2.215	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)CCC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095544679	562757779	/nfs/dbraw/zinc/75/77/79/562757779.db2.gz	WPUCPEWHWLFOIO-IRGGMKSGSA-N	2	0	761.901	-2.194	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095546480	562758483	/nfs/dbraw/zinc/75/84/83/562758483.db2.gz	MIABUWQWFSMKAY-LLGBQNBKSA-N	2	0	770.808	-2.118	1	30		KAEFRP
C[C@@H]1NC(=O)[C@@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCC[NH3+])NC(=O)CNC1=O	ZINC000095553939	562761126	/nfs/dbraw/zinc/76/11/26/562761126.db2.gz	FNKIQVGOYIYPCY-GFJXEVPCSA-N	3	0	787.946	-6.396	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[C@@]1(C)CO1	ZINC000095581468	562772197	/nfs/dbraw/zinc/77/21/97/562772197.db2.gz	FOEYGZQGQWCGML-CFLDLGCGSA-N	2	0	525.655	-1.609	1	30		KAEFRP
NC(=O)O[C@@H]1[C@@H](CO)O[C@@H](NC2=[NH+][C@H]3[C@H](N2)C(=O)NC[C@H]3O)[C@H](NC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H]1O	ZINC000095590562	562775319	/nfs/dbraw/zinc/77/53/19/562775319.db2.gz	NRAUADCLPJTGSF-ZPGVOIKOSA-N	3	0	502.529	-5.754	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000095606334	562782021	/nfs/dbraw/zinc/78/20/21/562782021.db2.gz	SNRZRTRNGQJTPZ-BCAOEVRMSA-N	2	0	774.925	-2.550	1	30		KAEFRP
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000095606391	562782048	/nfs/dbraw/zinc/78/20/48/562782048.db2.gz	MUUUGJBYOYXOHN-ULDBFQRKSA-N	2	0	774.925	-2.550	1	30		KAEFRP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)COc1ccc(C2N(O)C(C)(C)C(C)(C)[N+]2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095606639	562782248	/nfs/dbraw/zinc/78/22/48/562782248.db2.gz	BPDIODOAVAGPEB-OXCFDMGDSA-N	2	0	817.946	-1.567	1	30		KAEFRP
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O	ZINC000095606678	562782275	/nfs/dbraw/zinc/78/22/75/562782275.db2.gz	GAXZMAYHNMXQEF-PHDILBGCSA-N	3	0	790.971	-1.340	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000095609660	562783895	/nfs/dbraw/zinc/78/38/95/562783895.db2.gz	QHQOLFHYWGXCPO-IIZANFQQSA-N	2	0	750.902	-1.349	1	30		KAEFRP
C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095609754	562783968	/nfs/dbraw/zinc/78/39/68/562783968.db2.gz	PKLBEAYMSMTYAY-FWEHEUNISA-N	3	0	795.947	-1.195	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)CCC[NH3+])CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095610456	562784427	/nfs/dbraw/zinc/78/44/27/562784427.db2.gz	XFXUGPCYZIMQSK-KLMIGJKJSA-N	2	0	757.938	-1.943	1	30		KAEFRP
CN(CC(=O)Nc1ccc2c(c1)C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO2)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000095610763	562784573	/nfs/dbraw/zinc/78/45/73/562784573.db2.gz	OFAZVSWKDMIBRU-CKOJHNACSA-N	2	0	784.835	-1.775	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095610921	562784708	/nfs/dbraw/zinc/78/47/08/562784708.db2.gz	CTGJSFUSBYTRFF-NXUCNJKMSA-N	2	0	820.953	-3.201	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095611100	562784789	/nfs/dbraw/zinc/78/47/89/562784789.db2.gz	CTGJSFUSBYTRFF-WPMUBMLPSA-N	2	0	820.953	-3.201	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)[C@@H]([NH3+])CO)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095614799	562786874	/nfs/dbraw/zinc/78/68/74/562786874.db2.gz	XNVKSHNIGRUVOS-FRSCJGFNSA-N	2	0	763.873	-3.613	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095614817	562786879	/nfs/dbraw/zinc/78/68/79/562786879.db2.gz	SYHCWWFUOPZTDO-KEOOTSPTSA-N	3	0	753.928	-3.147	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C=O)CCC(N)=O	ZINC000096270265	562793143	/nfs/dbraw/zinc/79/31/43/562793143.db2.gz	ZGIJKMUMOQFXNZ-ATIWLJMLSA-N	2	0	545.638	-4.123	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](N)C(=O)OC[C@H]1S[C@@H](CC=O)S[C@H]1COC(=O)[C@@H](N)CCCNC(N)=[NH2+]	ZINC000096888346	562796665	/nfs/dbraw/zinc/79/66/65/562796665.db2.gz	FQNKUOJINMVKMU-LXFSFDBISA-N	2	0	520.682	-1.614	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)CCc1ccccc1)C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000096902786	562797661	/nfs/dbraw/zinc/79/76/61/562797661.db2.gz	YGQGFDPODIQQBO-ZWKOTPCHSA-N	2	0	503.608	-1.570	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)NCc1ccccc1)C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000096902787	562797665	/nfs/dbraw/zinc/79/76/65/562797665.db2.gz	ASVIQZXHBYTRED-DLBZAZTESA-N	2	0	504.596	-2.029	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902861	562797709	/nfs/dbraw/zinc/79/77/09/562797709.db2.gz	HUERDRWUVGKFGQ-LSBAASHUSA-N	2	0	648.810	-2.299	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902862	562797694	/nfs/dbraw/zinc/79/76/94/562797694.db2.gz	HOTGHWJIIPOBKQ-LSBAASHUSA-N	3	0	690.851	-2.576	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902863	562797701	/nfs/dbraw/zinc/79/77/01/562797701.db2.gz	QXWIAHYEKZCIJY-IRGGMKSGSA-N	3	0	742.858	-2.240	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902897	562797725	/nfs/dbraw/zinc/79/77/25/562797725.db2.gz	BKIHPOZBZRQLMB-LSBAASHUSA-N	2	0	759.691	-1.276	1	30		KAEFRP
[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@@H]3O[C@H](CSCCOCCS)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])C[C@@H]1O	ZINC000096910549	562800051	/nfs/dbraw/zinc/80/00/51/562800051.db2.gz	MHWSBERPVMZXTO-SBVADMICSA-N	5	0	587.762	-4.609	1	30		KAEFRP
C[NH+]=C1NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)CCCN1	ZINC000096924173	562802260	/nfs/dbraw/zinc/80/22/60/562802260.db2.gz	IAPZDEZJKBZLCA-YSLHKSLUSA-N	2	0	764.929	-1.170	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1([NH3+])C[C@@H](CO)C1)C(=O)[O-]	ZINC000101480049	562810960	/nfs/dbraw/zinc/81/09/60/562810960.db2.gz	YAUUEFYLGLTMJU-QLRNRTMNSA-N	2	0	526.639	-2.686	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000135798005	562831061	/nfs/dbraw/zinc/83/10/61/562831061.db2.gz	UTSSYMGSFWYKAC-XSLAGTTESA-N	3	0	571.728	-2.865	1	30		KAEFRP
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000137603839	562831523	/nfs/dbraw/zinc/83/15/23/562831523.db2.gz	UHTJZVKXCAEABY-QAETUUGQSA-N	2	0	543.670	-2.653	1	30		KAEFRP
CN(CC(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@H]1O)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000139443005	562832481	/nfs/dbraw/zinc/83/24/81/562832481.db2.gz	ABJUGLXDGYDGLY-AJYBTWMASA-N	2	0	538.675	-1.432	1	30		KAEFRP
CN(CC(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@H]1O)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000139443136	562832498	/nfs/dbraw/zinc/83/24/98/562832498.db2.gz	ABJUGLXDGYDGLY-PNYFIKQUSA-N	2	0	538.675	-1.432	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O	ZINC000140099550	562832919	/nfs/dbraw/zinc/83/29/19/562832919.db2.gz	HSCSARKJCAZJSX-GJYPPUQNSA-N	2	0	525.636	-2.563	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O	ZINC000140099717	562832911	/nfs/dbraw/zinc/83/29/11/562832911.db2.gz	HSCSARKJCAZJSX-BXWFABGCSA-N	2	0	525.636	-2.563	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O	ZINC000140910808	562833375	/nfs/dbraw/zinc/83/33/75/562833375.db2.gz	KHLNJYFNXGLRIR-GJYPPUQNSA-N	2	0	505.580	-1.756	1	30		KAEFRP
[NH3+]CCCC[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000160868231	562849066	/nfs/dbraw/zinc/84/90/66/562849066.db2.gz	ZWGOKDNSKZQSRL-ZFFYZDHPSA-N	4	0	662.789	-1.289	1	30		KAEFRP
[NH3+]CCCC[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O	ZINC000160868495	562849062	/nfs/dbraw/zinc/84/90/62/562849062.db2.gz	ZWGOKDNSKZQSRL-WSOYEBOPSA-N	4	0	662.789	-1.289	1	30		KAEFRP
C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3OC(/C=N/N4CCOCC4)=CC[C@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000169317175	562855909	/nfs/dbraw/zinc/85/59/09/562855909.db2.gz	PVVJGFYTMUKJEB-CKACLPFOSA-N	4	0	530.623	-3.492	1	30		KAEFRP
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@@H](O)c1nc2ccccc2s1	ZINC000169729262	562871414	/nfs/dbraw/zinc/87/14/14/562871414.db2.gz	VQZWHKIQHPBECL-PUVKRZILSA-N	3	0	648.795	-2.496	1	30		KAEFRP
C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O	ZINC000195827344	562872361	/nfs/dbraw/zinc/87/23/61/562872361.db2.gz	FAIFPAVCTHZTPJ-JTIXJMNMSA-N	2	0	743.870	-1.105	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000195832881	562872355	/nfs/dbraw/zinc/87/23/55/562872355.db2.gz	IBJHGVXJAHTFBW-GCXHJFECSA-N	2	0	743.870	-1.103	1	30		KAEFRP
C[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O	ZINC000196080798	562872489	/nfs/dbraw/zinc/87/24/89/562872489.db2.gz	FAIFPAVCTHZTPJ-CSHHCLTFSA-N	2	0	743.870	-1.105	1	30		KAEFRP
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC1=O	ZINC000197395363	562872593	/nfs/dbraw/zinc/87/25/93/562872593.db2.gz	RMLJWJUSXLSCMR-LLINQDLYSA-N	2	0	727.865	-4.267	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000220986808	562878686	/nfs/dbraw/zinc/87/86/86/562878686.db2.gz	IOJFRQGJPQUOBZ-NFGXINMFSA-N	2	0	803.707	-1.146	1	30		KAEFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000220987307	562878692	/nfs/dbraw/zinc/87/86/92/562878692.db2.gz	ZEERQGKZPWTLQI-NFGXINMFSA-N	2	0	712.256	-1.097	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727221	562879156	/nfs/dbraw/zinc/87/91/56/562879156.db2.gz	SBPBNLXPAGPURY-XWGVYQGASA-N	3	0	634.746	-1.148	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727285	562879188	/nfs/dbraw/zinc/87/91/88/562879188.db2.gz	SBPBNLXPAGPURY-NHTMILBNSA-N	3	0	634.746	-1.148	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221727327	562879184	/nfs/dbraw/zinc/87/91/84/562879184.db2.gz	SBPBNLXPAGPURY-OEMFJLHTSA-N	3	0	634.746	-1.148	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221727383	562879186	/nfs/dbraw/zinc/87/91/86/562879186.db2.gz	SBPBNLXPAGPURY-YFNKSVMNSA-N	3	0	634.746	-1.148	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727893	562879190	/nfs/dbraw/zinc/87/91/90/562879190.db2.gz	FUHMEQUNJIKJNL-VNNZRSTGSA-N	4	0	790.935	-2.610	1	30		KAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727948	562879194	/nfs/dbraw/zinc/87/91/94/562879194.db2.gz	FUHMEQUNJIKJNL-DALQOBCZSA-N	4	0	790.935	-2.610	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221728001	562879192	/nfs/dbraw/zinc/87/91/92/562879192.db2.gz	FUHMEQUNJIKJNL-WOHWVRMTSA-N	4	0	790.935	-2.610	1	30		KAEFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221728061	562879180	/nfs/dbraw/zinc/87/91/80/562879180.db2.gz	FUHMEQUNJIKJNL-NXBJLNSTSA-N	4	0	790.935	-2.610	1	30		KAEFRP
CCCCCCCCO[C@@H]1[C@@H](C)O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@H]1[NH3+]	ZINC000473097807	562897937	/nfs/dbraw/zinc/89/79/37/562897937.db2.gz	CKBUEBQRZMGSQF-DUKZXXTPSA-N	5	0	579.736	-2.913	1	30		KAEFRP
CCCCCCCCS(=O)(=O)OCC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O	ZINC000473099564	562898031	/nfs/dbraw/zinc/89/80/31/562898031.db2.gz	GGFQTCJZLNUSLA-CWOTYCJXSA-N	5	0	673.827	-4.220	1	30		KAEFRP
CCCCCCCCSCC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O	ZINC000473105421	562898218	/nfs/dbraw/zinc/89/82/18/562898218.db2.gz	SHAPHEALKUZUJG-CWOTYCJXSA-N	5	0	625.830	-2.834	1	30		KAEFRP
CCCCCCCCSC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O	ZINC000653780761	562912115	/nfs/dbraw/zinc/91/21/15/562912115.db2.gz	HVRLJYZYWHGCHO-SOJPWXDWSA-N	5	0	611.803	-3.224	1	30		KAEFRP
CCCCCCCCSC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O	ZINC000653795237	562913024	/nfs/dbraw/zinc/91/30/24/562913024.db2.gz	IYQLVPLKLKGZCF-NYPWTOTRSA-N	5	0	595.804	-2.194	1	30		KAEFRP
CCCCCCCCO[C@H]1[C@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@@H]([NH3+])C[C@@H]([NH3+])[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O	ZINC000653842806	562914958	/nfs/dbraw/zinc/91/49/58/562914958.db2.gz	ZRHRVAJPJRXQTF-AXRXHCSWSA-N	5	0	595.735	-3.940	1	30		KAEFRP
CCCCCCCCO[C@H]1[C@H]([NH3+])[C@@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]2O)O[C@@H]1CO	ZINC000653845140	562915115	/nfs/dbraw/zinc/91/51/15/562915115.db2.gz	XQZZVWNCJBQFFI-CXUJWICSSA-N	5	0	595.735	-3.940	1	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(C[C@H](C)O)nn3)CC2)n1	ZINC000008690244	561707689	/nfs/dbraw/zinc/70/76/89/561707689.db2.gz	QXYITMZUGPVRBB-NDEPHWFRSA-N	2	0	781.924	-1.948	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)n1	ZINC000008690245	561707739	/nfs/dbraw/zinc/70/77/39/561707739.db2.gz	QXYITMZUGPVRBB-MUUNZHRXSA-N	2	0	781.924	-1.948	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)O)n3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000008690249	561707707	/nfs/dbraw/zinc/70/77/07/561707707.db2.gz	HGPQUSDWKBKCLQ-RSXGOPAZSA-N	2	0	659.793	-1.053	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)O)n3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000008690251	561707749	/nfs/dbraw/zinc/70/77/49/561707749.db2.gz	XBTPOTZMGJAVGD-NSJVFKKDSA-N	2	0	811.950	-2.415	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)Cn3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000008690252	561707697	/nfs/dbraw/zinc/70/76/97/561707697.db2.gz	NMIUOIPSLPWFEO-UHFFFAOYSA-N	2	0	643.754	-2.051	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000008690253	561707761	/nfs/dbraw/zinc/70/77/61/561707761.db2.gz	GXXJADSQEHXUBV-UHFFFAOYSA-N	3	0	794.967	-1.590	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(OC)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc([C@@H]([NH3+])CO)nn3)CC2)n1	ZINC000017307477	561754954	/nfs/dbraw/zinc/75/49/54/561754954.db2.gz	OKJOIFYKKRIIIW-GMAHTHKFSA-N	2	0	619.728	-1.422	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(OC)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc([C@H]([NH3+])CO)nn3)CC2)n1	ZINC000017307480	561754928	/nfs/dbraw/zinc/75/49/28/561754928.db2.gz	OKJOIFYKKRIIIW-GGAORHGYSA-N	2	0	619.728	-1.422	3	30		KAEFRP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000095544555	562757672	/nfs/dbraw/zinc/75/76/72/562757672.db2.gz	YJJZEOIZNKDNPF-UHFFFAOYSA-N	2	0	822.981	-2.666	3	30		KAEFRP