smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
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	ZINC000004879678	561695519	/nfs/dbraw/zinc/69/55/19/561695519.db2.gz	DIRJDIBCAHCCFL-GKMGGEPCSA-N	1	0	626.671	-1.591	1	30	in-man	KAEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O	ZINC000013523827	561717207	/nfs/dbraw/zinc/71/72/07/561717207.db2.gz	GJSNWYCXGVOCMN-JYJNAYRXSA-N	1	0	504.548	-3.162	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O	ZINC000013523835	561717205	/nfs/dbraw/zinc/71/72/05/561717205.db2.gz	GJSNWYCXGVOCMN-OAGGEKHMSA-N	1	0	504.548	-3.162	1	30		KAEFRO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C(=O)[O-])[C@H](C)O	ZINC000026175881	561770842	/nfs/dbraw/zinc/77/08/42/561770842.db2.gz	IOJNJBMIKCMCSZ-UTJYPEIASA-N	1	0	662.789	-1.385	1	30		KAEFRO
CC(C)C[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](C)O)N(C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]	ZINC000026182879	561772070	/nfs/dbraw/zinc/77/20/70/561772070.db2.gz	WSQWLXXHWTYRMQ-UTJYPEIASA-N	1	0	662.789	-1.385	1	30		KAEFRO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000026188103	561772965	/nfs/dbraw/zinc/77/29/65/561772965.db2.gz	KKUPPLMEDQDAJX-SPGNEWTCSA-N	1	0	648.762	-1.728	1	30		KAEFRO
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000026188108	561772969	/nfs/dbraw/zinc/77/29/69/561772969.db2.gz	URMUKGRBZYITIR-UTJYPEIASA-N	1	0	662.789	-1.385	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](C)C(N)=O	ZINC000026247051	561773446	/nfs/dbraw/zinc/77/34/46/561773446.db2.gz	OXTLYOPQMYRGBX-VDWMVFLBSA-N	1	0	641.840	-1.268	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(N)=O	ZINC000026247086	561773480	/nfs/dbraw/zinc/77/34/80/561773480.db2.gz	MMNCBZNRPNTWDM-PPIWZOICSA-N	1	0	728.918	-2.790	1	30		KAEFRO
CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026386525	561784531	/nfs/dbraw/zinc/78/45/31/561784531.db2.gz	KIRCWUMMOSYFRV-RPWUZVMVSA-N	1	0	675.765	-1.332	1	30		KAEFRO
CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026393445	561786265	/nfs/dbraw/zinc/78/62/65/561786265.db2.gz	DEJIGJUTJUIFLI-RPWUZVMVSA-N	1	0	659.766	-1.038	1	30		KAEFRO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026401565	561788466	/nfs/dbraw/zinc/78/84/66/561788466.db2.gz	QPAVTARWLILJKC-YLGVKUCZSA-N	1	0	725.852	-1.969	1	30		KAEFRO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026403966	561789152	/nfs/dbraw/zinc/78/91/52/561789152.db2.gz	XGDIKKRUWYHBIA-FOMOFUEUSA-N	1	0	739.879	-1.581	1	30		KAEFRO
CC(C)[C@H](CC(=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-]	ZINC000026404608	561789726	/nfs/dbraw/zinc/78/97/26/561789726.db2.gz	LWTXVJHXSGIULT-LSBAASHUSA-N	1	0	678.788	-1.310	1	30		KAEFRO
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)C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026474740	561790937	/nfs/dbraw/zinc/79/09/37/561790937.db2.gz	USOHWZFCJKDKGT-SQSAXNKISA-N	1	0	662.789	-1.016	1	30		KAEFRO
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)[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000026477413	561791325	/nfs/dbraw/zinc/79/13/25/561791325.db2.gz	AMQMEKUSMSAJDG-JYAZKYGWSA-N	1	0	686.812	-2.643	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000026480659	561791652	/nfs/dbraw/zinc/79/16/52/561791652.db2.gz	INHNPIMXRNXGCV-GVLREEQHSA-N	1	0	746.867	-2.900	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@H](C)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000026480665	561791631	/nfs/dbraw/zinc/79/16/31/561791631.db2.gz	INHNPIMXRNXGCV-WEDYCYMYSA-N	1	0	746.867	-2.900	1	30		KAEFRO
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O	ZINC000026481321	561791793	/nfs/dbraw/zinc/79/17/93/561791793.db2.gz	NZQDJXSJXCVXAN-FCZNNESMSA-N	1	0	633.772	-2.191	1	30		KAEFRO
CC(C)[C@H](CC(=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-]	ZINC000026481388	561791797	/nfs/dbraw/zinc/79/17/97/561791797.db2.gz	LWTXVJHXSGIULT-LKTXNROYSA-N	1	0	678.788	-1.310	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=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-]	ZINC000026483826	561792158	/nfs/dbraw/zinc/79/21/58/561792158.db2.gz	VIEIJOBIEIRJDP-QXMOZHRRSA-N	1	0	732.840	-3.461	1	30		KAEFRO
C[C@H](CC(=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](Cc1ccccc1)C(=O)[O-]	ZINC000026484274	561792246	/nfs/dbraw/zinc/79/22/46/561792246.db2.gz	BBMONCZZNNQBMN-AMGKQAFBSA-N	1	0	634.735	-1.652	1	30		KAEFRO
CC(C)[C@H](CC(=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](Cc1ccccc1)C(=O)[O-]	ZINC000026484280	561792225	/nfs/dbraw/zinc/79/22/25/561792225.db2.gz	ZAGYVSGPIRPRAM-LSBAASHUSA-N	1	0	662.789	-1.016	1	30		KAEFRO
CC(C)C[C@H](NC(=O)C(C)(C)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-]	ZINC000026484561	561792290	/nfs/dbraw/zinc/79/22/90/561792290.db2.gz	UOWVWFAHGNSJOW-VUBDRERZSA-N	1	0	720.829	-3.558	1	30		KAEFRO
CC(C)[C@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000026484917	561792282	/nfs/dbraw/zinc/79/22/82/561792282.db2.gz	LWONOFFADRYPIW-SPHOGXRMSA-N	1	0	630.747	-1.238	1	30		KAEFRO
C[NH2+][C@@H](Cc1ccccc1)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(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000026487492	561792653	/nfs/dbraw/zinc/79/26/53/561792653.db2.gz	QTQNTLXATRNSLD-KEOOTSPTSA-N	1	0	675.832	-1.138	1	30		KAEFRO
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000026488962	561792914	/nfs/dbraw/zinc/79/29/14/561792914.db2.gz	QNUZTOASGLIKTE-QORCZRPOSA-N	1	0	661.805	-1.382	1	30		KAEFRO
CC(C)C[C@H](NC(=O)CNC(=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-]	ZINC000026490299	561793144	/nfs/dbraw/zinc/79/31/44/561793144.db2.gz	RUPVYUDSMZJLGB-YFNVTMOMSA-N	1	0	692.775	-4.336	1	30		KAEFRO
CS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026579469	561804723	/nfs/dbraw/zinc/80/47/23/561804723.db2.gz	IGSPGKUFVFMXQE-LJWNLINESA-N	1	0	721.845	-1.170	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000026657333	561809625	/nfs/dbraw/zinc/80/96/25/561809625.db2.gz	JQRCNIGDQPXZHE-LROMGURASA-N	1	0	652.753	-1.625	1	30		KAEFRO
NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000026818423	561820676	/nfs/dbraw/zinc/82/06/76/561820676.db2.gz	SRDLINCJTYFHGZ-BURNTYAHSA-N	1	0	635.725	-1.672	1	30		KAEFRO
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CCCN2C1=O	ZINC000026822354	561821385	/nfs/dbraw/zinc/82/13/85/561821385.db2.gz	NEACASTUCCUBTA-ALBNKXJUSA-N	1	0	630.747	-1.641	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026824334	561821765	/nfs/dbraw/zinc/82/17/65/561821765.db2.gz	POSGXQYVXRDBTO-OBAATPRFSA-N	1	0	609.692	-1.806	1	30		KAEFRO
CC(C)C[C@@H](NC(=O)[C@@](C)(Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000026827437	561822258	/nfs/dbraw/zinc/82/22/58/561822258.db2.gz	IQWXZERGMHWTDQ-COHKBGGASA-N	1	0	662.789	-1.337	1	30		KAEFRO
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(N)=O	ZINC000026831083	561822953	/nfs/dbraw/zinc/82/29/53/561822953.db2.gz	XAWXSQISJXUZIM-MUGJNUQGSA-N	1	0	546.629	-2.774	1	30		KAEFRO
CC(=O)N[C@@H](CO)C(=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(N)=O)C(C)C	ZINC000026833214	561823424	/nfs/dbraw/zinc/82/34/24/561823424.db2.gz	YGIQYWFHBNWFHM-FRSCJGFNSA-N	1	0	732.840	-4.157	1	30		KAEFRO
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000026833487	561823405	/nfs/dbraw/zinc/82/34/05/561823405.db2.gz	QBTJJPSPQDWDKK-TUFLPTIASA-N	1	0	690.763	-4.628	1	30		KAEFRO
CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000026833844	561823527	/nfs/dbraw/zinc/82/35/27/561823527.db2.gz	AXGKGVPTHDXLPD-MUGJNUQGSA-N	1	0	546.629	-2.774	1	30		KAEFRO
CC(=O)N[C@@H](CO)C(=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(N)=O	ZINC000026833903	561823531	/nfs/dbraw/zinc/82/35/31/561823531.db2.gz	MZNNHWHLAUCULO-YFNVTMOMSA-N	1	0	633.707	-4.297	1	30		KAEFRO
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(N)=O)C(C)C	ZINC000026834209	561823735	/nfs/dbraw/zinc/82/37/35/561823735.db2.gz	RORHPEIEQZFKGK-LSBAASHUSA-N	1	0	645.762	-2.634	1	30		KAEFRO
CC(=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	ZINC000026834212	561823715	/nfs/dbraw/zinc/82/37/15/561823715.db2.gz	DXABQJRMDPXFMC-YGQNSOCVSA-N	1	0	676.776	-3.874	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O	ZINC000026834402	561823841	/nfs/dbraw/zinc/82/38/41/561823841.db2.gz	GJSNWYCXGVOCMN-XHSDSOJGSA-N	1	0	504.548	-3.162	1	30		KAEFRO
CC(=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(N)=O)C(C)C	ZINC000026834880	561823980	/nfs/dbraw/zinc/82/39/80/561823980.db2.gz	FZNDNGDITYPGLU-MUGJNUQGSA-N	1	0	548.645	-2.625	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026837159	561824800	/nfs/dbraw/zinc/82/48/00/561824800.db2.gz	ZACRQOAPRSMDDR-CQJMVLFOSA-N	1	0	675.755	-1.860	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026838410	561825012	/nfs/dbraw/zinc/82/50/12/561825012.db2.gz	JNZPDTSWERXJKG-LJWNLINESA-N	1	0	686.778	-1.188	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026838414	561825047	/nfs/dbraw/zinc/82/50/47/561825047.db2.gz	AWPSZBFASWADLU-LJWNLINESA-N	1	0	686.778	-1.188	1	30		KAEFRO
CC(=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	ZINC000026840387	561825601	/nfs/dbraw/zinc/82/56/01/561825601.db2.gz	FVFQLPZSQIZAFV-YXWQFLTLSA-N	1	0	529.599	-4.602	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000026967651	561830083	/nfs/dbraw/zinc/83/00/83/561830083.db2.gz	CBSZMNITQVTRFW-TUFLPTIASA-N	1	0	617.664	-1.814	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)[O-]	ZINC000026967661	561830080	/nfs/dbraw/zinc/83/00/80/561830080.db2.gz	VTUFEALIWMBUMD-TUFLPTIASA-N	1	0	587.682	-2.140	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000026991791	561832593	/nfs/dbraw/zinc/83/25/93/561832593.db2.gz	QZLBJOFEQCESMH-ULQDDVLXSA-N	1	0	520.547	-1.805	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	ZINC000027085524	561836177	/nfs/dbraw/zinc/83/61/77/561836177.db2.gz	ZMSGYVHIKPXOTB-CLLDFNAGSA-N	1	0	714.740	-1.110	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1	ZINC000027085940	561836338	/nfs/dbraw/zinc/83/63/38/561836338.db2.gz	ZMSGYVHIKPXOTB-UVWWXKGLSA-N	1	0	714.740	-1.110	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=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	ZINC000027085959	561836365	/nfs/dbraw/zinc/83/63/65/561836365.db2.gz	BHTVDBOYJUPAKN-VIICAESSSA-N	1	0	713.756	-1.234	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=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	ZINC000027086465	561836393	/nfs/dbraw/zinc/83/63/93/561836393.db2.gz	BHTVDBOYJUPAKN-SYVJQLTCSA-N	1	0	713.756	-1.234	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@H](Cc2cccnc2)C(=O)N1	ZINC000027091766	561837222	/nfs/dbraw/zinc/83/72/22/561837222.db2.gz	KEFFBYNUYCKYFQ-QFZWGZQFSA-N	1	0	699.729	-1.421	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2cccnc2)C(=O)N1	ZINC000027092389	561837428	/nfs/dbraw/zinc/83/74/28/561837428.db2.gz	KEFFBYNUYCKYFQ-HOKHCIIBSA-N	1	0	699.729	-1.421	1	30		KAEFRO
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](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027103829	561839503	/nfs/dbraw/zinc/83/95/03/561839503.db2.gz	MAKGSCDBNBSBOG-UYLCUJDWSA-N	1	0	662.771	-4.551	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027332052	561855261	/nfs/dbraw/zinc/85/52/61/561855261.db2.gz	XVRFUJXKLDDPSB-LSBAASHUSA-N	1	0	661.805	-1.399	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000027426932	561858512	/nfs/dbraw/zinc/85/85/12/561858512.db2.gz	MZOFCQQQCNRIBI-VMXHOPILSA-N	1	0	674.757	-4.851	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)[NH3+])[C@@H](C)O)C(=O)[O-]	ZINC000027523302	561864969	/nfs/dbraw/zinc/86/49/69/561864969.db2.gz	VURJTOMMDOSQHD-PHFHYRSDSA-N	1	0	661.783	-4.472	1	30		KAEFRO
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cccc(O)c1)NC(N)=[NH2+]	ZINC000027559480	561870321	/nfs/dbraw/zinc/87/03/21/561870321.db2.gz	MLFLNTUOZJKDGS-ZMVGRULKSA-N	1	0	611.704	-1.226	1	30		KAEFRO
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cccc(O)c1)NC(N)=[NH2+])C(=O)[O-]	ZINC000027561425	561870717	/nfs/dbraw/zinc/87/07/17/561870717.db2.gz	DVUKUEIZDQXDFH-KPQYALRZSA-N	1	0	597.677	-1.568	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000027636745	561874597	/nfs/dbraw/zinc/87/45/97/561874597.db2.gz	LIEAUBZBWVCSAC-XUJYPJAKSA-N	1	0	646.753	-1.064	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccncc1)C(N)=O	ZINC000027647139	561875922	/nfs/dbraw/zinc/87/59/22/561875922.db2.gz	GVMPDJLBXVWWIQ-QYOOZWMWSA-N	1	0	647.741	-1.669	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027648243	561876232	/nfs/dbraw/zinc/87/62/32/561876232.db2.gz	LIEAUBZBWVCSAC-FWEHEUNISA-N	1	0	646.753	-1.064	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1cccs1)C(N)=O	ZINC000027651510	561876635	/nfs/dbraw/zinc/87/66/35/561876635.db2.gz	GPEVQQNWXZZSBB-NDBXHCKUSA-N	1	0	652.782	-1.003	1	30		KAEFRO
CC(C)[C@H](NC(=S)[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-]	ZINC000027711556	561879772	/nfs/dbraw/zinc/87/97/72/561879772.db2.gz	WQTBGBZPZVUZLF-YGQNSOCVSA-N	1	0	695.844	-1.600	1	30		KAEFRO
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(=S)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027711662	561879769	/nfs/dbraw/zinc/87/97/69/561879769.db2.gz	QTGYDDPHIYRBEZ-YGQNSOCVSA-N	1	0	695.844	-1.600	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=S)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027715634	561880184	/nfs/dbraw/zinc/88/01/84/561880184.db2.gz	VAYCKEFMKBYRCQ-YGQNSOCVSA-N	1	0	695.844	-1.600	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=S)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027715640	561880168	/nfs/dbraw/zinc/88/01/68/561880168.db2.gz	SNDQPOJHYWAHGO-YGQNSOCVSA-N	1	0	695.844	-1.600	1	30		KAEFRO
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027763749	561884353	/nfs/dbraw/zinc/88/43/53/561884353.db2.gz	CIEVIBHIVGICNN-KRWDZBQOSA-N	1	0	599.717	-1.199	1	30		KAEFRO
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027763757	561884384	/nfs/dbraw/zinc/88/43/84/561884384.db2.gz	CIEVIBHIVGICNN-QGZVFWFLSA-N	1	0	599.717	-1.199	1	30		KAEFRO
Cc1c[n+](C)n(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028013072	561896681	/nfs/dbraw/zinc/89/66/81/561896681.db2.gz	AMBKCWJWRSLIIL-AAEUAGOBSA-O	1	0	507.981	-1.941	1	30		KAEFRO
Cc1c[n+](C)n(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028013077	561896709	/nfs/dbraw/zinc/89/67/09/561896709.db2.gz	AMBKCWJWRSLIIL-YPMHNXCESA-O	1	0	507.981	-1.941	1	30		KAEFRO
CC(C)[C@H]1NC(=O)c2cc(cc(NC(=O)CCCCC[NH3+])c2)CNC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])N(C)C1=O	ZINC000028092207	561900104	/nfs/dbraw/zinc/90/01/04/561900104.db2.gz	JVBMRJFKTRWIIF-VMODYCNZSA-N	1	0	702.814	-1.515	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O	ZINC000028475459	561927911	/nfs/dbraw/zinc/92/79/11/561927911.db2.gz	NAWXGQPEDXCNJF-ZVBOOHQUSA-N	1	0	701.785	-1.281	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000028769393	561960869	/nfs/dbraw/zinc/96/08/69/561960869.db2.gz	CTMPIJMVLFLLJR-ZKHIMWLXSA-N	1	0	611.745	-2.265	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000028769550	561960906	/nfs/dbraw/zinc/96/09/06/561960906.db2.gz	DIXFHERGFJBDDD-JLCRNFDHSA-N	1	0	611.745	-2.265	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000028769707	561960856	/nfs/dbraw/zinc/96/08/56/561960856.db2.gz	YBHWHXQZQFRAOK-LLDVTBCESA-N	1	0	571.636	-4.788	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000028769756	561960989	/nfs/dbraw/zinc/96/09/89/561960989.db2.gz	XFQCMFXABUFXGK-HVYFOGIKSA-N	1	0	625.772	-1.874	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000028769974	561961021	/nfs/dbraw/zinc/96/10/21/561961021.db2.gz	POUWHUZOJYJHKP-BLQWBTBKSA-N	1	0	627.788	-1.725	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000028770574	561961268	/nfs/dbraw/zinc/96/12/68/561961268.db2.gz	CDGDLSBVQHUZOI-CGRIZKAYSA-N	1	0	653.826	-1.238	1	30		KAEFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)NCC(=O)[O-]	ZINC000028770813	561961246	/nfs/dbraw/zinc/96/12/46/561961246.db2.gz	NEDOEATXYFQUJT-JWPKLBNJSA-N	1	0	611.745	-2.263	1	30		KAEFRO
CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000028770815	561961258	/nfs/dbraw/zinc/96/12/58/561961258.db2.gz	USNFYDIYHNPJBM-QZWWFDLISA-N	1	0	585.663	-4.317	1	30		KAEFRO
C[C@H](NC(=O)c1nc(N)n[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029218536	562006860	/nfs/dbraw/zinc/00/68/60/562006860.db2.gz	BUCKWRREYIOIOM-UBHSHLNASA-N	1	0	501.552	-2.744	1	30		KAEFRO
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(N)n[nH]1)C(N)=O	ZINC000029219952	562007100	/nfs/dbraw/zinc/00/71/00/562007100.db2.gz	SXENINZVUGSXEI-UBHSHLNASA-N	1	0	507.600	-2.016	1	30		KAEFRO
COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S@@](C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000029330462	562013855	/nfs/dbraw/zinc/01/38/55/562013855.db2.gz	RRKLITDRRHHDOM-ZOTJWUQDSA-N	1	0	588.687	-1.153	1	30		KAEFRO
COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S@](C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000029330471	562013836	/nfs/dbraw/zinc/01/38/36/562013836.db2.gz	RRKLITDRRHHDOM-IKJAUIJQSA-N	1	0	588.687	-1.153	1	30		KAEFRO
C[S@@](=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC000029333250	562014103	/nfs/dbraw/zinc/01/41/03/562014103.db2.gz	NSYBRHSOFZCYKH-WVJKGBGOSA-N	1	0	573.676	-1.841	1	30		KAEFRO
C[S@](=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC000029333255	562014162	/nfs/dbraw/zinc/01/41/62/562014162.db2.gz	NSYBRHSOFZCYKH-SCMQCXLQSA-N	1	0	573.676	-1.841	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)O[C@H](C(=O)[O-])[C@@H](C)O	ZINC000029388767	562016899	/nfs/dbraw/zinc/01/68/99/562016899.db2.gz	JONBHXQLHGLATM-UEHMALFGSA-N	1	0	649.746	-1.301	1	30		KAEFRO
CC(C)C[C@H](OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000029391600	562017546	/nfs/dbraw/zinc/01/75/46/562017546.db2.gz	RNUOOQBPRDUMNU-UEHMALFGSA-N	1	0	649.746	-1.301	1	30		KAEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000029391652	562017529	/nfs/dbraw/zinc/01/75/29/562017529.db2.gz	BBGOBIHEYSBBEM-ONTIZHBOSA-N	1	0	631.760	-1.167	1	30		KAEFRO
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(N)=O)N2C1=O	ZINC000029489023	562029134	/nfs/dbraw/zinc/02/91/34/562029134.db2.gz	MMLBWVFGQOTFET-RMLCQDLPSA-N	1	0	719.889	-1.553	1	30		KAEFRO
CCC[C@H](C)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)[C@@H](C)CC	ZINC000029570525	562035641	/nfs/dbraw/zinc/03/56/41/562035641.db2.gz	KEJZDCMBBMEBSN-QJTPPLBGSA-N	1	0	683.856	-1.874	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CS)[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000043531929	562649217	/nfs/dbraw/zinc/64/92/17/562649217.db2.gz	HLIFUUVAYRIKEL-SFOIOBPVSA-N	1	0	624.765	-2.400	1	30		KAEFRO
C[C@H](CC(=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](Cc1ccccc1)C(=O)[O-]	ZINC000043815458	562650898	/nfs/dbraw/zinc/65/08/98/562650898.db2.gz	BBMONCZZNNQBMN-YYDGMXKLSA-N	1	0	634.735	-1.652	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000049672571	562668328	/nfs/dbraw/zinc/66/83/28/562668328.db2.gz	QZHXHKOEPPSIQJ-LENLALOCSA-N	1	0	707.830	-1.798	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049695182	562670276	/nfs/dbraw/zinc/67/02/76/562670276.db2.gz	AVMAZQCOCYIMPF-LSBAASHUSA-N	1	0	638.719	-2.429	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC[S@](C)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049708551	562670958	/nfs/dbraw/zinc/67/09/58/562670958.db2.gz	UIYNVVGTTDDMKF-HFOQQMFGSA-N	1	0	698.840	-1.652	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC[S@@](C)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049708553	562670952	/nfs/dbraw/zinc/67/09/52/562670952.db2.gz	UIYNVVGTTDDMKF-BRHKJCGLSA-N	1	0	698.840	-1.652	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709024	562671174	/nfs/dbraw/zinc/67/11/74/562671174.db2.gz	WEDPWLJTYAGAHN-KEOOTSPTSA-N	1	0	679.772	-2.155	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709067	562671210	/nfs/dbraw/zinc/67/12/10/562671210.db2.gz	CRPOUQFDPJKSGG-MLCQCVOFSA-N	1	0	608.693	-1.789	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CCO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709436	562671329	/nfs/dbraw/zinc/67/13/29/562671329.db2.gz	GZPVFHGECDXTSN-KEOOTSPTSA-N	1	0	652.746	-2.038	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709783	562671429	/nfs/dbraw/zinc/67/14/29/562671429.db2.gz	UXYLBEGTVJJYSN-LSBAASHUSA-N	1	0	665.745	-2.545	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709960	562671476	/nfs/dbraw/zinc/67/14/76/562671476.db2.gz	VSIWRHTUMVMJTL-DUSBTPNUSA-N	1	0	622.720	-1.401	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709966	562671450	/nfs/dbraw/zinc/67/14/50/562671450.db2.gz	QNPQSPPSEIMSIG-LROMGURASA-N	1	0	688.783	-1.455	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H](C)O	ZINC000049709974	562671503	/nfs/dbraw/zinc/67/15/03/562671503.db2.gz	PSYPBNCQLKHGEM-GFGQVAFXSA-N	1	0	652.746	-2.040	1	30		KAEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049723164	562673011	/nfs/dbraw/zinc/67/30/11/562673011.db2.gz	SBTXTJJBPQVZJG-GTGWECHQSA-N	1	0	664.757	-1.944	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H](C)CC)C(=O)NCC(=O)[O-]	ZINC000049759898	562676109	/nfs/dbraw/zinc/67/61/09/562676109.db2.gz	MOEJYNXMIDXERZ-BOPJXXHASA-N	1	0	728.853	-3.872	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)O)C(=O)[O-]	ZINC000049776280	562679327	/nfs/dbraw/zinc/67/93/27/562679327.db2.gz	ZMFYLJJBBPJPBT-MAWUUKHOSA-N	1	0	624.744	-2.560	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000049776291	562679313	/nfs/dbraw/zinc/67/93/13/562679313.db2.gz	KMHPQCGAXNQZSY-YSXBZUGOSA-N	1	0	672.788	-1.974	1	30		KAEFRO
[NH3+]CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000049780023	562681279	/nfs/dbraw/zinc/68/12/79/562681279.db2.gz	RAWJSHDBLAKMLA-VUBDRERZSA-N	1	0	662.770	-1.530	1	30		KAEFRO
CCCCCCCCc1ccc(NC(=O)[C@@H](N)[C@H](O[C@@H]2O[C@H](C[NH3+])[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1	ZINC000049783658	562683157	/nfs/dbraw/zinc/68/31/57/562683157.db2.gz	QIKVDYXSRXGRKP-KQKUDYAKSA-N	1	0	635.715	-1.185	1	30		KAEFRO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000049802739	562685926	/nfs/dbraw/zinc/68/59/26/562685926.db2.gz	ZLZRDOYPMBFQHX-WGRAONGBSA-N	1	0	660.714	-1.089	1	30		KAEFRO
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H]([NH3+])CCC(=O)[O-])ccc12	ZINC000049832781	562687240	/nfs/dbraw/zinc/68/72/40/562687240.db2.gz	XIQQZZQEWAUSIY-HZPDHXFCSA-N	1	0	517.543	-1.113	1	30		KAEFRO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H]([NH3+])CCC(=O)[O-])ccc12	ZINC000049832783	562687264	/nfs/dbraw/zinc/68/72/64/562687264.db2.gz	XIQQZZQEWAUSIY-CVEARBPZSA-N	1	0	517.543	-1.113	1	30		KAEFRO
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])ccc12	ZINC000049832784	562687260	/nfs/dbraw/zinc/68/72/60/562687260.db2.gz	XIQQZZQEWAUSIY-JKSUJKDBSA-N	1	0	517.543	-1.113	1	30		KAEFRO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]([NH3+])CCC(=O)[O-])ccc12	ZINC000049832785	562687248	/nfs/dbraw/zinc/68/72/48/562687248.db2.gz	XIQQZZQEWAUSIY-HOTGVXAUSA-N	1	0	517.543	-1.113	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000049881787	562691154	/nfs/dbraw/zinc/69/11/54/562691154.db2.gz	RWDHBZYQKRQUGI-DNCCFGNJSA-N	1	0	560.722	-1.746	1	30		KAEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]	ZINC000049926496	562694699	/nfs/dbraw/zinc/69/46/99/562694699.db2.gz	QJJYDEMCVRHIMY-LJDSDSDDSA-N	1	0	712.787	-6.219	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])[C@@H](C)O	ZINC000049938399	562695261	/nfs/dbraw/zinc/69/52/61/562695261.db2.gz	JNCPRGJTKGUMSI-UEHMALFGSA-N	1	0	658.761	-2.364	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000049938420	562695303	/nfs/dbraw/zinc/69/53/03/562695303.db2.gz	DPOUJFDXAWRXAY-WMBWNXPESA-N	1	0	622.724	-2.949	1	30		KAEFRO
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)C[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000058614279	562701013	/nfs/dbraw/zinc/70/10/13/562701013.db2.gz	USOHWZFCJKDKGT-KQWWLPFYSA-N	1	0	662.789	-1.016	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC#N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000066112770	562712100	/nfs/dbraw/zinc/71/21/00/562712100.db2.gz	ACASKLJBXLBNKK-TVJXPIDLSA-N	1	0	636.799	-1.158	1	30		KAEFRO
CCCCCCCCCCCC[NH2+][C@H](C(=O)[O-])[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	ZINC000072134092	562727214	/nfs/dbraw/zinc/72/72/14/562727214.db2.gz	GVTGDBTYJPVPID-AVJIWAAKSA-N	1	0	616.709	-1.090	1	30		KAEFRO
C[C@@H]1NC(=O)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC1=O	ZINC000084635264	562746140	/nfs/dbraw/zinc/74/61/40/562746140.db2.gz	SYAGZQGLKGUODK-NNWWCHFSSA-N	1	0	709.849	-1.470	1	30		KAEFRO
C[C@@H]1NC(=O)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC1=O	ZINC000084635267	562746131	/nfs/dbraw/zinc/74/61/31/562746131.db2.gz	SYAGZQGLKGUODK-SLXKTOJASA-N	1	0	709.849	-1.470	1	30		KAEFRO
C[C@@H]1NC(=O)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC1=O	ZINC000084635269	562746144	/nfs/dbraw/zinc/74/61/44/562746144.db2.gz	SYAGZQGLKGUODK-JUEMVLCGSA-N	1	0	709.849	-1.470	1	30		KAEFRO
C[C@@H]1NC(=O)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC1=O	ZINC000084635271	562746159	/nfs/dbraw/zinc/74/61/59/562746159.db2.gz	SYAGZQGLKGUODK-UIQLBQFBSA-N	1	0	709.849	-1.470	1	30		KAEFRO
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(C)C	ZINC000085493258	565128373	/nfs/dbraw/zinc/12/83/73/565128373.db2.gz	BFOKYBDDBAVCQQ-CMERTDNNSA-O	1	0	695.743	-1.323	1	30	biogenic,in-vitro	KAEFRO
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]1OCC	ZINC000085493278	565128396	/nfs/dbraw/zinc/12/83/96/565128396.db2.gz	HPANPUWZJKSRFZ-MLSYAYSJSA-O	1	0	681.716	-1.712	1	30	biogenic,in-vitro	KAEFRO
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(C)C	ZINC000085493282	291605994	/nfs/dbraw/zinc/60/59/94/291605994.db2.gz	YURZVPRLGJZUDP-VYHDUCORSA-O	1	0	667.689	-1.756	1	30	biogenic,in-vitro	KAEFRO
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]1OCC	ZINC000085493294	565128339	/nfs/dbraw/zinc/12/83/39/565128339.db2.gz	FVOREXBLZFKACW-KZPNUNBKSA-O	1	0	653.662	-2.144	1	30	biogenic,in-vitro	KAEFRO
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(C)C	ZINC000085493338	565128319	/nfs/dbraw/zinc/12/83/19/565128319.db2.gz	MSSLXEMVMSMJGF-RNUULECXSA-O	1	0	651.690	-1.076	1	30	biogenic,in-vitro	KAEFRO
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]1OCC	ZINC000085493347	291607301	/nfs/dbraw/zinc/60/73/01/291607301.db2.gz	NWRITWKMEYMIEQ-VLPGSAGRSA-O	1	0	637.663	-1.464	1	30	biogenic,in-vitro	KAEFRO
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]1O	ZINC000085493361	565128310	/nfs/dbraw/zinc/12/83/10/565128310.db2.gz	DZDAFCMFKWAXIA-AENIRBIISA-O	1	0	609.609	-2.509	1	30	biogenic,in-vitro	KAEFRO
C=C[C@@H]1[C@H](C=Cc2c[n+](CCO)cc(C(=O)[O-])c2NC(=[NH2+])NC)C(C(=O)OC2CCCC2)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085493371	565128305	/nfs/dbraw/zinc/12/83/05/565128305.db2.gz	DFHJQTXRZKZRCZ-GWHKUXCWSA-O	1	0	663.701	-1.196	1	30	biogenic,in-vitro	KAEFRO
C=C[C@@H]1[C@H](/C=C/c2cc(C(=O)[O-])c[n+](CCO)c2)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	ZINC000085493456	560074860	/nfs/dbraw/zinc/07/48/60/560074860.db2.gz	QLHYLBAAEMROLZ-FQYWCLSDSA-O	1	0	597.594	-2.153	1	30	biogenic,in-vitro	KAEFRO
C=C[C@@H]1[C@H](/C=C/c2cc(C(=O)[O-])c[n+](CCO)c2)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	ZINC000085493517	291607840	/nfs/dbraw/zinc/60/78/40/291607840.db2.gz	LIKAYYWHMPLBDN-YKIVHQFOSA-O	1	0	581.595	-1.473	1	30	biogenic,in-vitro	KAEFRO
NC(=[NH2+])N[C@@H]1CCOC[C@@H]2O[C@H](Oc3c1cc1c(c3OCCO)C(=O)c3ccccc3C1=O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000085593129	560065361	/nfs/dbraw/zinc/06/53/61/560065361.db2.gz	WSNYCCUPFQZOAQ-ZHUXKEJTSA-N	1	0	543.529	-1.246	1	30	biogenic,in-vitro	KAEFRO
NC(=[NH2+])N[C@H]1CCOC[C@@H]2O[C@H](Oc3c(O)c4c(cc31)C(=O)c1ccc(CO)cc1C4=O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000085593132	560065428	/nfs/dbraw/zinc/06/54/28/560065428.db2.gz	NJIKSZHYLRKCTE-OEZKMYJOSA-N	1	0	529.502	-1.419	1	30	biogenic,in-vitro	KAEFRO
NC(=[NH2+])NCc1cc2c(c(OCCO)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593141	560065436	/nfs/dbraw/zinc/06/54/36/560065436.db2.gz	YKTSRQSCTCKYIB-ACNSSQCRSA-N	1	0	517.491	-2.215	1	30	biogenic,in-vitro	KAEFRO
CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=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)C(=O)[O-]	ZINC000095538189	562754546	/nfs/dbraw/zinc/75/45/46/562754546.db2.gz	MFAPEKVFQWZGND-SNHWRDITSA-N	1	0	773.878	-1.132	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000095539622	562755210	/nfs/dbraw/zinc/75/52/10/562755210.db2.gz	UAAUJABPJJNKFZ-QHBMNQIBSA-N	1	0	793.023	-2.608	1	30		KAEFRO
C[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095539636	562755201	/nfs/dbraw/zinc/75/52/01/562755201.db2.gz	CNDGMOLQAWUMCP-CDQXLJITSA-N	1	0	777.888	-2.261	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000095540194	562755558	/nfs/dbraw/zinc/75/55/58/562755558.db2.gz	LBGGRQFOPJSBJF-IXGPFBAISA-N	1	0	793.023	-2.766	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=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-]	ZINC000095540288	562755645	/nfs/dbraw/zinc/75/56/45/562755645.db2.gz	AXKHTOBTMJKWRX-WPMUBMLPSA-N	1	0	794.911	-2.499	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](S)Cc1ccccc1)[C@@H](C)O)C(=O)[O-]	ZINC000095540551	562755808	/nfs/dbraw/zinc/75/58/08/562755808.db2.gz	BUTFFNLIEYXPRA-KUYDZDNESA-N	1	0	769.992	-1.418	1	30		KAEFRO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095540627	562755847	/nfs/dbraw/zinc/75/58/47/562755847.db2.gz	VTJYMSRSRUKIRW-CWPIJUQSSA-N	1	0	796.931	-2.335	1	30		KAEFRO
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1NC(=O)[C@H]([C@H](O[C@@H]2O[C@H](C[NH3+])[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)NC1=O	ZINC000095540632	562755869	/nfs/dbraw/zinc/75/58/69/562755869.db2.gz	VGXINNLGSXHIDT-OCTFJCCRSA-N	1	0	755.863	-1.046	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000095540738	562755945	/nfs/dbraw/zinc/75/59/45/562755945.db2.gz	CQOSVGGAFIKEHV-LROMGURASA-N	1	0	804.907	-5.390	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3cc4[nH]c(=O)c(=O)[nH]c4cc3[N+](=O)[O-])cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095541976	562756458	/nfs/dbraw/zinc/75/64/58/562756458.db2.gz	BPWCYNXVLCRQLX-SWHJIRTISA-N	1	0	758.753	-1.326	1	30		KAEFRO
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(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095542055	562756475	/nfs/dbraw/zinc/75/64/75/562756475.db2.gz	BCHVKUVQDQXVEK-QCOJBMJGSA-N	1	0	762.910	-2.579	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CCCNC(=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	ZINC000095542880	562756911	/nfs/dbraw/zinc/75/69/11/562756911.db2.gz	KMJWERALCSYJIS-JDBUMTGOSA-N	1	0	798.862	-1.337	1	30		KAEFRO
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000095542888	562756892	/nfs/dbraw/zinc/75/68/92/562756892.db2.gz	YFIGAXMKNSOTJL-XHGYJTEYSA-N	1	0	778.913	-3.436	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095543951	562757552	/nfs/dbraw/zinc/75/75/52/562757552.db2.gz	STFBDUBSJWHKET-QCOJBMJGSA-N	1	0	760.894	-2.696	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NC1(C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCCCCC1	ZINC000095545725	562758220	/nfs/dbraw/zinc/75/82/20/562758220.db2.gz	NMOOZWKOIFRZQS-ZIUUJSQJSA-N	1	0	772.949	-1.530	1	30		KAEFRO
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(C)C)ccc21	ZINC000095546130	562758325	/nfs/dbraw/zinc/75/83/25/562758325.db2.gz	IWZIEQRGXWYMIK-QDFTXLGOSA-N	1	0	813.954	-1.485	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CCNC(=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	ZINC000095546508	562758498	/nfs/dbraw/zinc/75/84/98/562758498.db2.gz	VOEJDXAQQKXZFC-CKOJHNACSA-N	1	0	784.835	-1.727	1	30		KAEFRO
Cn1c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc3ccc(N)cc3)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO4)cc2n(C)c(=O)c1=O	ZINC000095546521	562758521	/nfs/dbraw/zinc/75/85/21/562758521.db2.gz	VEEIUIOINAKJCO-DMDYGQEQSA-N	1	0	741.810	-1.213	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1COc2ccc(NS(=O)(=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	ZINC000095546523	562758542	/nfs/dbraw/zinc/75/85/42/562758542.db2.gz	KTKFRVOTYYYEME-CLLDFNAGSA-N	1	0	749.811	-1.685	1	30		KAEFRO
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](CC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000095546537	562758573	/nfs/dbraw/zinc/75/85/73/562758573.db2.gz	GWEAENQFPUUYIN-BPSSIEEOSA-N	1	0	818.960	-6.012	1	30		KAEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)ON	ZINC000095595777	562776812	/nfs/dbraw/zinc/77/68/12/562776812.db2.gz	CYZWCRXWKYRAQC-NHKCCNDQSA-N	1	0	643.746	-1.615	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095608005	562783309	/nfs/dbraw/zinc/78/33/09/562783309.db2.gz	MPMLPBPNHLTRGO-NWJYYLABSA-N	1	0	762.910	-2.361	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@H](C)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095608006	562783290	/nfs/dbraw/zinc/78/32/90/562783290.db2.gz	MPMLPBPNHLTRGO-GSAYKZDLSA-N	1	0	762.910	-2.361	1	30		KAEFRO
CC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O	ZINC000095608627	562783606	/nfs/dbraw/zinc/78/36/06/562783606.db2.gz	KTHRLQPNDPQNOJ-AQRCPPRCSA-N	1	0	806.965	-2.722	1	30		KAEFRO
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O	ZINC000095609548	562783841	/nfs/dbraw/zinc/78/38/41/562783841.db2.gz	XGPDZNXHEQJDTK-RMPBONJYSA-N	1	0	748.286	-1.628	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095610113	562784213	/nfs/dbraw/zinc/78/42/13/562784213.db2.gz	UAAUJABPJJNKFZ-YKYKOHDQSA-N	1	0	793.023	-2.608	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095610193	562784231	/nfs/dbraw/zinc/78/42/31/562784231.db2.gz	IOAXITMJGKDHRW-KRCBVYEFSA-N	1	0	742.842	-1.467	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(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-]	ZINC000095610251	562784270	/nfs/dbraw/zinc/78/42/70/562784270.db2.gz	KBWQFFKVPUVNJB-XYDUZDRQSA-N	1	0	762.910	-2.531	1	30		KAEFRO
C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095610352	562784359	/nfs/dbraw/zinc/78/43/59/562784359.db2.gz	CGCXTKPVWBLRRX-AGFHODQESA-N	1	0	816.962	-3.456	1	30		KAEFRO
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H]([NH3+])CO)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000095610356	562784347	/nfs/dbraw/zinc/78/43/47/562784347.db2.gz	LWGNPTFIBKSZLD-QZQCWTALSA-N	1	0	759.910	-3.362	1	30		KAEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NCC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095610366	562784352	/nfs/dbraw/zinc/78/43/52/562784352.db2.gz	QLXXZWQYNZHJPC-QCOJBMJGSA-N	1	0	762.910	-2.879	1	30		KAEFRO
Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=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	ZINC000095611221	562784892	/nfs/dbraw/zinc/78/48/92/562784892.db2.gz	HYGAYFAMUMWXLE-SYVJQLTCSA-N	1	0	763.838	-1.377	1	30		KAEFRO
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CS)C(N)=O	ZINC000095611940	562785172	/nfs/dbraw/zinc/78/51/72/562785172.db2.gz	YAGSAYVQOAOBSK-AQRCPPRCSA-N	1	0	816.020	-2.004	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000095612340	562785421	/nfs/dbraw/zinc/78/54/21/562785421.db2.gz	UECOOOOFJTVXST-UBUZFBQHSA-N	1	0	817.946	-2.807	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O	ZINC000095614422	562786610	/nfs/dbraw/zinc/78/66/10/562786610.db2.gz	XFNZRSILYJIPQH-KTHKBMNISA-N	1	0	789.039	-2.057	1	30		KAEFRO
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(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095614435	562786599	/nfs/dbraw/zinc/78/65/99/562786599.db2.gz	MPKPUUMTVWCUNT-QCOJBMJGSA-N	1	0	762.910	-2.579	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000095614455	562786629	/nfs/dbraw/zinc/78/66/29/562786629.db2.gz	LBGGRQFOPJSBJF-VXBMVYAYSA-N	1	0	793.023	-2.766	1	30		KAEFRO
CC(C)C[C@H](NCC(=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(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000095614764	562786849	/nfs/dbraw/zinc/78/68/49/562786849.db2.gz	XEIPCRKHBIUXOB-QCOJBMJGSA-N	1	0	762.910	-2.879	1	30		KAEFRO
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@@H]([NH3+])CC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O	ZINC000096902678	562797546	/nfs/dbraw/zinc/79/75/46/562797546.db2.gz	HQSIZEQOCDBGSY-GKUXVWPZSA-N	1	0	800.919	-2.633	1	30		KAEFRO
CC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC1=O	ZINC000096902817	562797689	/nfs/dbraw/zinc/79/76/89/562797689.db2.gz	PRDVDZULGOXUCV-XWUOBKMESA-N	1	0	572.667	-2.013	1	30		KAEFRO
Cc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(C)C)C(=O)[O-])cc1	ZINC000096902818	562797669	/nfs/dbraw/zinc/79/76/69/562797669.db2.gz	HLPZGUIVQKLMNC-AQBORDMYSA-N	1	0	677.804	-1.798	1	30		KAEFRO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000096902864	562797719	/nfs/dbraw/zinc/79/77/19/562797719.db2.gz	SLTXGRFRNCTBKO-XMKWUEEFSA-N	1	0	827.941	-3.750	1	30		KAEFRO
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000096902895	562797737	/nfs/dbraw/zinc/79/77/37/562797737.db2.gz	DVLARHZYHPIMIT-KGJIALSRSA-N	1	0	634.735	-2.118	1	30		KAEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(N)=O	ZINC000096904135	562798106	/nfs/dbraw/zinc/79/81/06/562798106.db2.gz	QSPZOBJUSPJZKO-KQLYMOGASA-N	1	0	570.655	-2.287	1	30		KAEFRO
C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000096904309	562798272	/nfs/dbraw/zinc/79/82/72/562798272.db2.gz	VUEMSYBLOKDNKF-XMKWUEEFSA-N	1	0	827.941	-3.750	1	30		KAEFRO
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]([NH3+])[C@@H]3Sc1ncnc2c1ncn2C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000101983399	562812439	/nfs/dbraw/zinc/81/24/39/562812439.db2.gz	NRYZRCAYFGLASJ-OZOTXBBKSA-N	1	0	586.587	-1.552	1	30		KAEFRO
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]([NH3+])[C@@H]3Sc1ncnc2c1ncn2C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000101983403	562812458	/nfs/dbraw/zinc/81/24/58/562812458.db2.gz	NRYZRCAYFGLASJ-QWWJQANTSA-N	1	0	586.587	-1.552	1	30		KAEFRO
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]([NH3+])[C@H]3Sc1ncnc2c1ncn2C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000101983406	562812472	/nfs/dbraw/zinc/81/24/72/562812472.db2.gz	NRYZRCAYFGLASJ-UOKSKJQQSA-N	1	0	586.587	-1.552	1	30		KAEFRO
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]([NH3+])[C@H]3Sc1ncnc2c1ncn2C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000101983409	562812455	/nfs/dbraw/zinc/81/24/55/562812455.db2.gz	NRYZRCAYFGLASJ-YEGQKEMKSA-N	1	0	586.587	-1.552	1	30		KAEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000161290681	562849147	/nfs/dbraw/zinc/84/91/47/562849147.db2.gz	WYMJAGRHDJNLNY-QRZAQWHPSA-N	1	0	706.846	-2.294	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cccc(I)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169317300	562855922	/nfs/dbraw/zinc/85/59/22/562855922.db2.gz	BAQRIZXZXIKAGX-DNYGYILZSA-N	1	0	961.926	-2.383	1	30		KAEFRO
COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCSC)C[C@H]2C(=O)NO)cc1	ZINC000169332658	562859206	/nfs/dbraw/zinc/85/92/06/562859206.db2.gz	MNJRTUUIHAAUKO-RCBQFDQVSA-N	1	0	503.603	-1.355	1	30		KAEFRO
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(C)C)ccc21	ZINC000169339692	562860449	/nfs/dbraw/zinc/86/04/49/562860449.db2.gz	IWZIEQRGXWYMIK-WIHWMEOSSA-N	1	0	813.954	-1.485	1	30		KAEFRO
CCCCCCCCC(=O)NCCCCCC(=O)NCCC[NH2+][C@H](C(=O)[O-])[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	ZINC000169348431	562862269	/nfs/dbraw/zinc/86/22/69/562862269.db2.gz	DVBDESWXZNDPJA-FJGMGPCVSA-N	1	0	758.867	-2.077	1	30		KAEFRO
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169360641	562864156	/nfs/dbraw/zinc/86/41/56/562864156.db2.gz	HTSOVCREQRXHOL-DNYGYILZSA-N	1	0	854.020	-2.848	1	30		KAEFRO
N=C1N[C@H](O)N([C@H]2C=C[C@H](NC(=O)[C@@H]([NH3+])CO)[C@H]([C@](O)(C[C@@H](O)CNC(N)=[NH2+])C(=O)[O-])O2)C=C1CO	ZINC000211482221	562877095	/nfs/dbraw/zinc/87/70/95/562877095.db2.gz	AEVNGQKCBVULBP-YCMUTXHNSA-N	1	0	516.512	-6.263	1	30		KAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)[O-]	ZINC000473172831	562903335	/nfs/dbraw/zinc/90/33/35/562903335.db2.gz	YWJOYCGRIUEJLI-SXYSDOLCSA-N	1	0	708.847	-3.698	1	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)[C@H](C(C)C)n3cc(CCO)nn3)CC2)n1	ZINC000008690246	561707675	/nfs/dbraw/zinc/70/76/75/561707675.db2.gz	TVMYELFKWURHIG-HKBQPEDESA-N	1	0	782.908	-1.886	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)Cn3cc(C[C@H](C)O)nn3)CC2)n1	ZINC000008690247	561707733	/nfs/dbraw/zinc/70/77/33/561707733.db2.gz	PGYLTJWOMZBOCB-QFIPXVFZSA-N	1	0	602.697	-1.333	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)n1	ZINC000008690248	561707767	/nfs/dbraw/zinc/70/77/67/561707767.db2.gz	PGYLTJWOMZBOCB-JOCHJYFZSA-N	1	0	602.697	-1.333	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)[C@H](C(C)C)n3cc(CCO)nn3)CC2)n1	ZINC000008690254	561707850	/nfs/dbraw/zinc/70/78/50/561707850.db2.gz	QEWOSCJPTNSVLI-XIFFEERXSA-N	1	0	809.978	-1.140	3	30		KAEFRO
C[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2cc([N+](=O)[O-])cc(I)c2OCC[C@@H](C(N)=O)NC1=O	ZINC000008691281	561707975	/nfs/dbraw/zinc/70/79/75/561707975.db2.gz	KAGBWWSMKNHSSE-HERUPUMHSA-N	1	0	618.389	-1.391	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(C[C@H](C)O)nn3)CC2)nc(N2CCN(C(=O)[C@H](C)n3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000008829339	561708445	/nfs/dbraw/zinc/70/84/45/561708445.db2.gz	HZLLZVJOTHSBEH-NSOVKSMOSA-N	1	0	823.965	-2.463	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)[C@H](C)n3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000008829340	561708448	/nfs/dbraw/zinc/70/84/48/561708448.db2.gz	HZLLZVJOTHSBEH-IZLXSDGUSA-N	1	0	823.965	-2.463	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](C)n3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000008829345	561708455	/nfs/dbraw/zinc/70/84/55/561708455.db2.gz	KYFMUIHQRSLYGG-QHCPKHFHSA-N	1	0	657.781	-1.490	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CO)n3cc([C@@H]([NH3+])C(C)C)nn3)CC2)n1	ZINC000072126830	562725484	/nfs/dbraw/zinc/72/54/84/562725484.db2.gz	OKRHKIHGYDKVMN-DQEYMECFSA-N	1	0	645.766	-1.067	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CC(N)=O)n3cc([C@@H]([NH3+])C(C)C)nn3)CC2)n1	ZINC000072131665	562726740	/nfs/dbraw/zinc/72/67/40/562726740.db2.gz	LJJGPEYQODKRTR-AHWVRZQESA-N	1	0	672.792	-1.184	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCNC(N)=[NH2+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(C[C@H](C)O)nn3)CC2)n1	ZINC000095536746	562754083	/nfs/dbraw/zinc/75/40/83/562754083.db2.gz	OYRCIJPNJRSUHB-MHZLTWQESA-N	1	0	809.938	-3.024	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCNC(N)=[NH2+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)n1	ZINC000095536747	562754121	/nfs/dbraw/zinc/75/41/21/562754121.db2.gz	OYRCIJPNJRSUHB-HHHXNRCGSA-N	1	0	809.938	-3.024	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc(C[C@H](C)O)nn3)CC2)n1	ZINC000095548137	562759138	/nfs/dbraw/zinc/75/91/38/562759138.db2.gz	ZARUBNKNOBPBMO-NYDCQLBNSA-N	1	0	825.977	-2.025	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCO)nn3)CC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc(C[C@@H](C)O)nn3)CC2)n1	ZINC000095548138	562759128	/nfs/dbraw/zinc/75/91/28/562759128.db2.gz	ZARUBNKNOBPBMO-PPTMTGTBSA-N	1	0	825.977	-2.025	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)O)n3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000095548974	562759660	/nfs/dbraw/zinc/75/96/60/562759660.db2.gz	UPPKPMRJPWKORV-JBKHTMJZSA-N	1	0	825.977	-2.026	3	30		KAEFRO
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(C[C@H](C)O)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)O)n3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000095548975	562759671	/nfs/dbraw/zinc/75/96/71/562759671.db2.gz	UPPKPMRJPWKORV-FBXLTAPESA-N	1	0	825.977	-2.026	3	30		KAEFRO