smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000003831641	561683375	/nfs/dbraw/zinc/68/33/75/561683375.db2.gz	QRBIRSCLEVEODD-BDTNDASRSA-N	2	0	549.701	2.049	1	0	in-vivo	KEAFRP
Nc1[nH]c([C@@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)c[nH+]1	ZINC000003914233	561684411	/nfs/dbraw/zinc/68/44/11/561684411.db2.gz	DMMLTRAQSJWUHT-OGTWGDGJSA-N	2	0	620.310	2.259	1	0		KEAFRP
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7cc(C(N)=[NH2+])ccc7o6)CC5)cc4)CC3)cc2c1	ZINC000003940767	561689354	/nfs/dbraw/zinc/68/93/54/561689354.db2.gz	XBLJTWKIPZEWCV-UHFFFAOYSA-N	2	0	734.770	2.474	1	0		KEAFRP
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC([C@H](C)NC(=O)[C@H](C)[NH3+])=C[C@@H](Cc2ccccc2)C1)C(C)C)C(C)C	ZINC000003942377	561689459	/nfs/dbraw/zinc/68/94/59/561689459.db2.gz	AAROLUGLGDXGEZ-CFILSVQKSA-N	2	0	585.790	2.172	1	0	in-vitro	KEAFRP
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCC[NH2+]CCc2ccccc2CN1	ZINC000003991144	561693458	/nfs/dbraw/zinc/69/34/58/561693458.db2.gz	LYVSCNRRXJZCRV-QHCPKHFHSA-N	2	0	509.054	2.362	1	0	in-vitro	KEAFRP
CC[NH+](CC)CCNC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)NCC[NH+](CC)CC	ZINC000005809370	561698391	/nfs/dbraw/zinc/69/83/91/561698391.db2.gz	PKJPFDIICKPNII-UHFFFAOYSA-N	2	0	524.666	2.407	1	0		KEAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N1CCN(c2nc3nc(NCc4ccccc4)c(Cl)nc3c(N3CCCC3)n2)CC1	ZINC000006041260	561702321	/nfs/dbraw/zinc/70/23/21/561702321.db2.gz	JQJVTGFOYVLQQW-HXUWFJFHSA-N	2	0	553.115	2.390	1	0		KEAFRP
O=C(CC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCC(O)CC3)ccc1-2	ZINC000013557235	561718887	/nfs/dbraw/zinc/71/88/87/561718887.db2.gz	NWMPOQQXQBDYEU-UHFFFAOYSA-N	2	0	520.630	2.469	1	0		KEAFRP
[NH3+]CCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CC[NH3+])c5c4)CC3)cc12	ZINC000013604972	561721765	/nfs/dbraw/zinc/72/17/65/561721765.db2.gz	GFOYUJCBRJCYDH-UHFFFAOYSA-N	2	0	504.635	2.254	1	0		KEAFRP
C[NH2+]C1(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nc3ccccc3s2)CCCCC1	ZINC000013612352	561722068	/nfs/dbraw/zinc/72/20/68/561722068.db2.gz	PGNYFNNGKFDODI-OALUTQOASA-N	2	0	527.695	2.140	1	0		KEAFRP
NC(=[NH2+])NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000014210015	561737787	/nfs/dbraw/zinc/73/77/87/561737787.db2.gz	BKOKSJAQZJNVPN-VWLOTQADSA-N	2	0	549.701	2.125	1	0	in-vivo	KEAFRP
C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)c1ccccc1	ZINC000014954476	561746978	/nfs/dbraw/zinc/74/69/78/561746978.db2.gz	JFQDTXIAKGVOKU-JAXLGGSGSA-N	2	0	535.674	2.179	1	0		KEAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C(C)C	ZINC000014954515	561747021	/nfs/dbraw/zinc/74/70/21/561747021.db2.gz	KRHCNQAFUSINQB-XJUOHMSHSA-N	2	0	551.717	2.199	1	0		KEAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C(C)C	ZINC000014954519	561746968	/nfs/dbraw/zinc/74/69/68/561746968.db2.gz	KRHCNQAFUSINQB-XPNTWCBSSA-N	2	0	551.717	2.199	1	0		KEAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954540	561746964	/nfs/dbraw/zinc/74/69/64/561746964.db2.gz	VZDIVDYMIVRVBJ-ZRBLBEILSA-N	2	0	563.728	2.439	1	0		KEAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(F)cc2s1	ZINC000014954713	561747177	/nfs/dbraw/zinc/74/71/77/561747177.db2.gz	AHPOLLQLTFYHDQ-BDTNDASRSA-N	2	0	567.691	2.188	1	0		KEAFRP
c1cc2nc(c1)CC[NH2+]CCN(Cc1ccc(CN3CC[NH2+]CCc4cccc(n4)CC[NH2+]CC3)cc1)CC[NH2+]CC2	ZINC000022449454	561759256	/nfs/dbraw/zinc/75/92/56/561759256.db2.gz	LYOIMQOXLSAORE-UHFFFAOYSA-N	4	0	570.830	2.037	1	0		KEAFRP
C[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CCN4CC[NH+](C)CC4)ccc2-3)CC1	ZINC000022931044	561760302	/nfs/dbraw/zinc/76/03/02/561760302.db2.gz	VKCLRUBTVNOXDS-UHFFFAOYSA-N	2	0	518.662	2.050	1	0		KEAFRP
c1cc(CN2CCCOCCOCCC[NH2+]CC2)ccc1CN1CCCOCCOCCC[NH2+]CC1	ZINC000022931048	561760228	/nfs/dbraw/zinc/76/02/28/561760228.db2.gz	ITAZXRCDWWQTOH-UHFFFAOYSA-N	2	0	506.732	2.124	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(CNC(=O)CCNC(=O)OCc2ccc(COC(=O)NCCC(=O)NCc3ccc(NC(N)=[NH2+])cc3)cc2)cc1	ZINC000026395684	561786975	/nfs/dbraw/zinc/78/69/75/561786975.db2.gz	QKOSVMOEBWMQSO-UHFFFAOYSA-N	2	0	660.736	2.163	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)OC3CC4CC(OC(=O)N5CCN(C(=O)NCc6ccc(NC(N)=[NH2+])cc6)CC5)CC4C3)CC2)cc1	ZINC000026397143	561787247	/nfs/dbraw/zinc/78/72/47/561787247.db2.gz	AXSNVXXFFRESMN-UHFFFAOYSA-N	2	0	746.874	2.482	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(N)=[NH2+])cc4)CC3)CC2)cc1	ZINC000026402053	561788618	/nfs/dbraw/zinc/78/86/18/561788618.db2.gz	SCBIPCJXEMVPQX-UHFFFAOYSA-N	2	0	704.881	2.436	1	0		KEAFRP
[NH3+]Cc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1	ZINC000026403938	561789264	/nfs/dbraw/zinc/78/92/64/561789264.db2.gz	PKWZPPLXHJULQB-UHFFFAOYSA-N	2	0	572.710	2.030	1	0		KEAFRP
C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(C[NH3+])cc2)cc1)C(=O)NCc1ccc(C[NH3+])cc1	ZINC000026470230	561790298	/nfs/dbraw/zinc/79/02/98/561790298.db2.gz	UFOLUMXDIVXLEH-VXKWHMMOSA-N	2	0	604.708	2.466	1	0		KEAFRP
C[C@@H](NC(=O)OCc1ccc(COC(=O)N[C@H](C)C(=O)NCc2ccc(C[NH3+])cc2)cc1)C(=O)NCc1ccc(C[NH3+])cc1	ZINC000026470237	561790274	/nfs/dbraw/zinc/79/02/74/561790274.db2.gz	UFOLUMXDIVXLEH-FGZHOGPDSA-N	2	0	604.708	2.466	1	0		KEAFRP
CN(CC(=O)NCc1ccc(C[NH3+])cc1)C(=O)OCc1ccc(COC(=O)N(C)CC(=O)NCc2ccc(C[NH3+])cc2)cc1	ZINC000026470243	561790283	/nfs/dbraw/zinc/79/02/83/561790283.db2.gz	ACULTQKPVQHRLM-UHFFFAOYSA-N	2	0	604.708	2.374	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(N)=[NH2+])cc4)CC3)CC2)cc1	ZINC000026470636	561790401	/nfs/dbraw/zinc/79/04/01/561790401.db2.gz	NLJGWVWBVAVMER-UHFFFAOYSA-N	2	0	690.854	2.046	1	0		KEAFRP
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H]([NH3+])C(=O)N[C@H](Cc2ccccc2)C1=O	ZINC000026572171	561798261	/nfs/dbraw/zinc/79/82/61/561798261.db2.gz	GZTQTNKCARBIQC-KWBMWPQYSA-N	2	0	659.832	2.059	1	0		KEAFRP
CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])C(C)(C)C	ZINC000026728131	561816261	/nfs/dbraw/zinc/81/62/61/561816261.db2.gz	JGMKSNHINWQEIP-TZFYSIHZSA-N	2	0	540.749	2.158	1	0		KEAFRP
CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])C(C)(C)C	ZINC000026729731	561816536	/nfs/dbraw/zinc/81/65/36/561816536.db2.gz	JGMKSNHINWQEIP-VYLWARHZSA-N	2	0	540.749	2.158	1	0		KEAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1cccc(C[NH3+])c1	ZINC000026815582	561820130	/nfs/dbraw/zinc/82/01/30/561820130.db2.gz	NSHUDUCYBQGIIE-OWHBQTKESA-N	2	0	622.770	2.466	1	0		KEAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1cccc(C[NH3+])c1	ZINC000026815587	561820126	/nfs/dbraw/zinc/82/01/26/561820126.db2.gz	NSHUDUCYBQGIIE-CPCREDONSA-N	2	0	622.770	2.466	1	0		KEAFRP
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1	ZINC000026961808	561829620	/nfs/dbraw/zinc/82/96/20/561829620.db2.gz	ZTIRJAXNXYBOIK-UHFFFAOYSA-N	2	0	570.610	2.083	1	0		KEAFRP
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccccc4OCC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1	ZINC000026967554	561830091	/nfs/dbraw/zinc/83/00/91/561830091.db2.gz	AZEBDSIKGXLILJ-UHFFFAOYSA-N	2	0	734.770	2.474	1	0		KEAFRP
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)CCCC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1	ZINC000026973477	561830647	/nfs/dbraw/zinc/83/06/47/561830647.db2.gz	PSVMRRUTEIHNTO-UHFFFAOYSA-N	2	0	640.701	2.186	1	0		KEAFRP
COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C[NH3+])c2)cc1	ZINC000027105958	561840174	/nfs/dbraw/zinc/84/01/74/561840174.db2.gz	IWNSJKLSAWLPNI-AHWVRZQESA-N	2	0	528.631	2.408	1	0		KEAFRP
C[C@@H]1CN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5C[C@H](C)[NH2+]C[C@@H]5C)sc4cc3s2)[C@@H](C)C[NH2+]1	ZINC000027191591	561843650	/nfs/dbraw/zinc/84/36/50/561843650.db2.gz	HSLQUYOMBTWNGX-FZKCQIBNSA-N	2	0	530.724	2.147	1	0		KEAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(C[NH3+])cc1	ZINC000027200299	561845111	/nfs/dbraw/zinc/84/51/11/561845111.db2.gz	IMMXNESCNHABJS-DCMFLLSESA-N	2	0	622.770	2.466	1	0		KEAFRP
O=c1cc2[nH]c(c1)C[NH2+]CCCN(Cc1ccc(CN3CCC[NH2+]Cc4cc(=O)cc([nH]4)C[NH2+]CCC3)cc1)CCC[NH2+]C2	ZINC000027314048	561851404	/nfs/dbraw/zinc/85/14/04/561851404.db2.gz	RUCPLYYWZKSLQD-UHFFFAOYSA-N	4	0	602.828	2.014	1	0		KEAFRP
CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)C[NH2+]CCCCCC[NH2+]CC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1	ZINC000027850788	561886132	/nfs/dbraw/zinc/88/61/32/561886132.db2.gz	JFRXWKSHJKGEAT-RNPORBBMSA-N	4	0	644.858	2.479	1	0		KEAFRP
CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)C[NH2+]CCCCCC[NH2+]CC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1	ZINC000027850796	561886118	/nfs/dbraw/zinc/88/61/18/561886118.db2.gz	JFRXWKSHJKGEAT-KYJUHHDHSA-N	4	0	644.858	2.479	1	0		KEAFRP
CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)C[NH2+]CCCCCC[NH2+]CC(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)cc1	ZINC000027850803	561886125	/nfs/dbraw/zinc/88/61/25/561886125.db2.gz	JFRXWKSHJKGEAT-LOYHVIPDSA-N	4	0	644.858	2.479	1	0		KEAFRP
NC(=[NH2+])CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CC4CC4)c3)nc2)cn1CC1CC1	ZINC000027893206	561889922	/nfs/dbraw/zinc/88/99/22/561889922.db2.gz	QBLUSZSAXNYWNL-UHFFFAOYSA-N	2	0	629.726	2.121	1	0		KEAFRP
C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](C)CC[C@]41[C@@]3(O)C2	ZINC000027979022	561891453	/nfs/dbraw/zinc/89/14/53/561891453.db2.gz	ASOVJVGZJDVADR-UCDXVGGRSA-N	2	0	581.669	2.264	1	0		KEAFRP
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[NH2+]1	ZINC000028220713	561907326	/nfs/dbraw/zinc/90/73/26/561907326.db2.gz	GXIDPNDXYSCSAI-OYUWMTPXSA-N	2	0	557.699	2.357	1	0		KEAFRP
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[NH2+]1	ZINC000028220720	561907255	/nfs/dbraw/zinc/90/72/55/561907255.db2.gz	GXIDPNDXYSCSAI-ZONZVBGPSA-N	2	0	557.699	2.357	1	0		KEAFRP
C[C@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)[NH+]1CCN(C)CC1	ZINC000028396694	561923173	/nfs/dbraw/zinc/92/31/73/561923173.db2.gz	VYQGKUHPQRKBNX-ATIYNZHBSA-N	2	0	541.140	2.373	1	0		KEAFRP
C[C@@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)[NH+]1CCN(C)CC1	ZINC000028396699	561923178	/nfs/dbraw/zinc/92/31/78/561923178.db2.gz	VYQGKUHPQRKBNX-BKMJKUGQSA-N	2	0	541.140	2.373	1	0		KEAFRP
C[NH+]1CCC(N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1	ZINC000028637369	561941555	/nfs/dbraw/zinc/94/15/55/561941555.db2.gz	LFBBKJCTYBFBHU-WNWUTZSISA-N	2	0	677.850	2.223	1	0		KEAFRP
Cc1cccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCN(C(=O)CCCCCCCCCCC[NH3+])CC2)c1	ZINC000028643384	561944076	/nfs/dbraw/zinc/94/40/76/561944076.db2.gz	MMSGVKVRJOMARN-SANMLTNESA-N	2	0	593.839	2.436	1	0		KEAFRP
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)nc(N4C[C@@H](C[NH3+])C[C@@H](C[NH3+])C4)n3)cc2O)cc1	ZINC000028703903	561947925	/nfs/dbraw/zinc/94/79/25/561947925.db2.gz	ORKPRBHRKDQIJP-KMKVIZFGSA-N	4	0	701.902	2.249	1	0		KEAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3CCC[C@@H](O)C3)n2)C1	ZINC000028703944	561947987	/nfs/dbraw/zinc/94/79/87/561947987.db2.gz	YWGIHSQTHTZZGI-WSTZPKSXSA-N	2	0	554.055	2.052	1	0		KEAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3CCC[C@H](O)C3)n2)C1	ZINC000028703946	561947964	/nfs/dbraw/zinc/94/79/64/561947964.db2.gz	YWGIHSQTHTZZGI-NSHGMRRFSA-N	2	0	554.055	2.052	1	0		KEAFRP
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4CC[C@H](O)[C@H](C[NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1	ZINC000028703956	561947977	/nfs/dbraw/zinc/94/79/77/561947977.db2.gz	JJZATEMYLDPEKV-YTEUAAESSA-N	3	0	688.859	2.035	1	0		KEAFRP
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4CC([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1	ZINC000028703973	561947961	/nfs/dbraw/zinc/94/79/61/561947961.db2.gz	WEIHEAUKCFFZJQ-ZRZAMGCNSA-N	3	0	630.779	2.037	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@]([NH3+])(Cc3ccccc3)C(=O)N21)C(=O)c1nc2ccccc2s1	ZINC000028772125	561961591	/nfs/dbraw/zinc/96/15/91/561961591.db2.gz	DBIFEKMGESFACJ-WQKYYSFTSA-N	2	0	561.712	2.321	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@@]([NH3+])(Cc3ccccc3)C(=O)N21)C(=O)c1nc2ccccc2s1	ZINC000028772128	561961640	/nfs/dbraw/zinc/96/16/40/561961640.db2.gz	DBIFEKMGESFACJ-LIWGRTDTSA-N	2	0	561.712	2.321	1	0		KEAFRP
COc1cc2c(cc1OCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[n+]1cc3c(ccc(OC)c3OCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1-2	ZINC000028814948	561961894	/nfs/dbraw/zinc/96/18/94/561961894.db2.gz	ZDXFQXHQSKKEBU-KYJUHHDHSA-O	5	0	694.898	2.050	1	0		KEAFRP
COc1ccc2cc3[n+](cc2c1OCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])CCc1cc(OCCCNC(=O)[C@H]([NH3+])CCCC[NH3+])c(OC)cc1-3	ZINC000028814950	561961889	/nfs/dbraw/zinc/96/18/89/561961889.db2.gz	ZDXFQXHQSKKEBU-IHLOFXLRSA-O	5	0	694.898	2.050	1	0		KEAFRP
COc1ccc2cc3[n+](cc2c1OCCCNC(=O)[C@H]([NH3+])CCCC[NH3+])CCc1cc(OCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])c(OC)cc1-3	ZINC000028814952	561961810	/nfs/dbraw/zinc/96/18/10/561961810.db2.gz	ZDXFQXHQSKKEBU-XZWHSSHBSA-O	5	0	694.898	2.050	1	0		KEAFRP
COc1cc2c(cc1OCCCNC(=O)[C@H]([NH3+])CCCC[NH3+])CC[n+]1cc3c(ccc(OC)c3OCCCNC(=O)[C@H]([NH3+])CCCC[NH3+])cc1-2	ZINC000028814954	561961871	/nfs/dbraw/zinc/96/18/71/561961871.db2.gz	ZDXFQXHQSKKEBU-LOYHVIPDSA-O	5	0	694.898	2.050	1	0		KEAFRP
CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)n(C)c1	ZINC000028863993	561972552	/nfs/dbraw/zinc/97/25/52/561972552.db2.gz	MYXSCEYQVCMZBL-UHFFFAOYSA-N	2	0	509.615	2.297	1	0		KEAFRP
CC(C)[C@H]([NH3+])C(=O)SCCOP(=O)(COCCn1cnc2c1ncnc2N)OCCSC(=O)[C@@H]([NH3+])C(C)C	ZINC000028886296	561977587	/nfs/dbraw/zinc/97/75/87/561977587.db2.gz	HBXBSYWCCOOBEP-IRXDYDNUSA-N	2	0	591.697	2.095	1	0		KEAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2cc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000029048797	561993695	/nfs/dbraw/zinc/99/36/95/561993695.db2.gz	RDXQFAJPUUJNLE-COPRSSIGSA-N	4	0	582.713	2.061	1	0		KEAFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000029125244	561997361	/nfs/dbraw/zinc/99/73/61/561997361.db2.gz	QIVIRMCXSHIRPU-UETOGOEVSA-N	2	0	563.728	2.439	1	0		KEAFRP
[NH3+]CCCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1	ZINC000029222659	562007482	/nfs/dbraw/zinc/00/74/82/562007482.db2.gz	KRGQYFMUAVBAPT-SVBPBHIXSA-N	2	0	545.769	2.078	1	0		KEAFRP
[NH3+]CCCCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1	ZINC000029223593	562007630	/nfs/dbraw/zinc/00/76/30/562007630.db2.gz	LJLRHDIMJJJUJT-NSOVKSMOSA-N	2	0	559.796	2.468	1	0		KEAFRP
[NH3+]CCCCCc1cccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)c1	ZINC000029225209	562007956	/nfs/dbraw/zinc/00/79/56/562007956.db2.gz	PALHLMOONVINLJ-SVBPBHIXSA-N	2	0	545.769	2.078	1	0		KEAFRP
[NH3+]CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000029307542	562011820	/nfs/dbraw/zinc/01/18/20/562011820.db2.gz	YUBVMRWUYHONDP-ZQUSMLRHSA-N	2	0	650.776	2.373	1	0		KEAFRP
[NH3+]CC1CCN(C(=O)NCCCCNC(=O)OCc2ccc(COC(=O)NCCCCNC(=O)N3CCC(C[NH3+])CC3)cc2)CC1	ZINC000029395934	562018534	/nfs/dbraw/zinc/01/85/34/562018534.db2.gz	FIEBKYPGBVXLIX-UHFFFAOYSA-N	2	0	646.834	2.460	1	0		KEAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(C[NH3+])c1	ZINC000029568796	562035030	/nfs/dbraw/zinc/03/50/30/562035030.db2.gz	GHCBAJHMFBZCQZ-DCMFLLSESA-N	2	0	622.770	2.466	1	0		KEAFRP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1C[NH3+]	ZINC000029571062	562035684	/nfs/dbraw/zinc/03/56/84/562035684.db2.gz	UHAMGMVNJHTCIQ-DCMFLLSESA-N	2	0	622.770	2.466	1	0		KEAFRP
NC(=[NH2+])NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1	ZINC000034689222	562039663	/nfs/dbraw/zinc/03/96/63/562039663.db2.gz	OTGQDAVVEHBHSE-VWLOTQADSA-N	2	0	592.726	2.159	1	0		KEAFRP
NC(=[NH2+])NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc32)CC1	ZINC000034717889	562040015	/nfs/dbraw/zinc/04/00/15/562040015.db2.gz	ACVPPNXFXGZKPH-DEOSSOPVSA-N	2	0	549.701	2.125	1	0		KEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)nc1C	ZINC000036216381	562051200	/nfs/dbraw/zinc/05/12/00/562051200.db2.gz	AIOLFDZVYRFPMH-VMPREFPWSA-N	2	0	620.795	2.351	1	0		KEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O	ZINC000036216384	562051258	/nfs/dbraw/zinc/05/12/58/562051258.db2.gz	JZVUQVMVBXOURL-VMPREFPWSA-N	2	0	620.795	2.351	1	0		KEAFRP
COC[C@H](C)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036284873	562053446	/nfs/dbraw/zinc/05/34/46/562053446.db2.gz	MXVGTUIMFVMYEF-FDDCHVKYSA-N	2	0	551.519	2.238	1	0		KEAFRP
COC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036284877	562053492	/nfs/dbraw/zinc/05/34/92/562053492.db2.gz	MXVGTUIMFVMYEF-WZONZLPQSA-N	2	0	551.519	2.238	1	0		KEAFRP
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH3+]	ZINC000039205347	562072891	/nfs/dbraw/zinc/07/28/91/562072891.db2.gz	KQHWCFZCUNTTCW-VEGWMBEDSA-N	2	0	505.663	2.233	1	0	in-vitro	KEAFRP
C[C@@H]1CN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5C[C@H](C)[NH2+]C[C@@H]5C)sc4cc3s2)[C@H](C)C[NH2+]1	ZINC000040487254	562077518	/nfs/dbraw/zinc/07/75/18/562077518.db2.gz	HSLQUYOMBTWNGX-GEEKYZPCSA-N	2	0	530.724	2.147	1	0		KEAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(Br)cc1Br	ZINC000040576840	562078281	/nfs/dbraw/zinc/07/82/81/562078281.db2.gz	AYOXSVFDVJHUTK-UHFFFAOYSA-N	3	0	500.301	2.188	1	0		KEAFRP
[NH3+]CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](CCCc2ccccc2)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000040865583	562081334	/nfs/dbraw/zinc/08/13/34/562081334.db2.gz	KETPHPFDADJIHG-VWLOTQADSA-N	2	0	529.707	2.231	1	0		KEAFRP
NC(=[NH2+])NCCCn1c(C(=O)NCCc2ccc3ccccc3c2)cc2cc(NC(=O)CNC(N)=[NH2+])ccc21	ZINC000040934538	562084867	/nfs/dbraw/zinc/08/48/67/562084867.db2.gz	VYZVZLTYTDUOHT-UHFFFAOYSA-N	2	0	527.633	2.062	1	0		KEAFRP
NC(=[NH2+])NCCCn1c(C(=O)NCCc2cccc3ccccc32)cc2cc(NC(=O)CNC(N)=[NH2+])ccc21	ZINC000040935065	562084876	/nfs/dbraw/zinc/08/48/76/562084876.db2.gz	KTNSRVXXQASYCV-UHFFFAOYSA-N	2	0	527.633	2.062	1	0		KEAFRP
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc([C@@H]3CCC(N)=[NH+]C3)c2)CC1	ZINC000043198206	562646841	/nfs/dbraw/zinc/64/68/41/562646841.db2.gz	UOTOYBTZKXEHEV-VPUSJEBWSA-N	2	0	609.797	2.250	1	0		KEAFRP
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc([C@H]3CCC(N)=[NH+]C3)c2)CC1	ZINC000043198207	562646842	/nfs/dbraw/zinc/64/68/42/562646842.db2.gz	UOTOYBTZKXEHEV-BDYUSTAISA-N	2	0	609.797	2.250	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(C(=O)OCc3ccccc3)CC2)c1	ZINC000043198208	562646832	/nfs/dbraw/zinc/64/68/32/562646832.db2.gz	CCMLMPOXZOHJKS-NDEPHWFRSA-N	2	0	634.759	2.130	1	0		KEAFRP
Nc1[nH]c([C@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)c[nH+]1	ZINC000044359788	562655516	/nfs/dbraw/zinc/65/55/16/562655516.db2.gz	DMMLTRAQSJWUHT-KSYCPYKJSA-N	2	0	620.310	2.259	1	0		KEAFRP
CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000044386964	562656042	/nfs/dbraw/zinc/65/60/42/562656042.db2.gz	LUPXQCQGUVPHLX-QHCPKHFHSA-N	2	0	544.678	2.016	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000044387035	562656030	/nfs/dbraw/zinc/65/60/30/562656030.db2.gz	YXXOMQLSCCTIBA-VWLOTQADSA-N	2	0	549.701	2.092	1	0		KEAFRP
NC(=O)CC[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000049590083	562664919	/nfs/dbraw/zinc/66/49/19/562664919.db2.gz	GCEQDZVIBGXNEW-CUPIEXAXSA-N	3	0	684.882	2.447	1	0		KEAFRP
CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[NH3+]	ZINC000049695474	562670596	/nfs/dbraw/zinc/67/05/96/562670596.db2.gz	CTTRVUXCBAGJKN-VEGWMBEDSA-N	2	0	505.663	2.103	1	0		KEAFRP
CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH3+]	ZINC000049695583	562670775	/nfs/dbraw/zinc/67/07/75/562670775.db2.gz	NTMBSFPXIRJHSX-HOIWYFOJSA-N	2	0	519.690	2.493	1	0		KEAFRP
CC[NH2+]C[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@H]1NC(=O)[C@@H]([NH3+])CC	ZINC000049710321	562671650	/nfs/dbraw/zinc/67/16/50/562671650.db2.gz	DXHHOMHJRYFCHK-HOIWYFOJSA-N	2	0	519.690	2.493	1	0		KEAFRP
N=C1NC(=[NH2+])N[C@@H](/C=C/c2ccccc2)N1OCCCCCCON1C(=N)NC(=[NH2+])N[C@@H]1/C=C/c1ccccc1	ZINC000049746329	562674397	/nfs/dbraw/zinc/67/43/97/562674397.db2.gz	GKMZEVUPPXQNSS-GIJISPAGSA-N	2	0	544.664	2.379	1	0		KEAFRP
CC[N@H+](CCCNC(=S)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049775794	562679230	/nfs/dbraw/zinc/67/92/30/562679230.db2.gz	WBHHUIVQRYYJNQ-UHFFFAOYSA-N	4	0	614.909	2.312	1	0		KEAFRP
[NH3+]CC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2	ZINC000049785487	562684011	/nfs/dbraw/zinc/68/40/11/562684011.db2.gz	MAHSNMHMPQFBFA-RYUDHWBXSA-N	2	0	602.524	2.236	1	0		KEAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000049942331	562695449	/nfs/dbraw/zinc/69/54/49/562695449.db2.gz	OARDGMWMDPSMKU-IAFDGEETSA-N	4	0	635.777	2.223	1	0		KEAFRP
COc1cc2c(cc1OCCN(C)CC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058568306	562699458	/nfs/dbraw/zinc/69/94/58/562699458.db2.gz	AYPNTBYXEPWTIY-UHFFFAOYSA-N	3	0	528.746	2.159	1	0		KEAFRP
COc1cc2c(cc1OCCCN1CCOCC1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058569076	562699545	/nfs/dbraw/zinc/69/95/45/562699545.db2.gz	WUGAIKUDKBPNMJ-UHFFFAOYSA-N	2	0	527.714	2.388	1	0		KEAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1	ZINC000064527497	562706952	/nfs/dbraw/zinc/70/69/52/562706952.db2.gz	YWTUAPLXBMYELT-MHZLTWQESA-N	3	0	544.785	2.005	1	0		KEAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1	ZINC000064527498	562706962	/nfs/dbraw/zinc/70/69/62/562706962.db2.gz	AWQSDFYHCFZOJA-NDEPHWFRSA-N	3	0	552.764	2.129	1	0		KEAFRP
C[NH+](C)[C@@H]1CCN(CC(=O)Nc2ccc(Cc3ccc(NC(=O)CN4CC[C@@H]([NH+](C)C)C4)cc3)cc2)C1	ZINC000066066563	562709403	/nfs/dbraw/zinc/70/94/03/562709403.db2.gz	IZJZENQNXMUZRW-KAYWLYCHSA-N	2	0	506.695	2.426	1	0		KEAFRP
C[NH+](C)[C@H]1CCN(CC(=O)Nc2ccc(Cc3ccc(NC(=O)CN4CC[C@H]([NH+](C)C)C4)cc3)cc2)C1	ZINC000066101453	562711401	/nfs/dbraw/zinc/71/14/01/562711401.db2.gz	IZJZENQNXMUZRW-SVBPBHIXSA-N	2	0	506.695	2.426	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(O[C@@H]2C[C@H](Oc3ccc(NC(N)=[NH2+])c4ccccc34)[C@@H](NC(N)=[NH2+])C[C@H]2NC(N)=[NH2+])c2ccccc12	ZINC000070613829	562716426	/nfs/dbraw/zinc/71/64/26/562716426.db2.gz	LTXPGDDRGDRKKV-MNHALERFSA-N	4	0	596.700	2.296	1	0		KEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2[nH]1	ZINC000070631605	562716473	/nfs/dbraw/zinc/71/64/73/562716473.db2.gz	GUWAGEJINYNLRX-FMYROPPKSA-N	2	0	624.746	2.340	1	0		KEAFRP
CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC[NH3+])cc2)cc1	ZINC000072112628	562722145	/nfs/dbraw/zinc/72/21/45/562722145.db2.gz	ZHJRVVJHNMDAHH-VSGBNLITSA-N	2	0	577.726	2.400	1	0		KEAFRP
Cn1cccc1C1=C(c2ccco2)C(=O)N(CC[NH2+]CCC[NH2+]CCN2C(=O)C(c3ccco3)=C(c3cccn3C)C2=O)C1=O	ZINC000072113795	562722463	/nfs/dbraw/zinc/72/24/63/562722463.db2.gz	RJFLHOHRKKZGCR-UHFFFAOYSA-N	2	0	610.671	2.378	1	0		KEAFRP
COc1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc3ccc4ccccc4c3)C2)cc1	ZINC000072117172	562723423	/nfs/dbraw/zinc/72/34/23/562723423.db2.gz	FFZXEVKBNFMVKP-NLDZOOGBSA-N	2	0	559.711	2.007	1	0		KEAFRP
[NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc(I)cc1	ZINC000072118185	562723446	/nfs/dbraw/zinc/72/34/46/562723446.db2.gz	IIYCHYIEBLWDPC-RCTAOEEJSA-N	2	0	586.474	2.066	1	0		KEAFRP
[NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCc2ccc(O)cc2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1	ZINC000072118335	562723508	/nfs/dbraw/zinc/72/35/08/562723508.db2.gz	PEPWDAGYXVKRRT-NLDZOOGBSA-N	2	0	559.711	2.094	1	0		KEAFRP
[NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[C@H]1C(=O)NCCc1ccc2ccccc2c1	ZINC000072118653	562723578	/nfs/dbraw/zinc/72/35/78/562723578.db2.gz	PURGBYYXLXKSLH-NLDZOOGBSA-N	2	0	568.722	2.480	1	0		KEAFRP
[NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCc2ccccc2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1	ZINC000072118796	562723654	/nfs/dbraw/zinc/72/36/54/562723654.db2.gz	WDDOHCNRJKTMFK-NLDZOOGBSA-N	2	0	543.712	2.388	1	0		KEAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072142555	562729552	/nfs/dbraw/zinc/72/95/52/562729552.db2.gz	PVPALHLVZQDFRS-PFBJBMPXSA-N	2	0	571.726	2.198	1	0		KEAFRP
NC(=[NH2+])NC1CCC(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000072171852	562730515	/nfs/dbraw/zinc/73/05/15/562730515.db2.gz	WLSIPTOSUQYOIC-QYVZARNFSA-N	3	0	606.816	2.034	1	0		KEAFRP
NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)Cc1ccccc1	ZINC000072172220	562730689	/nfs/dbraw/zinc/73/06/89/562730689.db2.gz	HSAQNHSMBXXSCF-KCHLEUMXSA-N	2	0	556.711	2.234	1	0		KEAFRP
COc1cc(C(N)=[NH2+])ccc1OCCN(CCOc1ccc(C(N)=[NH2+])cc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000073220371	562736273	/nfs/dbraw/zinc/73/62/73/562736273.db2.gz	UIGKLIMTANGBIK-UHFFFAOYSA-N	2	0	598.682	2.379	1	0		KEAFRP
COc1cc(C(N)=[NH2+])cc(OC)c1OCCN(CCOc1c(OC)cc(C(N)=[NH2+])cc1OC)S(=O)(=O)c1ccc(N)cc1	ZINC000073221104	562736286	/nfs/dbraw/zinc/73/62/86/562736286.db2.gz	UMJZSMUGVPCFFH-UHFFFAOYSA-N	2	0	616.697	2.020	1	0		KEAFRP
COc1cc(C(N)=[NH2+])ccc1OCCN(CCOc1ccc(C(N)=[NH2+])cc1OC)S(=O)(=O)c1ccccc1	ZINC000073224974	562736822	/nfs/dbraw/zinc/73/68/22/562736822.db2.gz	WNLCXJJZRVXJFZ-UHFFFAOYSA-N	2	0	541.630	2.421	1	0		KEAFRP
COc1cc(C(N)=[NH2+])cc(OC)c1OCCN(CCOc1c(OC)cc(C(N)=[NH2+])cc1OC)S(=O)(=O)c1ccccc1	ZINC000073224975	562736791	/nfs/dbraw/zinc/73/67/91/562736791.db2.gz	XLQLISKTIOBAOG-UHFFFAOYSA-N	2	0	601.682	2.438	1	0		KEAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2nc3nc(NCc4ccccc4)c(Cl)nc3c(N3CCCC3)n2)CC1	ZINC000073371045	562738445	/nfs/dbraw/zinc/73/84/45/562738445.db2.gz	JQJVTGFOYVLQQW-FQEVSTJZSA-N	2	0	553.115	2.390	1	0		KEAFRP
COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCC[NH3+])c1	ZINC000084619903	562745396	/nfs/dbraw/zinc/74/53/96/562745396.db2.gz	PKYNIRJUEMAFDL-WWPVKYPJSA-N	3	0	515.703	2.010	1	0		KEAFRP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCCC[NH3+])c1	ZINC000084619905	562745390	/nfs/dbraw/zinc/74/53/90/562745390.db2.gz	PKYNIRJUEMAFDL-UEVCKROQSA-N	3	0	515.703	2.010	1	0		KEAFRP
COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1	ZINC000084636058	562746321	/nfs/dbraw/zinc/74/63/21/562746321.db2.gz	PKYNIRJUEMAFDL-VJBMBRPKSA-N	3	0	515.703	2.010	1	0		KEAFRP
COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1	ZINC000084636060	562746306	/nfs/dbraw/zinc/74/63/06/562746306.db2.gz	PKYNIRJUEMAFDL-OIBXWCBGSA-N	3	0	515.703	2.010	1	0		KEAFRP
CC(C)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O)[NH+](C)C	ZINC000084670859	562748395	/nfs/dbraw/zinc/74/83/95/562748395.db2.gz	ZLLXFXKKMDXGIZ-ZZTWKDBPSA-N	2	0	717.956	2.322	1	0		KEAFRP
CC[NH2+]CCOc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC[NH2+]C[C@H](C)O)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O	ZINC000085596643	560063348	/nfs/dbraw/zinc/06/33/48/560063348.db2.gz	UTMXDLWSRUPQIT-BNNWHSAXSA-N	2	0	578.703	2.224	1	0	biogenic,in-vitro	KEAFRP
CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1	ZINC000085596746	565156113	/nfs/dbraw/zinc/15/61/13/565156113.db2.gz	KOFSUFRMSBCISJ-ZUPNAIMFSA-N	2	0	621.816	2.220	1	0	biogenic,in-vitro	KEAFRP
CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CCCO)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1	ZINC000085596756	565155895	/nfs/dbraw/zinc/15/58/95/565155895.db2.gz	CUVFIMPOJVZRRF-JVQDXTLDSA-N	2	0	653.858	2.045	1	0	biogenic,in-vitro	KEAFRP
CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1	ZINC000085596764	291742651	/nfs/dbraw/zinc/74/26/51/291742651.db2.gz	SDJDCSBDAYWJKS-FDBNHUNCSA-N	2	0	563.736	2.222	1	0	biogenic,in-vitro	KEAFRP
CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2cc(OC3CC[NH2+]CC3)c(O)cc2CO)OC(C)=O)CC[C@H]1C	ZINC000085628104	560068691	/nfs/dbraw/zinc/06/86/91/560068691.db2.gz	FICUWBABKYFAOJ-TWGVXTRVSA-N	2	0	548.725	2.427	1	0	biogenic,in-vitro	KEAFRP
CC[C@H](CC[C@H](O)C[C@@H](CCc1cc(OC2CC[NH2+]CC2)c(O)cc1CO)OC(C)=O)CNC(=[NH2+])NC	ZINC000085628213	560068746	/nfs/dbraw/zinc/06/87/46/560068746.db2.gz	SOOVPGAYZYVDBO-WNOPAQSVSA-N	2	0	522.687	2.181	1	0	biogenic,in-vitro	KEAFRP
CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@@H]2CCN[C@H](C[NH2+]C)C2)c1)OC(C)=O)CNC(=[NH2+])NC	ZINC000085628231	560068742	/nfs/dbraw/zinc/06/87/42/560068742.db2.gz	SUVYMHUPKYQHQE-HSQNVRHTSA-N	2	0	535.730	2.276	1	0	biogenic,in-vitro	KEAFRP
COc1cc(CC[C@H](C[C@@H](O)[C@@H]2CC[C@@H]3C[N@H+]4C[C@@H]5C[C@@H](CN(C5)C[NH+]=C(N)NC[C@H]3C2)C4)OC(C)=O)ccc1O	ZINC000085628313	560068755	/nfs/dbraw/zinc/06/87/55/560068755.db2.gz	MOHMIBXSFQGSPM-BLPQFLIYSA-N	2	0	571.763	2.387	1	0	biogenic,in-vitro	KEAFRP
CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)CC[C@H]1CC[N@H+]2C[C@@H]3C[C@@H](CN(C3)C[NH+]=C(N)NC1)C2	ZINC000085639204	565166498	/nfs/dbraw/zinc/16/64/98/565166498.db2.gz	VMYDHDHEQJWRFU-NEOPOEGOSA-N	3	0	614.832	2.264	1	0	biogenic,in-vitro	KEAFRP
COc1cc(CC[C@H](C[C@@H](O)CC[C@H]2CC[N@H+]3C[C@@H]4C[C@@H](CN(C4)C[NH+]=C(N)NC2)C3)OC(C)=O)ccc1O	ZINC000085639221	560067507	/nfs/dbraw/zinc/06/75/07/560067507.db2.gz	BWURNWBZXUTJSW-HEXNFIEUSA-N	2	0	545.725	2.141	1	0	biogenic,in-vitro	KEAFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)c2cccc3c(Nc4ccccc4)cc(nc32)-c2ccc(cc2)C/C=C\C[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC1=O	ZINC000095539488	562755090	/nfs/dbraw/zinc/75/50/90/562755090.db2.gz	UUZIUIYEGYDQMR-GQKXFFRNSA-N	2	0	789.942	2.210	1	0		KEAFRP
Cn1cc(NC(=O)c2cc(NC(=O)c3cccc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000095539861	562755331	/nfs/dbraw/zinc/75/53/31/562755331.db2.gz	CVUPIHMZKZOBDG-UHFFFAOYSA-N	2	0	792.862	2.162	1	0		KEAFRP
Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)cc3)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000095539862	562755335	/nfs/dbraw/zinc/75/53/35/562755335.db2.gz	QRKKSJBMFTUTPR-UHFFFAOYSA-N	2	0	792.862	2.162	1	0		KEAFRP
Cn1cc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000095539867	562755317	/nfs/dbraw/zinc/75/53/17/562755317.db2.gz	MFTBSPOQAIZBAS-CLJLJLNGSA-N	2	0	798.910	2.041	1	0		KEAFRP
Cn1cc(NC(=O)c2cc(NC(=O)/C=C/C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC[NH+](C)C	ZINC000095546282	562758421	/nfs/dbraw/zinc/75/84/21/562758421.db2.gz	REWOHHJQBNXQPY-VAWYXSNFSA-N	2	0	772.912	2.042	1	0		KEAFRP
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1	ZINC000095547570	562758815	/nfs/dbraw/zinc/75/88/15/562758815.db2.gz	BIRJVHDPCIYZMQ-MGXDLYCJSA-N	2	0	802.974	2.428	1	0		KEAFRP
COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4C[C@@H](OC)[C@H](NS(C)(=O)=O)C[C@@]34CC[N@@H+]2C)c2c(c1O)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C[C@@H](OC)[C@H](NS(C)(=O)=O)C3	ZINC000095548721	562759432	/nfs/dbraw/zinc/75/94/32/562759432.db2.gz	KRGPXIQYFADPQS-TWHOAWRTSA-N	2	0	819.056	2.464	1	0		KEAFRP
Cn1cc(NC(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC[NH+](C)C	ZINC000095550453	562760204	/nfs/dbraw/zinc/76/02/04/562760204.db2.gz	NFFWDJNFFLCXBB-FQLXRVMXSA-N	2	0	786.939	2.122	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1	ZINC000095552412	562760611	/nfs/dbraw/zinc/76/06/11/562760611.db2.gz	IZYXKQNGMBFGAC-ZDCRTTOTSA-N	3	0	690.853	2.321	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])Cc1ccc(NC(N)=[NH2+])cc1)C(=O)NCc1ccccc1	ZINC000095554368	562761221	/nfs/dbraw/zinc/76/12/21/562761221.db2.gz	XQNOFWOWYTYVID-ZDCRTTOTSA-N	3	0	690.853	2.321	1	0		KEAFRP
CC(C)[C@H](NCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCCNC(N)=[NH2+]	ZINC000095590329	562775201	/nfs/dbraw/zinc/77/52/01/562775201.db2.gz	HXINISOMLWGIRS-BDYUSTAISA-N	2	0	551.736	2.144	1	0		KEAFRP
NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(O)cc1)NCC(=O)c1ccc(-c2ccccc2)cc1	ZINC000095591374	562775592	/nfs/dbraw/zinc/77/55/92/562775592.db2.gz	XSDGLCKNIKSIDU-KYJUHHDHSA-N	2	0	615.779	2.436	1	0		KEAFRP
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc21)C1CCCCC1	ZINC000095593121	562776144	/nfs/dbraw/zinc/77/61/44/562776144.db2.gz	IGXOJMRPLSENQA-XXQBKKMUSA-N	2	0	537.705	2.169	1	0		KEAFRP
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CC[NH+]3CCN(CC3)CCC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095593581	562776296	/nfs/dbraw/zinc/77/62/96/562776296.db2.gz	VGPDGESAAIVXNO-QPPIDDCLSA-N	2	0	822.005	2.334	1	0		KEAFRP
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1	ZINC000095594587	562776502	/nfs/dbraw/zinc/77/65/02/562776502.db2.gz	MLZKFPXFMPNAJV-HXMYXVSTSA-N	2	0	561.674	2.220	1	0		KEAFRP
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CC[NH+]3CCN(CC3)CCC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095594779	562776551	/nfs/dbraw/zinc/77/65/51/562776551.db2.gz	MUPOOEYBTKHNTC-QPPIDDCLSA-N	2	0	822.005	2.334	1	0		KEAFRP
NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc21	ZINC000095594836	562776549	/nfs/dbraw/zinc/77/65/49/562776549.db2.gz	YCOKHAVJXYWKKF-NSJVFKKDSA-N	2	0	679.867	2.122	1	0		KEAFRP
NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc21	ZINC000095596373	562776957	/nfs/dbraw/zinc/77/69/57/562776957.db2.gz	FEZLLOGEGFNFBX-NSJVFKKDSA-N	2	0	679.867	2.122	1	0		KEAFRP
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CC[NH+](CC3)CCC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095596485	562776981	/nfs/dbraw/zinc/77/69/81/562776981.db2.gz	DOEPKHLCEFPBEX-QPPIDDCLSA-N	2	0	822.005	2.334	1	0		KEAFRP
COc1ccc(OC)c(CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc2cc(OC)ccc2OC)c1	ZINC000095596591	562777036	/nfs/dbraw/zinc/77/70/36/562777036.db2.gz	JMPPLYYUCNYFGS-UHFFFAOYSA-N	2	0	558.720	2.478	1	0		KEAFRP
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1	ZINC000095598380	562777418	/nfs/dbraw/zinc/77/74/18/562777418.db2.gz	MLZKFPXFMPNAJV-IMZPRDNVSA-N	2	0	561.674	2.220	1	0		KEAFRP
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)/C=C/c1ccccc1	ZINC000095613167	562786106	/nfs/dbraw/zinc/78/61/06/562786106.db2.gz	NMSWWDFWKNICEZ-KKMAHMFRSA-N	2	0	747.901	2.050	1	0		KEAFRP
CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1	ZINC000095616671	562787879	/nfs/dbraw/zinc/78/78/79/562787879.db2.gz	CYBHHZKAFLKHFE-BVPJJHLOSA-N	2	0	784.963	2.300	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1	ZINC000096175783	562792006	/nfs/dbraw/zinc/79/20/06/562792006.db2.gz	YXXOMQLSCCTIBA-RUZDIDTESA-N	2	0	549.701	2.092	1	0		KEAFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCC[NH3+])cc1	ZINC000096286228	562796084	/nfs/dbraw/zinc/79/60/84/562796084.db2.gz	PCDFVAIZZVSMBD-MUUNZHRXSA-N	2	0	600.768	2.421	1	0		KEAFRP
NC(=[NH2+])N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000096299285	562796171	/nfs/dbraw/zinc/79/61/71/562796171.db2.gz	SJJIMQDQSSJWDN-RUCLRZJRSA-N	2	0	649.748	2.308	1	0		KEAFRP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CC[NH+](C)C)C1=O	ZINC000096903802	562798042	/nfs/dbraw/zinc/79/80/42/562798042.db2.gz	XHTANTIBUJVBIZ-PKTNWEFCSA-N	2	0	547.675	2.197	1	0		KEAFRP
CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(c3ccc(C)cc3)C2=O)cc1)C(N)=O	ZINC000096937967	562804407	/nfs/dbraw/zinc/80/44/07/562804407.db2.gz	FHGKZPQKIGPKFQ-KWGJCFFGSA-N	2	0	735.912	2.372	1	0		KEAFRP
CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(N)=O	ZINC000096937968	562804408	/nfs/dbraw/zinc/80/44/08/562804408.db2.gz	VGTSURSLRBIKHJ-KWGJCFFGSA-N	2	0	735.912	2.059	1	0		KEAFRP
CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1)C(N)=O	ZINC000096937969	562804406	/nfs/dbraw/zinc/80/44/06/562804406.db2.gz	XNYXTKYZDRNHDM-TZBNLSNDSA-N	2	0	749.939	2.367	1	0		KEAFRP
CCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(N)=O	ZINC000096938342	562804459	/nfs/dbraw/zinc/80/44/59/562804459.db2.gz	FPPGCUBTTKLBBK-KWGJCFFGSA-N	2	0	735.912	2.059	1	0		KEAFRP
CCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096938343	562804482	/nfs/dbraw/zinc/80/44/82/562804482.db2.gz	AISATUVYMYACBS-KWGJCFFGSA-N	2	0	735.912	2.059	1	0		KEAFRP
CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(C3CCCCC3)C2=O)cc1)C(N)=O	ZINC000096938508	562804525	/nfs/dbraw/zinc/80/45/25/562804525.db2.gz	GLRPANVQMBJWSA-GWPRTIGVSA-N	2	0	727.933	2.191	1	0		KEAFRP
CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccc(F)cc3F)cc2C[NH2+]CCN2CC[NH+](C)CC2)cc1	ZINC000096938556	562804505	/nfs/dbraw/zinc/80/45/05/562804505.db2.gz	XQBVUYBGDWZFCM-UHFFFAOYSA-N	2	0	518.634	2.405	1	0		KEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000096941682	562805021	/nfs/dbraw/zinc/80/50/21/562805021.db2.gz	IHZHXWXPFPRICT-XGKFQTDJSA-N	3	0	628.818	2.132	1	0		KEAFRP
CC[C@H]([NH2+]C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1	ZINC000098208138	562805976	/nfs/dbraw/zinc/80/59/76/562805976.db2.gz	MPXBKLQSQUXEDB-DPURIWRLSA-N	2	0	539.721	2.365	1	0	in-vitro	KEAFRP
O=C1NC(=O)C(c2nn(CCC[NH+]3CCOCC3)c3ncccc23)=C1c1cn(CCC[NH+]2CCOCC2)c2ccccc12	ZINC000103233905	562818563	/nfs/dbraw/zinc/81/85/63/562818563.db2.gz	JDXHICGJWBQDKQ-UHFFFAOYSA-N	2	0	583.693	2.398	1	0		KEAFRP
NC(=[NH2+])c1ccc(Oc2ccc(C(=O)NC3CCN(C(=O)CC[NH3+])CC3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1	ZINC000103238119	562819143	/nfs/dbraw/zinc/81/91/43/562819143.db2.gz	RKMSOKDZVVQBKW-UHFFFAOYSA-N	3	0	544.616	2.304	1	0		KEAFRP
CC(C)(C)c1ccc(-c2ncc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH]2)cc1	ZINC000103297970	562824739	/nfs/dbraw/zinc/82/47/39/562824739.db2.gz	XDSSOYNBZPHJKC-ZEQRLZLVSA-N	2	0	532.693	2.308	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc(-c2cccc3ccccc32)[nH]1)C(=O)NCc1ccccc1	ZINC000103297975	562824675	/nfs/dbraw/zinc/82/46/75/562824675.db2.gz	SBWJNBZDILTZNB-DQEYMECFSA-N	2	0	526.645	2.164	1	0		KEAFRP
CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]5[NH2+]CCC[C@@H]54)C[C@]32[C@H](C)CC1	ZINC000103524387	560051263	/nfs/dbraw/zinc/05/12/63/560051263.db2.gz	YMWDYMGHEKIBTO-AZJGSSTMSA-N	2	0	585.790	2.044	1	0	biogenic,in-vitro	KEAFRP
CNC(=[NH2+])N1C=C[C@]2(C[NH2+]CCO)CC[C@@H]3[C@](O)(CO[C@H]4CCC[C@@H]([NH2+]C)C4)C(C(=O)[O-])=C4C[C@H]5CC[C@@H](C)[C@]43[C@]52C1	ZINC000103524408	560051295	/nfs/dbraw/zinc/05/12/95/560051295.db2.gz	NUAUBUUKQHYPQE-ATGBIOSDSA-N	2	0	585.790	2.044	1	0	biogenic,in-vitro	KEAFRP
C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCCC4)C[C@]32[C@H](C)CC1	ZINC000103524591	560051234	/nfs/dbraw/zinc/05/12/34/560051234.db2.gz	JVUKQSKFTDIBFG-ISCDSABESA-N	2	0	573.779	2.045	1	0	biogenic,in-vitro	KEAFRP
COc1ccc2ncc(F)c(C[C@@H]([NH3+])C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149099338	562842098	/nfs/dbraw/zinc/84/20/98/562842098.db2.gz	FZUPRLOBRQXBKP-LSCLNCKRSA-N	2	0	508.554	2.245	1	0		KEAFRP
COc1ccc2ncc(F)c(C[C@H]([NH3+])C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149099530	562842112	/nfs/dbraw/zinc/84/21/12/562842112.db2.gz	FZUPRLOBRQXBKP-WOEOTAOXSA-N	2	0	508.554	2.245	1	0		KEAFRP
[NH3+][C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149151641	562842239	/nfs/dbraw/zinc/84/22/39/562842239.db2.gz	RAACSHYFBZCXSM-PSIJGNRBSA-N	2	0	564.618	2.404	1	0		KEAFRP
[NH3+][C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149153864	562842269	/nfs/dbraw/zinc/84/22/69/562842269.db2.gz	RAACSHYFBZCXSM-AUHLQLFFSA-N	2	0	564.618	2.404	1	0		KEAFRP
[NH3+][C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149243959	562842563	/nfs/dbraw/zinc/84/25/63/562842563.db2.gz	RAACSHYFBZCXSM-NZFVVWBWSA-N	2	0	564.618	2.404	1	0		KEAFRP
[NH3+][C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149349219	562842633	/nfs/dbraw/zinc/84/26/33/562842633.db2.gz	RAACSHYFBZCXSM-LDMUXNMWSA-N	2	0	564.618	2.404	1	0		KEAFRP
O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)cc2)C1)N1CCN(c2ncccn2)CC1	ZINC000150523952	562843675	/nfs/dbraw/zinc/84/36/75/562843675.db2.gz	VBXLHCSMBGMAME-MEKGRNQZSA-N	2	0	652.848	2.388	1	0		KEAFRP
O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)cc2)C1)N1CCN(c2ncccn2)CC1	ZINC000150523956	562843679	/nfs/dbraw/zinc/84/36/79/562843679.db2.gz	VBXLHCSMBGMAME-ACHIHNKUSA-N	2	0	652.848	2.388	1	0		KEAFRP
O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)cc2)C1)N1CCN(c2ncccn2)CC1	ZINC000169318868	562856126	/nfs/dbraw/zinc/85/61/26/562856126.db2.gz	VBXLHCSMBGMAME-ROJLCIKYSA-N	2	0	652.848	2.388	1	0		KEAFRP
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC[NH3+])C(N)=O	ZINC000169319179	562856190	/nfs/dbraw/zinc/85/61/90/562856190.db2.gz	AAWTTXKKNWSFMP-UUMRZIGESA-N	2	0	785.922	2.098	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(CCNC(=O)NC3CCCCC3)CC2)c1	ZINC000169323450	562857055	/nfs/dbraw/zinc/85/70/55/562857055.db2.gz	ZJAIGKFWWFYSIY-LJAQVGFWSA-N	2	0	668.865	2.408	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(CCNC(=O)NCc3ccccc3)CC2)c1	ZINC000169323456	562857053	/nfs/dbraw/zinc/85/70/53/562857053.db2.gz	MSPLGPWDOPYNDZ-PMERELPUSA-N	2	0	676.844	2.276	1	0		KEAFRP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCCO)[C@@H]1O)[C@@H]32	ZINC000169330924	562858820	/nfs/dbraw/zinc/85/88/20/562858820.db2.gz	AJUBQFITBGMEDN-ICJOCJBCSA-N	2	0	797.994	2.356	1	0		KEAFRP
N=C1NC([C@]2(N)CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)=N[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5	ZINC000169369267	562864680	/nfs/dbraw/zinc/86/46/80/562864680.db2.gz	UPCDLAYRPHHNOB-UCIDPRHPSA-N	2	0	734.898	2.132	1	0		KEAFRP
CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1	ZINC000169697457	562866420	/nfs/dbraw/zinc/86/64/20/562866420.db2.gz	XATHBXYKVIAZOR-AJQTZOPKSA-N	2	0	681.904	2.378	1	0		KEAFRP
NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCC2CC[NH2+]CC2)NS(=O)(=O)Cc2ccccc2)cc1	ZINC000169697462	562866483	/nfs/dbraw/zinc/86/64/83/562866483.db2.gz	ZTJVQQCXGUIYTL-XZWHSSHBSA-N	3	0	639.867	2.119	1	0		KEAFRP
COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1	ZINC000169697463	562866478	/nfs/dbraw/zinc/86/64/78/562866478.db2.gz	DTIUMOLBWQXRPH-AJQTZOPKSA-N	2	0	711.930	2.005	1	0		KEAFRP
NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1	ZINC000169697464	562866480	/nfs/dbraw/zinc/86/64/80/562866480.db2.gz	ZYKYKDNQGMXJQR-XZWHSSHBSA-N	2	0	633.819	2.367	1	0		KEAFRP
CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CC[NH2+]CC2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1	ZINC000169697466	562866453	/nfs/dbraw/zinc/86/64/53/562866453.db2.gz	OGCGKERBEQPTBU-IOWSJCHKSA-N	2	0	696.919	2.171	1	0		KEAFRP
[NH3+][C@@H]1COC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000205828306	562875954	/nfs/dbraw/zinc/87/59/54/562875954.db2.gz	HELKSLAMYBXCSD-AUHLQLFFSA-N	2	0	564.618	2.404	1	0		KEAFRP
[NH3+][C@H]1COC[C@@H]1Oc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000206093679	562876218	/nfs/dbraw/zinc/87/62/18/562876218.db2.gz	HELKSLAMYBXCSD-PSIJGNRBSA-N	2	0	564.618	2.404	1	0		KEAFRP
CCc1cccc2c1N(C)Cc1cc(OCc3cn(CC[NH3+])nn3)c(OCc3cn(CC[NH3+])nn3)cc1-2	ZINC000206701997	562876515	/nfs/dbraw/zinc/87/65/15/562876515.db2.gz	JGXQSQIJGUPADE-UHFFFAOYSA-N	2	0	503.611	2.124	1	0		KEAFRP
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5	ZINC000221211275	562878851	/nfs/dbraw/zinc/87/88/51/562878851.db2.gz	RIFJSRCAHFYBAU-WNOCNRGZSA-N	2	0	533.673	2.026	1	0		KEAFRP
C[C@@H](CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3)OC(=O)[C@@H](N)CCCC[NH3+]	ZINC000222573504	562879846	/nfs/dbraw/zinc/87/98/46/562879846.db2.gz	LINMWRMCHYVPQQ-WDZPDFRVSA-N	2	0	630.117	2.471	1	0		KEAFRP
NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCCC[NH3+])CC4)CCC3)CC2)cc1	ZINC000253634276	562882186	/nfs/dbraw/zinc/88/21/86/562882186.db2.gz	MBMPSQUPSWCBFW-MKPDMIMOSA-N	2	0	672.832	2.250	1	0		KEAFRP
O=C(NCc1cn(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)nn1)c1cccc(C(=O)NCc2cn(-c3ccc(NC(=O)[C@@H]4CCC[NH2+]4)cc3)nn2)c1	ZINC000299823918	562883081	/nfs/dbraw/zinc/88/30/81/562883081.db2.gz	BVNZFBBKUSGUBK-ACHIHNKUSA-N	2	0	702.780	2.089	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(C3CCCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000299824602	562883317	/nfs/dbraw/zinc/88/33/17/562883317.db2.gz	WFWBQNWYJCXGNE-BVMIELBKSA-N	2	0	759.934	2.080	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(C3CCCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000299824611	562883298	/nfs/dbraw/zinc/88/32/98/562883298.db2.gz	WFWBQNWYJCXGNE-MHBJSBBXSA-N	2	0	759.934	2.080	1	0		KEAFRP
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000299829852	562885015	/nfs/dbraw/zinc/88/50/15/562885015.db2.gz	IBLAVZWCQYPXLH-RLAGABBFSA-N	2	0	716.865	2.077	1	0		KEAFRP
CCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)C(=O)N12	ZINC000299839630	562888266	/nfs/dbraw/zinc/88/82/66/562888266.db2.gz	ZAAPJBFJCDPTGV-XAPPUPLOSA-N	2	0	630.764	2.432	1	0		KEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(Cc2ccccc2)CC(C)C)C1=O	ZINC000299861068	562893110	/nfs/dbraw/zinc/89/31/10/562893110.db2.gz	HQVRNLIDCXUVHE-XFQWPLCWSA-N	2	0	726.923	2.381	1	0		KEAFRP
CC(C)(C)CCN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000473096877	562897897	/nfs/dbraw/zinc/89/78/97/562897897.db2.gz	CGGZYDLXCRQLER-DHEQBGBRSA-N	2	0	749.939	2.477	1	0		KEAFRP
CC(C)(C)CN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000473109388	562898447	/nfs/dbraw/zinc/89/84/47/562898447.db2.gz	RGIONFXYMGVGKN-LTYLLROCSA-N	2	0	735.912	2.087	1	0		KEAFRP
CC(C)CCN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000473109499	562898489	/nfs/dbraw/zinc/89/84/89/562898489.db2.gz	SJWFLLALPAEONU-IZSHNOSSSA-N	2	0	735.912	2.087	1	0		KEAFRP
NC(=[NH2+])c1ccc(C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1	ZINC000473146773	562901366	/nfs/dbraw/zinc/90/13/66/562901366.db2.gz	DGQCZOGJXKOYFC-GSDHBNRESA-N	2	0	639.679	2.287	1	0		KEAFRP
NC(=[NH2+])c1cccc(C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)c1	ZINC000473149639	562901545	/nfs/dbraw/zinc/90/15/45/562901545.db2.gz	JTKWWLDHTHCBLP-GSDHBNRESA-N	2	0	639.679	2.287	1	0		KEAFRP
CC(=[NH2+])Nc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1	ZINC000473159855	562902776	/nfs/dbraw/zinc/90/27/76/562902776.db2.gz	XVRQXJHRMZQMPS-KCHLEUMXSA-N	2	0	585.709	2.393	1	0		KEAFRP
CN1CC[NH+](CCCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]34)CC1	ZINC000474604645	562905291	/nfs/dbraw/zinc/90/52/91/562905291.db2.gz	DKZVZCLTGLJNBN-FDBFMKMFSA-N	2	0	552.807	2.371	1	0		KEAFRP
CCC(CC)N1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000474606828	562905363	/nfs/dbraw/zinc/90/53/63/562905363.db2.gz	HXTPRGUTGHEWGQ-IZSHNOSSSA-N	2	0	735.912	2.230	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(CC3CCCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1	ZINC000474608458	562905498	/nfs/dbraw/zinc/90/54/98/562905498.db2.gz	MBODIHYLROCLCP-MHUSHDLBSA-N	2	0	747.923	2.231	1	0		KEAFRP
CCC(CC)CN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O	ZINC000474609337	562905561	/nfs/dbraw/zinc/90/55/61/562905561.db2.gz	PPHXDJLWHBRHDV-MHUSHDLBSA-N	2	0	749.939	2.477	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(C3CCCCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1	ZINC000474609890	562905750	/nfs/dbraw/zinc/90/57/50/562905750.db2.gz	WSQFVAMICDQMLQ-DZYHKGHFSA-N	2	0	747.923	2.374	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000653779551	562912040	/nfs/dbraw/zinc/91/20/40/562912040.db2.gz	UJAJSJPBDWTYEU-YTCPBCGMSA-N	2	0	723.673	2.346	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1sccc1-n1cccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1	ZINC000653779685	562912055	/nfs/dbraw/zinc/91/20/55/562912055.db2.gz	JNHHEPAFTQPZEK-TWLDFKIOSA-N	2	0	715.881	2.436	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000653780758	562912134	/nfs/dbraw/zinc/91/21/34/562912134.db2.gz	HOEKLSWOWDMGNX-YTCPBCGMSA-N	2	0	679.222	2.237	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2Cl)cc1	ZINC000653780764	562912113	/nfs/dbraw/zinc/91/21/13/562912113.db2.gz	IJKOKCAMMSZRFJ-YTCPBCGMSA-N	2	0	679.222	2.237	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000653784780	562912287	/nfs/dbraw/zinc/91/22/87/562912287.db2.gz	CCFCVTAHXGKCHY-YTCPBCGMSA-N	2	0	679.222	2.237	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1nccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000653784990	562912327	/nfs/dbraw/zinc/91/23/27/562912327.db2.gz	PGKADZNCSPZHPV-CCDWMCETSA-N	2	0	720.684	2.347	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1nccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000653792868	562912744	/nfs/dbraw/zinc/91/27/44/562912744.db2.gz	AKRJOEANBCUPHB-CCDWMCETSA-N	2	0	719.791	2.059	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000653792971	562912788	/nfs/dbraw/zinc/91/27/88/562912788.db2.gz	HTVDITAMNKZRFZ-OHSXHVKISA-N	2	0	729.702	2.408	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1sccc1Cl)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1	ZINC000653794126	562912887	/nfs/dbraw/zinc/91/28/87/562912887.db2.gz	VMCWBZHWTPEOBV-KKUQBAQOSA-N	2	0	685.251	2.299	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCC(=O)c2ccc(Br)cc2)cc1	ZINC000653794457	562912912	/nfs/dbraw/zinc/91/29/12/562912912.db2.gz	WJAVXCDDRSPYQA-PNIUZAESSA-N	2	0	757.712	2.091	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1	ZINC000653795266	562913011	/nfs/dbraw/zinc/91/30/11/562913011.db2.gz	OKILPUNCFMLXED-NLJOTIRTSA-N	2	0	685.251	2.299	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1	ZINC000653795646	562913051	/nfs/dbraw/zinc/91/30/51/562913051.db2.gz	NHEULVMCMRRFBM-YTCPBCGMSA-N	2	0	728.773	2.482	1	0		KEAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2Br)cc1	ZINC000653798406	562913248	/nfs/dbraw/zinc/91/32/48/562913248.db2.gz	NIEZAZIHXJWFNR-YTCPBCGMSA-N	2	0	723.673	2.346	1	0		KEAFRP
CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH2+]CC2)cc1	ZINC000653882846	562916863	/nfs/dbraw/zinc/91/68/63/562916863.db2.gz	HJHJTXDLUSVMRQ-HZFUHODCSA-N	2	0	652.866	2.010	1	0		KEAFRP
CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH2+]CC2)cc1	ZINC000653882847	562916846	/nfs/dbraw/zinc/91/68/46/562916846.db2.gz	HJHJTXDLUSVMRQ-KCHLEUMXSA-N	2	0	652.866	2.010	1	0		KEAFRP
CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH2+]CC2)cc1	ZINC000653882848	562916854	/nfs/dbraw/zinc/91/68/54/562916854.db2.gz	HJHJTXDLUSVMRQ-OZNIXHKMSA-N	2	0	652.866	2.010	1	0		KEAFRP
CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH2+]CC2)cc1	ZINC000653882849	562916872	/nfs/dbraw/zinc/91/68/72/562916872.db2.gz	HJHJTXDLUSVMRQ-PKTNWEFCSA-N	2	0	652.866	2.010	1	0		KEAFRP
CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH+](C)CC2)cc1	ZINC000653882884	562916885	/nfs/dbraw/zinc/91/68/85/562916885.db2.gz	RZAPXYCGYWBHRY-AWCRTANDSA-N	2	0	666.893	2.353	1	0		KEAFRP
CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH+](C)CC2)cc1	ZINC000653882885	562916887	/nfs/dbraw/zinc/91/68/87/562916887.db2.gz	RZAPXYCGYWBHRY-SSBOKUKZSA-N	2	0	666.893	2.353	1	0		KEAFRP
CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH+](C)CC2)cc1	ZINC000653882886	562916899	/nfs/dbraw/zinc/91/68/99/562916899.db2.gz	RZAPXYCGYWBHRY-ULNSLHSMSA-N	2	0	666.893	2.353	1	0		KEAFRP
CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CC[NH+](C)CC2)cc1	ZINC000653882887	562916901	/nfs/dbraw/zinc/91/69/01/562916901.db2.gz	RZAPXYCGYWBHRY-YTCPBCGMSA-N	2	0	666.893	2.353	1	0		KEAFRP
CCC[N@@H+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885924	562916962	/nfs/dbraw/zinc/91/69/62/562916962.db2.gz	ASFDWCMXZHPPAH-IQAPJIGKSA-N	2	0	711.978	2.160	1	0		KEAFRP
CCC[N@@H+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885925	562916941	/nfs/dbraw/zinc/91/69/41/562916941.db2.gz	ASFDWCMXZHPPAH-NFRMDYDPSA-N	2	0	711.978	2.160	1	0		KEAFRP
CCC[N@@H+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885926	562916959	/nfs/dbraw/zinc/91/69/59/562916959.db2.gz	ASFDWCMXZHPPAH-OVOJMXFRSA-N	2	0	711.978	2.160	1	0		KEAFRP
CCC[N@@H+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885927	562916928	/nfs/dbraw/zinc/91/69/28/562916928.db2.gz	ASFDWCMXZHPPAH-YMULXSAJSA-N	2	0	711.978	2.160	1	0		KEAFRP