smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)nc2c1c(=O)n(CC(=O)c1ccccc1OCC(=O)NC)c(=O)n2C	ZINC000003838242	561683752	/nfs/dbraw/zinc/68/37/52/561683752.db2.gz	LDBVZECKRQSPDM-QGZVFWFLSA-N	1	0	521.578	-0.145	1	30		KBEFRO
NC(=[NH2+])N1CCC[C@@H](C[C@@H](C=O)NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1	ZINC000003943047	561689560	/nfs/dbraw/zinc/68/95/60/561689560.db2.gz	DATYERRDSFNBDN-UFYCRDLUSA-N	1	0	506.629	-0.224	1	30	in-vitro	KBEFRO
CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3ncn4CCC[NH2+]C)CS[C@H]12)c1nsc(N)n1	ZINC000003965107	561691402	/nfs/dbraw/zinc/69/14/02/561691402.db2.gz	VKTLYVPIGSSRFK-CEERYBPPSA-O	1	0	601.695	-0.454	1	30	investigational	KBEFRO
CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)C(=O)[C@@H]1Cc1ccccc1	ZINC000003972989	561691703	/nfs/dbraw/zinc/69/17/03/561691703.db2.gz	DHJRGLZHLQHNCV-ROUUACIJSA-N	1	0	549.679	-0.421	1	30		KBEFRO
COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(N)=[NH2+]	ZINC000013579769	561719941	/nfs/dbraw/zinc/71/99/41/561719941.db2.gz	IAIDIPODDXKNFK-RTWAWAEBSA-N	1	0	506.563	-0.690	1	30		KBEFRO
CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000013760079	561727519	/nfs/dbraw/zinc/72/75/19/561727519.db2.gz	ICMSWQUELAGTTR-FHWLQOOXSA-N	1	0	510.636	-0.021	1	30		KBEFRO
NC(=[NH2+])N1CCC[C@H](C[C@@H](C=O)NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1	ZINC000013760081	561727685	/nfs/dbraw/zinc/72/76/85/561727685.db2.gz	DATYERRDSFNBDN-AABGKKOBSA-N	1	0	506.629	-0.224	1	30	in-vitro	KBEFRO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026182401	561771972	/nfs/dbraw/zinc/77/19/72/561771972.db2.gz	LUCUFURZWPZEOH-RBZQAINGSA-N	1	0	548.648	-0.034	1	30		KBEFRO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026247632	561773606	/nfs/dbraw/zinc/77/36/06/561773606.db2.gz	LUCUFURZWPZEOH-TZRRMPRUSA-N	1	0	548.648	-0.034	1	30		KBEFRO
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(N)=O	ZINC000026250130	561773915	/nfs/dbraw/zinc/77/39/15/561773915.db2.gz	DFCJPPDAOZROBS-CRNKYVSFSA-N	1	0	685.790	-0.583	1	30		KBEFRO
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(N)=O	ZINC000026253811	561774520	/nfs/dbraw/zinc/77/45/20/561774520.db2.gz	DFCJPPDAOZROBS-AUAHOFGGSA-N	1	0	685.790	-0.583	1	30		KBEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026255260	561774663	/nfs/dbraw/zinc/77/46/63/561774663.db2.gz	LUCUFURZWPZEOH-VXNXHJTFSA-N	1	0	548.648	-0.034	1	30		KBEFRO
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(N)=O	ZINC000026257413	561774969	/nfs/dbraw/zinc/77/49/69/561774969.db2.gz	DNBYSEDDZQXTBA-NHKCCNDQSA-N	1	0	701.961	-0.534	1	30		KBEFRO
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)NCCO	ZINC000026257774	561775176	/nfs/dbraw/zinc/77/51/76/561775176.db2.gz	LOIVZWAZQUGKRO-REVLRCOSSA-N	1	0	746.014	-0.911	1	30		KBEFRO
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026260947	561775657	/nfs/dbraw/zinc/77/56/57/561775657.db2.gz	LUCUFURZWPZEOH-WXFUMESZSA-N	1	0	548.648	-0.034	1	30		KBEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026261154	561775581	/nfs/dbraw/zinc/77/55/81/561775581.db2.gz	LUCUFURZWPZEOH-SMIHKQSGSA-N	1	0	548.648	-0.034	1	30		KBEFRO
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(N)=O	ZINC000026271234	561777270	/nfs/dbraw/zinc/77/72/70/561777270.db2.gz	BUWZTCFYSBAKCO-KNTRFNDTSA-N	1	0	570.761	-0.772	1	30		KBEFRO
CCOC(=O)CNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026385527	561784256	/nfs/dbraw/zinc/78/42/56/561784256.db2.gz	FQIQOFWMYZLIQG-RPWUZVMVSA-N	1	0	665.814	-0.310	1	30		KBEFRO
CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1	ZINC000026389196	561785329	/nfs/dbraw/zinc/78/53/29/561785329.db2.gz	RYVSUTWQVTWKNM-IHLOFXLRSA-N	1	0	734.880	-0.242	1	30		KBEFRO
CC[NH+](CC)[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-]	ZINC000026468457	561790093	/nfs/dbraw/zinc/79/00/93/561790093.db2.gz	IQXZEGTVJFHNQF-XLIKFSOKSA-N	1	0	717.913	-0.016	1	30		KBEFRO
CCCC[C@H](CC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C	ZINC000026475413	561790949	/nfs/dbraw/zinc/79/09/49/561790949.db2.gz	NDWVFLXWVSZNCY-SQSAXNKISA-N	1	0	646.790	-0.554	1	30		KBEFRO
CC(C)[C@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026480517	561791665	/nfs/dbraw/zinc/79/16/65/561791665.db2.gz	RHYNZTKBHGOJHV-KEOOTSPTSA-N	1	0	676.816	-0.674	1	30		KBEFRO
CC(C)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CCCC[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026482694	561792017	/nfs/dbraw/zinc/79/20/17/561792017.db2.gz	RHYNZTKBHGOJHV-ABZQKAAASA-N	1	0	676.816	-0.674	1	30		KBEFRO
CC(C)[C@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CCCC[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026482702	561792028	/nfs/dbraw/zinc/79/20/28/561792028.db2.gz	RHYNZTKBHGOJHV-KFEALIJWSA-N	1	0	676.816	-0.674	1	30		KBEFRO
CC(C)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026482707	561792031	/nfs/dbraw/zinc/79/20/31/561792031.db2.gz	RHYNZTKBHGOJHV-RYWAYVEBSA-N	1	0	676.816	-0.674	1	30		KBEFRO
CC[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-]	ZINC000026490405	561793137	/nfs/dbraw/zinc/79/31/37/561793137.db2.gz	LKMYZRXEBLGGQT-LROMGURASA-N	1	0	689.859	-0.748	1	30		KBEFRO
CCC(=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	ZINC000026577614	561801873	/nfs/dbraw/zinc/80/18/73/561801873.db2.gz	RLWOSGQNOKLOKP-DZUOILHNSA-N	1	0	699.817	-0.193	1	30		KBEFRO
CSCC(=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	ZINC000026578263	561802861	/nfs/dbraw/zinc/80/28/61/561802861.db2.gz	VDEUVZJQPRWULE-DZUOILHNSA-N	1	0	731.884	-0.240	1	30		KBEFRO
COCC(=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	ZINC000026579180	561804283	/nfs/dbraw/zinc/80/42/83/561804283.db2.gz	SOPYHFQNBMKJEU-DZUOILHNSA-N	1	0	715.816	-0.957	1	30		KBEFRO
N#CCC(=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	ZINC000026579248	561804325	/nfs/dbraw/zinc/80/43/25/561804325.db2.gz	ZDRWLGHFJFKMFH-DZUOILHNSA-N	1	0	710.800	-0.480	1	30		KBEFRO
CC(=O)N[C@@H](C)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	ZINC000026665294	561811014	/nfs/dbraw/zinc/81/10/14/561811014.db2.gz	RGORAYVOQFUNIL-YCYYUTJKSA-N	1	0	619.727	-0.529	1	30		KBEFRO
CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026670033	561812214	/nfs/dbraw/zinc/81/22/14/561812214.db2.gz	NSISWBCOSAKMBT-BPXGVECKSA-N	1	0	645.765	-0.043	1	30		KBEFRO
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(N)=O	ZINC000026673289	561812980	/nfs/dbraw/zinc/81/29/80/561812980.db2.gz	DFCJPPDAOZROBS-QUAHOIDUSA-N	1	0	685.790	-0.583	1	30		KBEFRO
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(N)=O	ZINC000026732546	561816876	/nfs/dbraw/zinc/81/68/76/561816876.db2.gz	BRRKSUIUCJAWRV-MGKKLRQFSA-N	1	0	596.733	-0.054	1	30		KBEFRO
CO[C@@H]1C[C@@H]2C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)C(=O)NCCCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1	ZINC000026747831	561819187	/nfs/dbraw/zinc/81/91/87/561819187.db2.gz	IGXJLPNIFVQHJD-JLLPCOHGSA-N	1	0	599.733	-0.092	1	30		KBEFRO
CO[C@H]1C[C@@H]2C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)C(=O)NCCCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1	ZINC000026747836	561819155	/nfs/dbraw/zinc/81/91/55/561819155.db2.gz	IGXJLPNIFVQHJD-UARRHKHWSA-N	1	0	599.733	-0.092	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1	ZINC000026824339	561821689	/nfs/dbraw/zinc/82/16/89/561821689.db2.gz	MXPMNTOAZLMXKC-MRLKSMNNSA-N	1	0	711.828	-0.267	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@]1(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1	ZINC000026824345	561821732	/nfs/dbraw/zinc/82/17/32/561821732.db2.gz	MXPMNTOAZLMXKC-VUXROXARSA-N	1	0	711.828	-0.267	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1	ZINC000026826013	561822023	/nfs/dbraw/zinc/82/20/23/561822023.db2.gz	YXCLDFLLWJXJPD-LAJGZZDBSA-N	1	0	671.763	-0.453	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1	ZINC000026826413	561821965	/nfs/dbraw/zinc/82/19/65/561821965.db2.gz	YXCLDFLLWJXJPD-LJWNLINESA-N	1	0	671.763	-0.453	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026826871	561822095	/nfs/dbraw/zinc/82/20/95/561822095.db2.gz	KFJXIWLXGNVXSU-XJYHXZFBSA-N	1	0	699.817	-0.193	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026827285	561822291	/nfs/dbraw/zinc/82/22/91/561822291.db2.gz	KFJXIWLXGNVXSU-KRCBVYEFSA-N	1	0	699.817	-0.193	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026828752	561822497	/nfs/dbraw/zinc/82/24/97/561822497.db2.gz	LUHDZKBXWWFQLS-ORYMTKCHSA-N	1	0	724.827	-0.102	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026829515	561822715	/nfs/dbraw/zinc/82/27/15/561822715.db2.gz	DOONUQVQAZPUIE-GCXHJFECSA-N	1	0	697.801	-0.357	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026829520	561822722	/nfs/dbraw/zinc/82/27/22/561822722.db2.gz	DOONUQVQAZPUIE-KRCBVYEFSA-N	1	0	697.801	-0.357	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026830634	561822819	/nfs/dbraw/zinc/82/28/19/561822819.db2.gz	FGCBZBMPOFJXID-DZUOILHNSA-N	1	0	701.789	-0.878	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026831561	561823060	/nfs/dbraw/zinc/82/30/60/561823060.db2.gz	LUHDZKBXWWFQLS-MBEDZMRZSA-N	1	0	724.827	-0.102	1	30		KBEFRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])[C@@H](C)O)c1ccccc1	ZINC000026850419	561827155	/nfs/dbraw/zinc/82/71/55/561827155.db2.gz	WXXAUJIUKUOZLV-AAEGSUEWSA-N	1	0	585.618	-0.428	1	30		KBEFRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])[C@H](C)O)c1ccccc1	ZINC000026850424	561827131	/nfs/dbraw/zinc/82/71/31/561827131.db2.gz	WXXAUJIUKUOZLV-NQCBNZPSSA-N	1	0	585.618	-0.428	1	30		KBEFRO
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)c1ccccc1	ZINC000026940094	561828104	/nfs/dbraw/zinc/82/81/04/561828104.db2.gz	BKDINPOKIILOQU-QSABTFIQSA-N	1	0	557.608	-0.609	1	30		KBEFRO
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)c1ccccc1	ZINC000026940101	561828118	/nfs/dbraw/zinc/82/81/18/561828118.db2.gz	BKDINPOKIILOQU-GCUYEVCFSA-N	1	0	557.608	-0.609	1	30		KBEFRO
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)C1CCCCC1	ZINC000026957474	561829364	/nfs/dbraw/zinc/82/93/64/561829364.db2.gz	AYSCCJSVWJNOID-QSABTFIQSA-N	1	0	563.656	-0.401	1	30		KBEFRO
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)C1CCCCC1	ZINC000026957477	561829359	/nfs/dbraw/zinc/82/93/59/561829359.db2.gz	AYSCCJSVWJNOID-GCUYEVCFSA-N	1	0	563.656	-0.401	1	30		KBEFRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])[C@@H](C)O)C1CCCCC1	ZINC000026957501	561829379	/nfs/dbraw/zinc/82/93/79/561829379.db2.gz	QWZXKZMZIFAKJQ-AAEGSUEWSA-N	1	0	591.666	-0.221	1	30		KBEFRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCNC(N)=[NH2+])[C@H](C)O)C1CCCCC1	ZINC000026957507	561829320	/nfs/dbraw/zinc/82/93/20/561829320.db2.gz	QWZXKZMZIFAKJQ-NQCBNZPSSA-N	1	0	591.666	-0.221	1	30		KBEFRO
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](Cc2ccccc2)C(=O)N1	ZINC000027092064	561837420	/nfs/dbraw/zinc/83/74/20/561837420.db2.gz	QSSDCIXVHHYFJM-VIICAESSSA-N	1	0	698.741	-0.816	1	30		KBEFRO
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC1=O	ZINC000027109522	561841017	/nfs/dbraw/zinc/84/10/17/561841017.db2.gz	WSAWWEWMBNPBBB-LDVJMBRRSA-N	1	0	586.738	-0.556	1	30		KBEFRO
CC(=O)N[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(N)=O	ZINC000027413436	561856842	/nfs/dbraw/zinc/85/68/42/561856842.db2.gz	JRIFENWCWLWZAE-ZJZGAYNASA-N	1	0	588.754	-0.181	1	30		KBEFRO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000027420443	561857567	/nfs/dbraw/zinc/85/75/67/561857567.db2.gz	AUEXNXKFEOEMSY-MLCQCVOFSA-N	1	0	620.752	-0.937	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1	ZINC000027518271	561862165	/nfs/dbraw/zinc/86/21/65/561862165.db2.gz	QCHDRYZBPCQQEM-AWCRTANDSA-N	1	0	685.790	-0.282	1	30		KBEFRO
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(CCc1c[nH]c2ccccc12)CC(N)=O	ZINC000027518830	561862648	/nfs/dbraw/zinc/86/26/48/561862648.db2.gz	DNTXCPMOMVOUSI-DTXPUJKBSA-N	1	0	699.817	-0.239	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(N)=[NH2+])CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000027522728	561864623	/nfs/dbraw/zinc/86/46/23/561864623.db2.gz	OJCGTUCBGQEMMX-AWCRTANDSA-N	1	0	685.790	-0.629	1	30		KBEFRO
CC(=O)N(CCc1c[nH]cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000027522922	561864596	/nfs/dbraw/zinc/86/45/96/561864596.db2.gz	LQSYLOZZPPJYIZ-DTXPUJKBSA-N	1	0	699.817	-0.239	1	30		KBEFRO
NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2ccccc2c1	ZINC000027550701	561867892	/nfs/dbraw/zinc/86/78/92/561867892.db2.gz	DMDYTFDRSYGVPY-SFTDATJTSA-N	1	0	545.666	-0.087	1	30		KBEFRO
NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2ccccc2c1	ZINC000027551404	561868076	/nfs/dbraw/zinc/86/80/76/561868076.db2.gz	DMDYTFDRSYGVPY-RTWAWAEBSA-N	1	0	545.666	-0.087	1	30		KBEFRO
C[NH2+][C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000027557874	561869987	/nfs/dbraw/zinc/86/99/87/561869987.db2.gz	VPDOHDAYWHEQCD-IMNFJDCFSA-N	1	0	583.690	-0.280	1	30		KBEFRO
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1	ZINC000027559813	561870516	/nfs/dbraw/zinc/87/05/16/561870516.db2.gz	XAXBWFXWCDCPOD-ZMVGRULKSA-N	1	0	569.663	-0.541	1	30		KBEFRO
NS(=O)(=O)CC[C@H]([NH3+])[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1	ZINC000027560711	561870612	/nfs/dbraw/zinc/87/06/12/561870612.db2.gz	SOAVLPMWJJWLGT-NEWJYFPISA-N	1	0	617.754	-0.509	1	30		KBEFRO
NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1	ZINC000027562596	561871002	/nfs/dbraw/zinc/87/10/02/561871002.db2.gz	SOAVLPMWJJWLGT-ZJZGAYNASA-N	1	0	617.754	-0.509	1	30		KBEFRO
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(N)=O	ZINC000027638796	561875000	/nfs/dbraw/zinc/87/50/00/561875000.db2.gz	DFCJPPDAOZROBS-DZUOILHNSA-N	1	0	685.790	-0.583	1	30	in-vivo	KBEFRO
Cc1nsc(C)c1S(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)C(=O)C1	ZINC000027758684	561883786	/nfs/dbraw/zinc/88/37/86/561883786.db2.gz	IBKZIKACZDDSRS-AWEZNQCLSA-N	1	0	556.696	-0.529	1	30		KBEFRO
Cc1nsc(C)c1S(=O)(=O)N1CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)C(=O)C1	ZINC000027758693	561883815	/nfs/dbraw/zinc/88/38/15/561883815.db2.gz	IBKZIKACZDDSRS-CQSZACIVSA-N	1	0	556.696	-0.529	1	30		KBEFRO
CCOC(=O)C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)CCN1S(=O)(=O)Cc1ccccc1	ZINC000027764417	561884504	/nfs/dbraw/zinc/88/45/04/561884504.db2.gz	GGCYUXUNPUOAQW-VQTJNVASSA-N	1	0	621.742	-0.140	1	30		KBEFRO
N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027844812	561885427	/nfs/dbraw/zinc/88/54/27/561885427.db2.gz	XMFDJXNJXYHVID-QGZVFWFLSA-N	1	0	546.635	-0.521	1	30		KBEFRO
N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027844821	561885421	/nfs/dbraw/zinc/88/54/21/561885421.db2.gz	XMFDJXNJXYHVID-KRWDZBQOSA-N	1	0	546.635	-0.521	1	30		KBEFRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027844968	561885460	/nfs/dbraw/zinc/88/54/60/561885460.db2.gz	MQHZVPJACALLTJ-SFHVURJKSA-N	1	0	578.677	-0.644	1	30		KBEFRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027844978	561885430	/nfs/dbraw/zinc/88/54/30/561885430.db2.gz	MQHZVPJACALLTJ-GOSISDBHSA-N	1	0	578.677	-0.644	1	30		KBEFRO
CCOC(=O)C[C@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)CCN1S(=O)(=O)Cc1ccccc1	ZINC000027846582	561885613	/nfs/dbraw/zinc/88/56/13/561885613.db2.gz	GGCYUXUNPUOAQW-PMACEKPBSA-N	1	0	621.742	-0.140	1	30		KBEFRO
CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)C(=O)[C@H]1Cc1ccccc1	ZINC000027847473	561885690	/nfs/dbraw/zinc/88/56/90/561885690.db2.gz	DHJRGLZHLQHNCV-ZWKOTPCHSA-N	1	0	549.679	-0.421	1	30		KBEFRO
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027856333	561886616	/nfs/dbraw/zinc/88/66/16/561886616.db2.gz	MODXFPMFSNERRA-KRWDZBQOSA-N	1	0	551.651	-0.594	1	30		KBEFRO
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)cc1	ZINC000027856341	561886612	/nfs/dbraw/zinc/88/66/12/561886612.db2.gz	MODXFPMFSNERRA-QGZVFWFLSA-N	1	0	551.651	-0.594	1	30		KBEFRO
CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)s1	ZINC000027856610	561886670	/nfs/dbraw/zinc/88/66/70/561886670.db2.gz	FEJQBFKCCZTBNB-AWEZNQCLSA-N	1	0	599.721	-0.879	1	30		KBEFRO
CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c3nccs3)C(=O)C2)s1	ZINC000027856618	561886676	/nfs/dbraw/zinc/88/66/76/561886676.db2.gz	FEJQBFKCCZTBNB-CQSZACIVSA-N	1	0	599.721	-0.879	1	30		KBEFRO
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(=O)NCc1ccccc1	ZINC000028001561	561894856	/nfs/dbraw/zinc/89/48/56/561894856.db2.gz	ZACPTLNXTNWSNP-AFVTUFIASA-N	1	0	663.801	-0.010	1	30		KBEFRO
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(=O)NCc1ccccc1	ZINC000028001566	561894840	/nfs/dbraw/zinc/89/48/40/561894840.db2.gz	ZACPTLNXTNWSNP-CLGRSOJASA-N	1	0	663.801	-0.010	1	30		KBEFRO
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000028014165	561897019	/nfs/dbraw/zinc/89/70/19/561897019.db2.gz	GLOGZGJBCQXGGG-QJKSWXJZSA-N	1	0	731.896	-0.558	1	30		KBEFRO
CSCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000028015220	561897152	/nfs/dbraw/zinc/89/71/52/561897152.db2.gz	OUPQJWPTIBPBKJ-CQJMVLFOSA-N	1	0	713.818	-0.615	1	30		KBEFRO
CN(C)c1cccc2c1ccc[n+]2S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028017027	561897600	/nfs/dbraw/zinc/89/76/00/561897600.db2.gz	ZIBKQZVABQJRQW-YJBOKZPZSA-O	1	0	549.634	-0.966	1	30		KBEFRO
CN(C)c1cccc2c1ccc[n+]2S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@H](CCCCNC(N)=[NH2+])C1)C(=O)[O-]	ZINC000028017032	561897516	/nfs/dbraw/zinc/89/75/16/561897516.db2.gz	ZIBKQZVABQJRQW-QAPCUYQASA-O	1	0	549.634	-0.966	1	30		KBEFRO
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000028017624	561897711	/nfs/dbraw/zinc/89/77/11/561897711.db2.gz	SCMSMSCMAVVGFP-QJKSWXJZSA-N	1	0	731.896	-0.558	1	30		KBEFRO
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1	ZINC000028098450	561901233	/nfs/dbraw/zinc/90/12/33/561901233.db2.gz	TYHNWJHQRDLUOY-VNJQJXRGSA-N	1	0	642.779	-0.280	1	30		KBEFRO
C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000028475792	561927971	/nfs/dbraw/zinc/92/79/71/561927971.db2.gz	ZLADCKHHHMLAMG-HNDFRXHXSA-N	1	0	644.733	-0.527	1	30		KBEFRO
C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C	ZINC000028475998	561928150	/nfs/dbraw/zinc/92/81/50/561928150.db2.gz	DOIPLWFMCRABRU-QGQKXLEHSA-N	1	0	658.760	-0.185	1	30		KBEFRO
C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000028476198	561928133	/nfs/dbraw/zinc/92/81/33/561928133.db2.gz	ZLADCKHHHMLAMG-YFYVCGBBSA-N	1	0	644.733	-0.527	1	30		KBEFRO
C[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1C	ZINC000028476203	561928184	/nfs/dbraw/zinc/92/81/84/561928184.db2.gz	DOIPLWFMCRABRU-WTEOMTDASA-N	1	0	658.760	-0.185	1	30		KBEFRO
CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])[C@@H](C)O	ZINC000028564921	561935869	/nfs/dbraw/zinc/93/58/69/561935869.db2.gz	KUBWVCKPVVLFGN-PMAMDCHESA-N	1	0	620.752	-0.922	1	30		KBEFRO
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)N[C@@H](C)C(=O)[O-]	ZINC000028769061	561960606	/nfs/dbraw/zinc/96/06/06/561960606.db2.gz	JPLXREYFLSZPJV-LQDRYOBXSA-N	1	0	667.853	-0.850	1	30		KBEFRO
CCCC(=O)N[C@@H](C)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	ZINC000028769744	561961020	/nfs/dbraw/zinc/96/10/20/561961020.db2.gz	VICPLCSUKGDIKP-PSRPIYIESA-N	1	0	704.833	-0.633	1	30		KBEFRO
C=C1[C@H](n2ccc(NC(=O)O[C@@H](C)[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C(N)=O)nc2=O)O[C@H](CO)[C@H]1O	ZINC000028821204	561966256	/nfs/dbraw/zinc/96/62/56/561966256.db2.gz	SQEXWKXFZXGQRV-DJCUUKHESA-N	1	0	536.586	-0.745	1	30		KBEFRO
C=C1[C@H](n2ccc(NC(=O)O[C@@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])CC3CCCCC3)nc2=O)O[C@H](CO)[C@H]1O	ZINC000028821210	561966235	/nfs/dbraw/zinc/96/62/35/561966235.db2.gz	QGNVFXULZBHREN-HWDWZLQRSA-N	1	0	523.587	-0.238	1	30		KBEFRO
COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S@@](C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000029326123	562013327	/nfs/dbraw/zinc/01/33/27/562013327.db2.gz	AVGMCYZFGPJTPW-SXXYXHSDSA-N	1	0	602.714	-0.811	1	30		KBEFRO
COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S@](C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+]	ZINC000029326131	562013387	/nfs/dbraw/zinc/01/33/87/562013387.db2.gz	AVGMCYZFGPJTPW-XRDWZVBVSA-N	1	0	602.714	-0.811	1	30		KBEFRO
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)O[C@H](C(=O)[O-])[C@@H](C)O	ZINC000029391598	562017524	/nfs/dbraw/zinc/01/75/24/562017524.db2.gz	CLRCRJOKSZLOIW-UEHMALFGSA-N	1	0	650.730	-0.874	1	30		KBEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000029404271	562020333	/nfs/dbraw/zinc/02/03/33/562020333.db2.gz	GXSFDCINBOQYAD-BQSWGBOTSA-N	1	0	636.751	-0.626	1	30		KBEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000029407346	562020880	/nfs/dbraw/zinc/02/08/80/562020880.db2.gz	BVMWIGSZZNVDRD-BQSWGBOTSA-N	1	0	636.751	-0.626	1	30		KBEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000029470941	562025570	/nfs/dbraw/zinc/02/55/70/562025570.db2.gz	HVWVVJGDULTZNT-JMMIECQRSA-N	1	0	547.657	-0.593	1	30		KBEFRO
COC(=O)[C@@H]1C/C=C\COc2ccc(cc2)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N1	ZINC000034314954	562038738	/nfs/dbraw/zinc/03/87/38/562038738.db2.gz	NKDKMFLJZKAJNP-GILIASSNSA-N	1	0	516.599	-0.341	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)[O-]	ZINC000036216342	562051263	/nfs/dbraw/zinc/05/12/63/562051263.db2.gz	XNBYETXMULNTPG-FKBYEOEOSA-N	1	0	555.636	-0.881	1	30	in-vivo	KBEFRO
CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000036349080	562057817	/nfs/dbraw/zinc/05/78/17/562057817.db2.gz	PXTMVHMNCZRXQJ-QORCZRPOSA-N	1	0	634.775	-0.446	1	30		KBEFRO
CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000036349082	562057874	/nfs/dbraw/zinc/05/78/74/562057874.db2.gz	RVTGSJHDHAUAAQ-UFYCRDLUSA-N	1	0	521.615	-0.977	1	30		KBEFRO
C[NH2+][C@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]1O[C@H]1C#C/C=C\C#C[C@]2(O)CC(=O)[C@H](NC(=O)OC)[C@]13SCCC=C23	ZINC000040676932	562078968	/nfs/dbraw/zinc/07/89/68/562078968.db2.gz	NOHZXYSCBOXUBE-XKBPZDRESA-N	1	0	518.588	-0.767	1	30		KBEFRO
C[NH2+][C@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1O[C@H]1C#C/C=C\C#C[C@]2(O)CC(=O)[C@H](NC(=O)OC)[C@]13SCCC=C23	ZINC000040676936	562078986	/nfs/dbraw/zinc/07/89/86/562078986.db2.gz	NOHZXYSCBOXUBE-GBKYMCTPSA-N	1	0	518.588	-0.767	1	30		KBEFRO
C=C1[C@H]2[C@@H](C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=C)CC[C@H]1[C@H](C[NH2+]C[C@@H]3CCC(=O)O3)C(=O)O[C@H]21	ZINC000049605878	562666429	/nfs/dbraw/zinc/66/64/29/562666429.db2.gz	HMHFWUOWRNKNKO-XYFZZDIESA-N	1	0	523.579	-0.833	1	30		KBEFRO
C=C1[C@H]2[C@@H](C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=C)CC[C@H]1[C@H](C[NH2+]C[C@H]3CCC(=O)O3)C(=O)O[C@H]21	ZINC000049605879	562666426	/nfs/dbraw/zinc/66/64/26/562666426.db2.gz	HMHFWUOWRNKNKO-PSQAUHBESA-N	1	0	523.579	-0.833	1	30		KBEFRO
Cc1cccc2c1C(=O)C1C(=O)[C@H]3C([O-])=C(C(=O)NCN4CCN(C(=[NH2+])NC(N)=[NH2+])CC4)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1[C@@]2(C)O	ZINC000049627453	562667521	/nfs/dbraw/zinc/66/75/21/562667521.db2.gz	DATNVOFYDOSSRI-COUXBJLGSA-N	1	0	608.700	-0.469	1	30		KBEFRO
Cc1cccc2c1C(=O)C1C(=O)[C@H]3C([O-])=C(C(=O)NCN4CCN(C(=[NH2+])NC(N)=[NH2+])CC4)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1[C@]2(C)O	ZINC000049627456	562667511	/nfs/dbraw/zinc/66/75/11/562667511.db2.gz	DATNVOFYDOSSRI-LSYBRXFVSA-N	1	0	608.700	-0.469	1	30		KBEFRO
CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000049695584	562670780	/nfs/dbraw/zinc/67/07/80/562670780.db2.gz	HFWNSMPNJURPFI-IRGGMKSGSA-N	1	0	664.801	-0.231	1	30		KBEFRO
CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000049708835	562671091	/nfs/dbraw/zinc/67/10/91/562671091.db2.gz	QEJAMLVVDGMWQC-LROMGURASA-N	1	0	682.841	-0.668	1	30		KBEFRO
CCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000049709013	562671161	/nfs/dbraw/zinc/67/11/61/562671161.db2.gz	LQGMEJWARZCAQA-LROMGURASA-N	1	0	650.774	-0.621	1	30		KBEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709165	562671252	/nfs/dbraw/zinc/67/12/52/562671252.db2.gz	IXQCZIVLSOBMOY-BJNPORTCSA-N	1	0	714.817	-0.473	1	30		KBEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709948	562671441	/nfs/dbraw/zinc/67/14/41/562671441.db2.gz	WESHKWWFKGVBRE-LROMGURASA-N	1	0	648.758	-0.915	1	30		KBEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709962	562671487	/nfs/dbraw/zinc/67/14/87/562671487.db2.gz	QIGWUJODMNFCOG-IRGGMKSGSA-N	1	0	664.801	-0.375	1	30		KBEFRO
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000049709965	562671444	/nfs/dbraw/zinc/67/14/44/562671444.db2.gz	ZBYPLXUXKZHLAR-IIZANFQQSA-N	1	0	698.818	-0.178	1	30		KBEFRO
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(C)C	ZINC000049723163	562673020	/nfs/dbraw/zinc/67/30/20/562673020.db2.gz	JSEKIGWIXFIRFS-LROMGURASA-N	1	0	650.774	-0.765	1	30		KBEFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000049778277	562681143	/nfs/dbraw/zinc/68/11/43/562681143.db2.gz	DVOPCPVMKCYODT-LHOYKQQOSA-N	1	0	646.815	-0.349	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049833573	562687917	/nfs/dbraw/zinc/68/79/17/562687917.db2.gz	DBWQPEKZJYCIEE-ZXYZSCNASA-N	1	0	710.800	-0.502	1	30		KBEFRO
C=CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)CC	ZINC000049841212	562688096	/nfs/dbraw/zinc/68/80/96/562688096.db2.gz	SZDGCVQTGHXKDE-FVCAIPRHSA-N	1	0	701.870	-0.372	1	30		KBEFRO
C=CC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)CC	ZINC000049841448	562688376	/nfs/dbraw/zinc/68/83/76/562688376.db2.gz	SZDGCVQTGHXKDE-NKJINAAHSA-N	1	0	701.870	-0.372	1	30		KBEFRO
CC1(C)N(O)C(c2ccc(OCCNC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CS)C(=O)NCC(=O)[O-])cc2)[N+](=O)C1(C)C	ZINC000049881543	562690929	/nfs/dbraw/zinc/69/09/29/562690929.db2.gz	ARUYJSBKOMGJTI-ZWKOTPCHSA-N	1	0	582.680	-0.577	1	30		KBEFRO
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC(=O)COc1ccc(C2N(O)C(C)(C)C(C)(C)[N+]2=O)cc1)C(=O)[O-]	ZINC000049889306	562691982	/nfs/dbraw/zinc/69/19/82/562691982.db2.gz	VANAMBUILWXXLX-WATLYSKOSA-N	1	0	735.796	-0.526	1	30		KBEFRO
C[C@H]([NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(N)=O	ZINC000049938367	562695220	/nfs/dbraw/zinc/69/52/20/562695220.db2.gz	UUHHIZPURXKFMO-ZAUZBPKXSA-N	1	0	691.815	-0.728	1	30		KBEFRO
CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\OCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2	ZINC000052955938	562695973	/nfs/dbraw/zinc/69/59/73/562695973.db2.gz	JXWCUSNVLHZLTR-FDFMTRMJSA-N	1	0	611.652	-0.354	1	30		KBEFRO
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000072148902	562729917	/nfs/dbraw/zinc/72/99/17/562729917.db2.gz	LNHLRDVWMBAQGX-YNAZAZDCSA-N	1	0	679.885	-0.154	1	30		KBEFRO
CCCCCCCCCCCC[NH2+][C@H](C(=O)[O-])[C@@H](C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O	ZINC000082165054	562741374	/nfs/dbraw/zinc/74/13/74/562741374.db2.gz	SAZKESSELLMJRZ-YLSWUKSGSA-N	1	0	630.736	-0.700	1	30		KBEFRO
C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O	ZINC000084634820	562745991	/nfs/dbraw/zinc/74/59/91/562745991.db2.gz	UVXIBPIDZMHKGA-XLXFXAPISA-N	1	0	594.717	-0.728	1	30		KBEFRO
C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O	ZINC000084634822	562745986	/nfs/dbraw/zinc/74/59/86/562745986.db2.gz	UVXIBPIDZMHKGA-IRMBCWQZSA-N	1	0	594.717	-0.728	1	30		KBEFRO
C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O	ZINC000084634824	562746009	/nfs/dbraw/zinc/74/60/09/562746009.db2.gz	UVXIBPIDZMHKGA-IWAQDRFTSA-N	1	0	594.717	-0.728	1	30		KBEFRO
C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O	ZINC000084634825	562746001	/nfs/dbraw/zinc/74/60/01/562746001.db2.gz	UVXIBPIDZMHKGA-JISJLREOSA-N	1	0	594.717	-0.728	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000084651828	562746364	/nfs/dbraw/zinc/74/63/64/562746364.db2.gz	MNPGXWWVUBHRNN-ZVBOOHQUSA-N	1	0	658.764	-0.838	1	30		KBEFRO
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000084671770	562748679	/nfs/dbraw/zinc/74/86/79/562748679.db2.gz	MNPGXWWVUBHRNN-PUHABZHSSA-N	1	0	658.764	-0.838	1	30		KBEFRO
CNC(=[NH2+])Nc1c(C=C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2C=C2CCCCC2)c[n+](CCO)cc1C(=O)[O-]	ZINC000085493357	291626704	/nfs/dbraw/zinc/62/67/04/291626704.db2.gz	ACGXRVUJODTSAC-QOOKNFCMSA-O	1	0	677.728	-0.804	1	30	biogenic,in-vitro	KBEFRO
C=C[C@@H]1[C@H](C=Cc2c[n+](CCO)cc(C(=O)[O-])c2NC(=[NH2+])NC)C(C(=O)OC2CCCCC2)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085493374	291621827	/nfs/dbraw/zinc/62/18/27/291621827.db2.gz	VRBDOZYFIMAXIL-SZHOBEIYSA-O	1	0	677.728	-0.806	1	30	biogenic,in-vitro	KBEFRO
CNC(=[NH2+])NCc1c(CCC=O)cc2c(c1[O-])C(=O)c1c(O[C@@H]3O[C@H](CO)[C@](O)(CCc4cc[nH+]c(N)c4)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568877	565144111	/nfs/dbraw/zinc/14/41/11/565144111.db2.gz	AITHDQCFNYBFKK-SKQKVBSXSA-N	1	0	693.710	-0.290	1	30	biogenic,in-vitro	KBEFRO
NC(=[NH2+])NCc1c(CCc2ccccc2)c2c(c(OCCO)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593121	565148972	/nfs/dbraw/zinc/14/89/72/565148972.db2.gz	LFXSPOJLADUPPZ-COWYUDLXSA-N	1	0	621.643	-0.430	1	30	biogenic,in-vitro	KBEFRO
NC(=[NH2+])NCc1c(CCc2ccccc2)c2c(c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593137	560065434	/nfs/dbraw/zinc/06/54/34/560065434.db2.gz	VHRXFARGSXWXST-JROQSMCSSA-N	1	0	577.590	-0.095	1	30	biogenic,in-vitro	KBEFRO
NC(=[NH2+])NCc1cc2c(c(O)c1O[C@H]1O[C@@H](C3(O)CCCCC3)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593156	560065444	/nfs/dbraw/zinc/06/54/44/560065444.db2.gz	UVMGUQFQLVSAPS-QZJHCZKLSA-N	1	0	541.557	-0.177	1	30	biogenic,in-vitro	KBEFRO
NC(=[NH2+])NCc1cc2c(c(O)c1O[C@H]1O[C@@H](C3(O)CCCC3)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	ZINC000085593159	560065503	/nfs/dbraw/zinc/06/55/03/560065503.db2.gz	YRAJVFGXPJPEOY-CMOSFIGNSA-N	1	0	527.530	-0.568	1	30	biogenic,in-vitro	KBEFRO
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3OCCNC(N)=[NH2+])c(C)c(O)c1C2=O	ZINC000085593460	560065182	/nfs/dbraw/zinc/06/51/82/560065182.db2.gz	AUZKARUHEYPWGW-IGQFKGPSSA-N	1	0	573.555	-0.602	1	30	biogenic,in-vitro	KBEFRO
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3OCCNC(N)=[NH2+])c(C)c(O)c1C2=O	ZINC000085593499	560065384	/nfs/dbraw/zinc/06/53/84/560065384.db2.gz	GTKIMJNHEFFKCG-DQISCJEISA-N	1	0	543.529	-0.095	1	30	biogenic,in-vitro	KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095542275	562756586	/nfs/dbraw/zinc/75/65/86/562756586.db2.gz	OSQWOUHAMJPFAS-YDPTYEFTSA-N	1	0	784.923	-0.378	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O	ZINC000095542881	562756921	/nfs/dbraw/zinc/75/69/21/562756921.db2.gz	WMMWJBFBADMJIK-ZQKWFRRKSA-N	1	0	781.919	-0.398	1	30		KBEFRO
C[C@@H]1NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000095543158	562757112	/nfs/dbraw/zinc/75/71/12/562757112.db2.gz	XUTYIKZHTPPGMX-NPIMDBKXSA-N	1	0	787.923	-0.984	1	30		KBEFRO
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(N)=O	ZINC000095543450	562757260	/nfs/dbraw/zinc/75/72/60/562757260.db2.gz	DFCJPPDAOZROBS-AIQXTLEGSA-N	1	0	685.790	-0.583	1	30		KBEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CS)C(=O)[O-]	ZINC000095544806	562757880	/nfs/dbraw/zinc/75/78/80/562757880.db2.gz	XVAQGWUQWXOFCW-PUEDFKRLSA-N	1	0	827.026	-0.203	1	30		KBEFRO
CCCC(=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	ZINC000095564381	562764311	/nfs/dbraw/zinc/76/43/11/562764311.db2.gz	LVACOVVOTCZAIW-KQFVITFDSA-N	1	0	770.896	-0.687	1	30		KBEFRO
C[C@@H]1NC(=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)NC(=O)[C@H](Cc2cccs2)NC1=O	ZINC000095564407	562764339	/nfs/dbraw/zinc/76/43/39/562764339.db2.gz	IBICZXAWQIYOEV-JJSNPGQBSA-N	1	0	777.949	-0.578	1	30		KBEFRO
C[C@@H]1NC(=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)NC(=O)[C@H](Cc2cccs2)NC1=O	ZINC000095564408	562764321	/nfs/dbraw/zinc/76/43/21/562764321.db2.gz	IBICZXAWQIYOEV-OZMRNUFOSA-N	1	0	777.949	-0.578	1	30		KBEFRO
C[C@@H]1NC(=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)NC(=O)[C@H](Cc2cccs2)NC1=O	ZINC000095564409	562764337	/nfs/dbraw/zinc/76/43/37/562764337.db2.gz	IBICZXAWQIYOEV-WZXVYMIGSA-N	1	0	777.949	-0.578	1	30		KBEFRO
C[C@@H]1NC(=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)NC(=O)[C@H](Cc2cccs2)NC1=O	ZINC000095564410	562764338	/nfs/dbraw/zinc/76/43/38/562764338.db2.gz	IBICZXAWQIYOEV-IVWCQWKWSA-N	1	0	777.949	-0.578	1	30		KBEFRO
Cc1c(O)cccc1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[C@@]1(C)CO1)C(C)C	ZINC000095583570	562772977	/nfs/dbraw/zinc/77/29/77/562772977.db2.gz	ALBAKAPRKLPXLJ-BCGYLUKHSA-N	1	0	534.614	-0.962	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]([NH3+])CCC(=O)[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO	ZINC000095584686	562773326	/nfs/dbraw/zinc/77/33/26/562773326.db2.gz	CMVUAWOMMQTCFN-FPCALVHFSA-N	1	0	678.747	-0.254	1	30		KBEFRO
CC(=O)OC[C@H]1O[C@@H](n2cc(C#Cc3ccc[n+](C)c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095586342	562773960	/nfs/dbraw/zinc/77/39/60/562773960.db2.gz	FBTIEUQJRWDOHS-MXCHMSEPSA-O	1	0	558.520	-0.984	1	30		KBEFRO
CC(=O)OC[C@H]1O[C@@H](n2cc(C#Cc3cccc[n+]3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095587245	562774236	/nfs/dbraw/zinc/77/42/36/562774236.db2.gz	FZYQCNPJXGIJAU-MXCHMSEPSA-O	1	0	558.520	-0.984	1	30		KBEFRO
CCCC(=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](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O	ZINC000095607580	562782869	/nfs/dbraw/zinc/78/28/69/562782869.db2.gz	VGEQKPIZLOMRBH-SSNHPIBPSA-N	1	0	781.919	-0.015	1	30		KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095607584	562782874	/nfs/dbraw/zinc/78/28/74/562782874.db2.gz	DOAQTQYFNKQPTO-YGXYGYJOSA-N	1	0	814.949	-0.288	1	30		KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095607589	562782852	/nfs/dbraw/zinc/78/28/52/562782852.db2.gz	RFOJLIHUEQDUAJ-XFTNXAEASA-N	1	0	776.925	-0.625	1	30		KBEFRO
CCCC(=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	ZINC000095608686	562783643	/nfs/dbraw/zinc/78/36/43/562783643.db2.gz	LVACOVVOTCZAIW-JVVMDBNWSA-N	1	0	770.896	-0.687	1	30		KBEFRO
CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095610278	562784255	/nfs/dbraw/zinc/78/42/55/562784255.db2.gz	PURQPLXPSRNFFZ-IHZBLBIESA-N	1	0	801.910	-0.391	1	30		KBEFRO
CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)NC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095610294	562784295	/nfs/dbraw/zinc/78/42/95/562784295.db2.gz	WNPYLTHYJRFAPP-SSNHPIBPSA-N	1	0	781.923	-0.101	1	30		KBEFRO
CCCC(=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	ZINC000095611571	562785121	/nfs/dbraw/zinc/78/51/21/562785121.db2.gz	LVACOVVOTCZAIW-ORYMTKCHSA-N	1	0	770.896	-0.687	1	30		KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095612058	562785200	/nfs/dbraw/zinc/78/52/00/562785200.db2.gz	QALQZIUEBLVALT-YDPTYEFTSA-N	1	0	800.922	-0.678	1	30		KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095612068	562785234	/nfs/dbraw/zinc/78/52/34/562785234.db2.gz	PGJYWMVUWDKZMU-ORYMTKCHSA-N	1	0	805.341	-0.033	1	30		KBEFRO
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095612111	562785289	/nfs/dbraw/zinc/78/52/89/562785289.db2.gz	KIFLITLQLYJCJB-ORYMTKCHSA-N	1	0	786.895	-0.981	1	30		KBEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000095612912	562785922	/nfs/dbraw/zinc/78/59/22/562785922.db2.gz	RCANPSOYHAFQSD-IAXXQWKVSA-N	1	0	780.972	-0.382	1	30		KBEFRO
CC(=O)N1CSC[C@H]1C(=O)N[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(N)=O	ZINC000096902537	562797479	/nfs/dbraw/zinc/79/74/79/562797479.db2.gz	VZHORNRJAPNZRV-IRGGMKSGSA-N	1	0	703.911	-0.279	1	30		KBEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902538	562797487	/nfs/dbraw/zinc/79/74/87/562797487.db2.gz	XHKPOXJXGXOAGC-KEOOTSPTSA-N	1	0	661.874	-0.538	1	30		KBEFRO
CC(=O)NCCC(=O)N[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(N)=O	ZINC000096902820	562797662	/nfs/dbraw/zinc/79/76/62/562797662.db2.gz	MTPCONXFKSCVAE-CQJMVLFOSA-N	1	0	659.833	-0.674	1	30		KBEFRO
CSCC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(N)=O	ZINC000096902859	562797718	/nfs/dbraw/zinc/79/77/18/562797718.db2.gz	BARSEPSSXKFFGG-MBDNFAEBSA-N	1	0	630.882	-0.039	1	30		KBEFRO
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@@]1(C(N)=O)CCc2ccccc2C1	ZINC000096902956	562797767	/nfs/dbraw/zinc/79/77/67/562797767.db2.gz	FKKJYDBNNXYKOI-JPWDMULGSA-N	1	0	672.791	-0.748	1	30		KBEFRO
CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)n1	ZINC000096903687	562797983	/nfs/dbraw/zinc/79/79/83/562797983.db2.gz	UEVAKYDNIGBSOZ-YBTBMNATSA-N	1	0	553.661	-0.318	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000096904222	562798149	/nfs/dbraw/zinc/79/81/49/562798149.db2.gz	CCVDOQFVESBYNR-JUWKYGKJSA-N	1	0	718.856	-0.230	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000096904223	562798169	/nfs/dbraw/zinc/79/81/69/562798169.db2.gz	CCVDOQFVESBYNR-AJJIMLHCSA-N	1	0	718.856	-0.230	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000096904224	562798174	/nfs/dbraw/zinc/79/81/74/562798174.db2.gz	CCVDOQFVESBYNR-KDDCZBLZSA-N	1	0	718.856	-0.230	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000096904225	562798153	/nfs/dbraw/zinc/79/81/53/562798153.db2.gz	CCVDOQFVESBYNR-XVDYUCNFSA-N	1	0	718.856	-0.230	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1cccs1)C(=O)[O-]	ZINC000096904286	562798279	/nfs/dbraw/zinc/79/82/79/562798279.db2.gz	DSADYAPBHIUULF-AKFJUFKASA-N	1	0	724.885	-0.169	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1cccs1)C(=O)[O-]	ZINC000096904287	562798285	/nfs/dbraw/zinc/79/82/85/562798285.db2.gz	DSADYAPBHIUULF-VNPODFCCSA-N	1	0	724.885	-0.169	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1cccs1)C(=O)[O-]	ZINC000096904288	562798252	/nfs/dbraw/zinc/79/82/52/562798252.db2.gz	DSADYAPBHIUULF-IKLUZTLWSA-N	1	0	724.885	-0.169	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1cccs1)C(=O)[O-]	ZINC000096904289	562798263	/nfs/dbraw/zinc/79/82/63/562798263.db2.gz	DSADYAPBHIUULF-SSVLTWIWSA-N	1	0	724.885	-0.169	1	30		KBEFRO
C[C@H]1c2ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000100869165	562808321	/nfs/dbraw/zinc/80/83/21/562808321.db2.gz	JDVHODYFPYQJLH-GSZBEHFKSA-N	1	0	587.630	-0.953	1	30		KBEFRO
C[C@H]1c2ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000100869166	562808320	/nfs/dbraw/zinc/80/83/20/562808320.db2.gz	JDVHODYFPYQJLH-KOBBDRDFSA-N	1	0	587.630	-0.953	1	30		KBEFRO
C[C@H]1c2ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100869168	562808306	/nfs/dbraw/zinc/80/83/06/562808306.db2.gz	JDVHODYFPYQJLH-BQKBYWDMSA-N	1	0	587.630	-0.953	1	30		KBEFRO
C[C@H]1c2ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000100869170	562808290	/nfs/dbraw/zinc/80/82/90/562808290.db2.gz	JDVHODYFPYQJLH-LPTIIBKPSA-N	1	0	587.630	-0.953	1	30		KBEFRO
NC(=[NH2+])NCc1cc2c(c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OCCc1ccnc(N)c1)C(=O)c1ccccc1C2=O	ZINC000103527547	560051121	/nfs/dbraw/zinc/05/11/21/560051121.db2.gz	WACJXGFCDBHKGF-LDTWLQNPSA-N	1	0	593.593	-0.636	1	30	biogenic,in-vitro	KBEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000135787421	562831054	/nfs/dbraw/zinc/83/10/54/562831054.db2.gz	YQEWKSUPPWRNOU-HJOGWXRNSA-N	1	0	607.668	-0.197	1	30		KBEFRO
C[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(NC(=O)c2cc(NC(=O)CNC(N)=[NH2+])cn2C)cn1C)C(=O)OC(C)(C)C	ZINC000136407072	562831170	/nfs/dbraw/zinc/83/11/70/562831170.db2.gz	ZHNDEXGOVQQIKA-UONOGXRCSA-N	1	0	559.628	-0.208	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@H]3Cc4ccccc4CN3)CC(=O)N21)C(=O)c1nccs1	ZINC000139977003	562832807	/nfs/dbraw/zinc/83/28/07/562832807.db2.gz	TVPBMEFOUZJGDP-BQJUDKOJSA-N	1	0	566.688	-0.220	1	30		KBEFRO
COC(=O)[C@@H]1C/C=C\COc2ccc(cc2)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N1	ZINC000141323750	562833544	/nfs/dbraw/zinc/83/35/44/562833544.db2.gz	NKDKMFLJZKAJNP-XSUPTFRTSA-N	1	0	516.599	-0.341	1	30		KBEFRO
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C1=O	ZINC000150581273	562845501	/nfs/dbraw/zinc/84/55/01/562845501.db2.gz	FDLWVTUXYSIUCI-LFXFVITASA-N	1	0	813.961	-0.629	1	30		KBEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000161909480	562849242	/nfs/dbraw/zinc/84/92/42/562849242.db2.gz	OIWPRMQQRUANPY-LJWNLINESA-N	1	0	801.972	-0.036	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O	ZINC000163300526	562849333	/nfs/dbraw/zinc/84/93/33/562849333.db2.gz	VCIZJJJUWBAPMR-CRNKYVSFSA-N	1	0	697.801	-0.568	1	30		KBEFRO
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C)C(N)=O	ZINC000163323127	562849345	/nfs/dbraw/zinc/84/93/45/562849345.db2.gz	UKAKJUIEJVFYRL-RYCXQYRLSA-N	1	0	716.844	-0.105	1	30		KBEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@]4(C[NH3+])NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2	ZINC000167586098	562850964	/nfs/dbraw/zinc/85/09/64/562850964.db2.gz	JVMVFKOFVVLBAY-JWQCQUIFSA-N	1	0	502.487	-0.726	1	30		KBEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@]4(C[NH3+])NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2	ZINC000167589346	562850960	/nfs/dbraw/zinc/85/09/60/562850960.db2.gz	JVMVFKOFVVLBAY-RPBOFIJWSA-N	1	0	502.487	-0.726	1	30		KBEFRO
COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C(=O)NO)cc1	ZINC000169330094	562858658	/nfs/dbraw/zinc/85/86/58/562858658.db2.gz	ICBMLKBSZHEXGD-VDGAXYAQSA-N	1	0	519.580	-0.865	1	30		KBEFRO
Cc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C(=O)NO)cc1	ZINC000169330658	562858744	/nfs/dbraw/zinc/85/87/44/562858744.db2.gz	FKNUGUJZQXFERU-IHPCNDPISA-N	1	0	503.581	-0.566	1	30		KBEFRO
CC(=O)NCC#CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CCO[C@@H](CC[NH3+])C1	ZINC000169359234	562864052	/nfs/dbraw/zinc/86/40/52/562864052.db2.gz	KPEAUNCJIVUEQJ-ZZTWKDBPSA-N	1	0	789.997	-0.439	1	30		KBEFRO
CNC(=S)NCC#CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N1CCO[C@@H](CC[NH3+])C1	ZINC000169366675	562864514	/nfs/dbraw/zinc/86/45/14/562864514.db2.gz	PMGOEWJGCKXYHF-LJADHVKFSA-N	1	0	821.080	-0.070	1	30		KBEFRO
Cc1cccc2c1C(=O)C1C(=O)[C@@H]3C([O-])=C(C(=O)NCN4CCN(C(=[NH2+])NC(N)=[NH2+])CC4)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1[C@]2(C)O	ZINC000169368544	562864628	/nfs/dbraw/zinc/86/46/28/562864628.db2.gz	DATNVOFYDOSSRI-MAMBYEKHSA-N	1	0	608.700	-0.469	1	30		KBEFRO
Cc1cccc2c1C(=O)C1C(=O)[C@@H]3C([O-])=C(C(=O)NCN4CCN(C(=[NH2+])NC(N)=[NH2+])CC4)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1[C@@]2(C)O	ZINC000169368545	562864631	/nfs/dbraw/zinc/86/46/31/562864631.db2.gz	DATNVOFYDOSSRI-DDWFKFFNSA-N	1	0	608.700	-0.469	1	30		KBEFRO
NC(=[NH2+])NCCC[C@H]1NC(=O)CCCCCC(=O)N[C@H](Cc2ccc(O)cc2)CN(CC(N)=O)C1=O	ZINC000198914935	562872900	/nfs/dbraw/zinc/87/29/00/562872900.db2.gz	MDZNCIDYBYKRFD-IEBWSBKVSA-N	1	0	503.604	-0.764	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC(=O)[C@H](c2ccccc2)NC(=O)CCCNC1=O	ZINC000205825482	562875963	/nfs/dbraw/zinc/87/59/63/562875963.db2.gz	JGTMGDJDZINSCB-IBXBOUOLSA-N	1	0	771.920	-0.117	1	30		KBEFRO
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](CO)NC(=O)[C@H](c2ccccc2)NC(=O)CCCNC1=O	ZINC000205825518	562875943	/nfs/dbraw/zinc/87/59/43/562875943.db2.gz	JGTMGDJDZINSCB-GNSRMXRCSA-N	1	0	771.920	-0.117	1	30		KBEFRO
C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@@H](C)O[C@H]1O[C@H]1C#C/C=C\C#C[C@]2(O)CC(=O)[C@H](NC(=O)OC)[C@]13SCCC=C23	ZINC000299836571	562887258	/nfs/dbraw/zinc/88/72/58/562887258.db2.gz	NOHZXYSCBOXUBE-JXJMGUDKSA-N	1	0	518.588	-0.767	1	30		KBEFRO
C[NH2+][C@H]1[C@H](O)[C@H](O)[C@@H](C)O[C@H]1O[C@H]1C#C/C=C\C#C[C@]2(O)CC(=O)[C@H](NC(=O)OC)[C@]13SCCC=C23	ZINC000299836574	562887251	/nfs/dbraw/zinc/88/72/51/562887251.db2.gz	NOHZXYSCBOXUBE-NSTCXGHNSA-N	1	0	518.588	-0.767	1	30		KBEFRO
CC(C)C[C@@H](NC(=O)CNC1=N[C@@H](C)[C@@H](C(=O)NC(C)(C)C)N2CCC[C@H]12)C(=O)N[C@H](CCC[NH3+])C(=O)[O-]	ZINC000653880682	562916776	/nfs/dbraw/zinc/91/67/76/562916776.db2.gz	SHVKDEUOQNPGGL-MERXZDIISA-N	1	0	537.706	-0.037	1	30		KBEFRO
CC[C@H](C)[C@@H]1NC(=O)c2cc([N+](=O)[O-])cc(I)c2NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000008691282	561707957	/nfs/dbraw/zinc/70/79/57/561707957.db2.gz	RAQILAQZYZZLLO-SPOWBLRKSA-N	1	0	659.486	-0.332	3	30		KBEFRO
C[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2cc([N+](=O)[O-])cc(I)c2NCCC[C@@H](C(N)=O)NC1=O	ZINC000008691307	561708018	/nfs/dbraw/zinc/70/80/18/561708018.db2.gz	CUZQQNHMFSMMOU-LKTVYLICSA-N	1	0	631.432	-0.968	3	30		KBEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCCNC(N)=[NH2+])nn3)CC2)n1	ZINC000008829341	561708461	/nfs/dbraw/zinc/70/84/61/561708461.db2.gz	RQZBYGLMTWYJOS-BDYUSTAISA-N	1	0	699.862	-0.463	3	30		KBEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCC(=O)[O-])n3cc([C@@H]([NH3+])CCCC[NH3+])nn3)CC2)n1	ZINC000072127679	562725831	/nfs/dbraw/zinc/72/58/31/562725831.db2.gz	NMULSMZYHYAGOR-BDYUSTAISA-N	1	0	716.845	-0.722	3	30		KBEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CC(N)=O)n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1	ZINC000072128036	562726082	/nfs/dbraw/zinc/72/60/82/562726082.db2.gz	LCSOBLZJMUPKMV-RMDSEJHCSA-N	1	0	686.819	-0.794	3	30		KBEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CC(N)=O)n3cc([C@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1	ZINC000072128037	562726045	/nfs/dbraw/zinc/72/60/45/562726045.db2.gz	LCSOBLZJMUPKMV-SCTDOJESSA-N	1	0	686.819	-0.794	3	30		KBEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)n1	ZINC000072136277	562727872	/nfs/dbraw/zinc/72/78/72/562727872.db2.gz	ZPPUGYALSDIYSH-UHFFFAOYSA-N	1	0	615.740	-0.975	3	30		KBEFRO