smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCC[NH+](C)C	ZINC000003800888	561682510	/nfs/dbraw/zinc/68/25/10/561682510.db2.gz	NUHAFINENPHFDX-GCJKJVERSA-N	1	0	505.685	2.164	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000003945537	561689900	/nfs/dbraw/zinc/68/99/00/561689900.db2.gz	JLNWZEIIEIIPES-ZYSHUDEJSA-N	1	0	557.479	2.497	1	30		KEEFRO
CCc1cc2c(nc1CC)CC[N@H+](CC/C(C)=N/O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C2	ZINC000008035754	561704867	/nfs/dbraw/zinc/70/48/67/561704867.db2.gz	ARUVJCBJOZWBGJ-OHXCDUNUSA-N	1	0	605.685	2.430	1	30		KEEFRO
C=C1CN(S(=O)(=O)c2ccc(OC)cc2)CCC[NH2+]CCCN(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000013681672	561724606	/nfs/dbraw/zinc/72/46/06/561724606.db2.gz	MBXMHGVCPBNRNB-UHFFFAOYSA-N	1	0	523.677	2.325	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000014279298	561739046	/nfs/dbraw/zinc/73/90/46/561739046.db2.gz	JLNWZEIIEIIPES-SNRMKQJTSA-N	1	0	557.479	2.288	1	30		KEEFRO
COc1cc2c(cc1OCCN1CC[NH2+]CC1)ncnc2N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000022925875	561759733	/nfs/dbraw/zinc/75/97/33/561759733.db2.gz	AYUNZMXVGUBBHP-UHFFFAOYSA-N	1	0	516.606	2.148	1	30		KEEFRO
COc1cc2c(cc1OCCN1CC[NH+](C)CC1)ncnc2N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000022925880	561759684	/nfs/dbraw/zinc/75/96/84/561759684.db2.gz	HYJFRKGSJGMOJJ-UHFFFAOYSA-N	1	0	530.633	2.490	1	30		KEEFRO
Cn1cc(NC(=O)c2cc(NC(=O)Cc3ccc(COCO[C@@]45C#C/C=C\C#C[C@H](O)C(=CCC4)C5=O)cc3)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000025996383	561765021	/nfs/dbraw/zinc/76/50/21/561765021.db2.gz	SOCFHZMGQQYDPM-ORUXAGSCSA-N	1	0	705.772	2.309	1	30		KEEFRO
Cc1ccc(N2CCN(C(=O)[C@@H](CC3CCCCC3)N3C(=O)N[C@H](CCCNC(N)=[NH2+])C3=O)CC2)c(C)c1	ZINC000026278961	561778764	/nfs/dbraw/zinc/77/87/64/561778764.db2.gz	MHYGRXQNBCVPBJ-ISKFKSNPSA-N	1	0	525.698	2.265	1	30		KEEFRO
CC(=O)OCC1(c2ccccc2)CCN(C(=O)[C@@H](CC2CCCCC2)N2C(=O)N[C@H](CCCNC(N)=[NH2+])C2=O)CC1	ZINC000026282559	561779306	/nfs/dbraw/zinc/77/93/06/561779306.db2.gz	HVYWIUOVKGHHHZ-JWQCQUIFSA-N	1	0	568.719	2.423	1	30		KEEFRO
Cc1cccc(C)c1N1CCN(C(=O)[C@@H](CC2CCCCC2)N2C(=O)N[C@H](CCCNC(N)=[NH2+])C2=O)CC1	ZINC000026284065	561779594	/nfs/dbraw/zinc/77/95/94/561779594.db2.gz	NIVVQBFSLKXZPE-DHIUTWEWSA-N	1	0	525.698	2.265	1	30		KEEFRO
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000026397476	561787386	/nfs/dbraw/zinc/78/73/86/561787386.db2.gz	HYAFCDGYRQSGGV-DMKHAHDWSA-N	1	0	655.847	2.126	1	30		KEEFRO
N#Cc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)cc1	ZINC000026399264	561787915	/nfs/dbraw/zinc/78/79/15/561787915.db2.gz	ORJYLMNCIRRJGS-OIFRRMEBSA-N	1	0	714.874	2.404	1	30		KEEFRO
C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCNC(N)=[NH2+])P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000026467218	561790007	/nfs/dbraw/zinc/79/00/07/561790007.db2.gz	IVNRVJGAZDHJNA-RMUDUWAUSA-N	1	0	640.634	2.235	1	30		KEEFRO
C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCNC(N)=[NH2+])P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000026467226	561789957	/nfs/dbraw/zinc/78/99/57/561789957.db2.gz	IVNRVJGAZDHJNA-BYXVTNLJSA-N	1	0	640.634	2.235	1	30		KEEFRO
CCCCCC[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)OC)C(=O)[O-]	ZINC000026578762	561803819	/nfs/dbraw/zinc/80/38/19/561803819.db2.gz	HYOIXDQZRRYZMK-SSUZURRFSA-N	1	0	604.793	2.243	1	30		KEEFRO
CCCCCC[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)OC)C(=O)[O-]	ZINC000026578763	561803831	/nfs/dbraw/zinc/80/38/31/561803831.db2.gz	HYOIXDQZRRYZMK-CQJMVLFOSA-N	1	0	604.793	2.243	1	30		KEEFRO
CCCCCC[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC)C(=O)OC)C(=O)[O-]	ZINC000026579551	561804892	/nfs/dbraw/zinc/80/48/92/561804892.db2.gz	NFDGDKSWNHBFPY-SSUZURRFSA-N	1	0	604.793	2.387	1	30		KEEFRO
CCCCCC[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC)C(=O)OC)C(=O)[O-]	ZINC000026579552	561805010	/nfs/dbraw/zinc/80/50/10/561805010.db2.gz	NFDGDKSWNHBFPY-CQJMVLFOSA-N	1	0	604.793	2.387	1	30		KEEFRO
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCC[NH+]1CCCCC1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000026662712	561810640	/nfs/dbraw/zinc/81/06/40/561810640.db2.gz	SKSXASSXTOSPTG-FCTGTBMNSA-N	1	0	522.683	2.169	1	30		KEEFRO
N#CNC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000026665826	561811142	/nfs/dbraw/zinc/81/11/42/561811142.db2.gz	UADYBTCIZNQDKB-KFDULEKRSA-N	1	0	510.598	2.458	1	30		KEEFRO
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCC[NH+]1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000026671078	561812422	/nfs/dbraw/zinc/81/24/22/561812422.db2.gz	BRFUPHYZTPTAMP-FCTGTBMNSA-N	1	0	522.683	2.169	1	30		KEEFRO
CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026673441	561813123	/nfs/dbraw/zinc/81/31/23/561813123.db2.gz	HQOYMPPRYNULSG-FZCBKRAZSA-N	1	0	717.831	2.372	1	30		KEEFRO
C=C1C[C@@](COc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)n2)(c2ccccc2)OC1=O	ZINC000026731877	561816753	/nfs/dbraw/zinc/81/67/53/561816753.db2.gz	KJNXYQBZIYYHMX-JGCGQSQUSA-N	1	0	641.689	2.435	1	30		KEEFRO
C=C1C[C@](COc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)n2)(c2ccccc2)OC1=O	ZINC000026731881	561816757	/nfs/dbraw/zinc/81/67/57/561816757.db2.gz	KJNXYQBZIYYHMX-YTTGMZPUSA-N	1	0	641.689	2.435	1	30		KEEFRO
COc1ccc(S(=O)(=O)N(CC#CCN2CC[NH+](C)CC2)c2c(C)cc(Br)cc2C(=O)NO)cc1	ZINC000026744110	561818501	/nfs/dbraw/zinc/81/85/01/561818501.db2.gz	HEYGZWVOCCBCPY-UHFFFAOYSA-N	1	0	565.490	2.331	1	30		KEEFRO
COc1ccc(S(=O)(=O)N(C)c2c(CN3CC[NH+](C)CC3)cc(Br)cc2C(=O)NO)cc1	ZINC000026747346	561818981	/nfs/dbraw/zinc/81/89/81/561818981.db2.gz	DPCXVXNEMYTZOE-UHFFFAOYSA-N	1	0	527.441	2.149	1	30		KEEFRO
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000026816595	561820309	/nfs/dbraw/zinc/82/03/09/561820309.db2.gz	IVEXPPDELCLWIZ-UHFFFAOYSA-O	1	0	538.071	2.353	1	30		KEEFRO
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1c(Cl)c(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000026818013	561820514	/nfs/dbraw/zinc/82/05/14/561820514.db2.gz	XMCXXTIMJCNNQJ-UHFFFAOYSA-O	1	0	544.462	2.498	1	30		KEEFRO
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000026819056	561820726	/nfs/dbraw/zinc/82/07/26/561820726.db2.gz	OUMPUZVMBRQYIF-UHFFFAOYSA-O	1	0	543.569	2.210	1	30		KEEFRO
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1	ZINC000026821634	561821166	/nfs/dbraw/zinc/82/11/66/561821166.db2.gz	IXHHOJONZMCEDC-QCWLDUFUSA-O	1	0	601.756	2.137	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1cccc2ccccc21	ZINC000026831022	561822990	/nfs/dbraw/zinc/82/29/90/561822990.db2.gz	PLAJAOHXCUUQEL-AJSBUHFISA-N	1	0	538.649	2.134	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1cccc2ccccc21	ZINC000026831026	561822967	/nfs/dbraw/zinc/82/29/67/561822967.db2.gz	PLAJAOHXCUUQEL-VJBMBRPKSA-N	1	0	538.649	2.134	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])c1ccc2ccccc2c1	ZINC000026838407	561825025	/nfs/dbraw/zinc/82/50/25/561825025.db2.gz	YSHIHBNJUPKMRT-RJGXRXQPSA-N	1	0	538.649	2.134	1	30		KEEFRO
COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)CNC(=O)[C@@H](CC1CCCCC1)NC(N)=[NH2+]	ZINC000026935263	561827361	/nfs/dbraw/zinc/82/73/61/561827361.db2.gz	MCWWAEOCNFUYJG-FTJBHMTQSA-N	1	0	531.657	2.015	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000026936497	561827523	/nfs/dbraw/zinc/82/75/23/561827523.db2.gz	JLNWZEIIEIIPES-AYOQOUSVSA-N	1	0	557.479	2.288	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000026936502	561827550	/nfs/dbraw/zinc/82/75/50/561827550.db2.gz	JLNWZEIIEIIPES-MNEFBYGVSA-N	1	0	557.479	2.288	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1cccc2ccccc21	ZINC000026938318	561827807	/nfs/dbraw/zinc/82/78/07/561827807.db2.gz	PLAJAOHXCUUQEL-WTIAFYNJSA-N	1	0	538.649	2.134	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1ccc2ccccc2c1	ZINC000026939551	561827972	/nfs/dbraw/zinc/82/79/72/561827972.db2.gz	YSHIHBNJUPKMRT-XPWALMASSA-N	1	0	538.649	2.134	1	30		KEEFRO
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1cccc2ccccc21	ZINC000026939860	561827965	/nfs/dbraw/zinc/82/79/65/561827965.db2.gz	PLAJAOHXCUUQEL-OIBXWCBGSA-N	1	0	538.649	2.134	1	30		KEEFRO
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1)N1CC[NH2+]CC1	ZINC000026989852	561832367	/nfs/dbraw/zinc/83/23/67/561832367.db2.gz	DQLDJYJWPVFOFC-REUBFRLUSA-N	1	0	704.747	2.376	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997077	561833364	/nfs/dbraw/zinc/83/33/64/561833364.db2.gz	RSABICNTONREJS-WAKHXKBOSA-N	1	0	615.779	2.149	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997086	561833436	/nfs/dbraw/zinc/83/34/36/561833436.db2.gz	RSABICNTONREJS-QYDYLWNGSA-N	1	0	615.779	2.149	1	30		KEEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997092	561833430	/nfs/dbraw/zinc/83/34/30/561833430.db2.gz	RSABICNTONREJS-CKIYMEHHSA-N	1	0	615.779	2.149	1	30		KEEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997099	561833421	/nfs/dbraw/zinc/83/34/21/561833421.db2.gz	RSABICNTONREJS-XHWIWGEHSA-N	1	0	615.779	2.149	1	30		KEEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1	ZINC000026997556	561833529	/nfs/dbraw/zinc/83/35/29/561833529.db2.gz	PQMJEFKQZRCOBY-FMVCKAMOSA-N	1	0	617.795	2.037	1	30		KEEFRO
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N1)N1CC[NH2+]CC1	ZINC000026998005	561833679	/nfs/dbraw/zinc/83/36/79/561833679.db2.gz	QMTWRDGSYLQRRX-IARZGTGTSA-N	1	0	704.747	2.376	1	30		KEEFRO
C[C@@](C[NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-])(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1	ZINC000027082012	561835362	/nfs/dbraw/zinc/83/53/62/561835362.db2.gz	FQJAQQUEJLACPR-LNFMTQTQSA-N	1	0	564.731	2.214	1	30		KEEFRO
C[C@](C[NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-])(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1	ZINC000027082020	561835363	/nfs/dbraw/zinc/83/53/63/561835363.db2.gz	FQJAQQUEJLACPR-ZBKIVJSUSA-N	1	0	564.731	2.214	1	30		KEEFRO
CO[C@H]1C[C@H](C)CC2=C3N=C(NC(=[NH2+])N4CCC4)N=C3C=C(NC(=O)C(C)=CCC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O	ZINC000027212474	561847429	/nfs/dbraw/zinc/84/74/29/561847429.db2.gz	GWPFYODKIDJHEJ-FOZRHDSQSA-N	1	0	653.781	2.248	1	30		KEEFRO
CNC(N=C1N=C2C=C3NC(=O)C(C)=CCC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC(=C2N1)C3=O)=[NH+]C	ZINC000027304306	561849378	/nfs/dbraw/zinc/84/93/78/561849378.db2.gz	WMEFBCOXNXFSDR-LNCIKYFRSA-N	1	0	641.770	2.022	1	30		KEEFRO
C[n+]1c2cc(N)ccc2c2ccc(N)cc2c1-c1cccc(C(=O)NCCCCCC(=O)NCCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c1	ZINC000027322006	561852802	/nfs/dbraw/zinc/85/28/02/561852802.db2.gz	VJNVVAPKDPLESC-GDLZYMKVSA-O	1	0	684.822	2.068	1	30		KEEFRO
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CC(F)F)CC2)C1	ZINC000027522460	561864542	/nfs/dbraw/zinc/86/45/42/561864542.db2.gz	MEKRRTVQTNWFTP-GOSISDBHSA-N	1	0	528.670	2.275	1	30		KEEFRO
CC(C)(c1ccccc1)c1cccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCCC[C@H]2CO)c1	ZINC000027524075	561865401	/nfs/dbraw/zinc/86/54/01/561865401.db2.gz	GZMSHLOXDAUHID-UPVQGACJSA-N	1	0	529.707	2.086	1	30		KEEFRO
CC(C)(c1ccccc1)c1cccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N2CCCC[C@H]2CO)c1	ZINC000027524076	561865424	/nfs/dbraw/zinc/86/54/24/561865424.db2.gz	GZMSHLOXDAUHID-LADGPHEKSA-N	1	0	529.707	2.086	1	30		KEEFRO
C=C(COc1ccc2c3c1O[C@H]1[C@H](OCC(=C)C(=O)OC)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C(=O)OC	ZINC000027524097	561865407	/nfs/dbraw/zinc/86/54/07/561865407.db2.gz	GVEQIUQAUJPICN-LPBXJGNBSA-N	1	0	539.625	2.473	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN3c4cccc5c4c(ccc5CC[N+]45CC[N+](CC(=O)Nc6ccccc6)(CC4)CC5)S3(=O)=O)[C@H](C)[C@H]12	ZINC000027738916	561882275	/nfs/dbraw/zinc/88/22/75/561882275.db2.gz	MUEDANZKDOOAPQ-MEPWXOEDSA-P	1	0	701.846	2.387	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN3c4cccc5cc(CC[N+]67CC[N+](CC(=O)Nc8ccccc8)(CC6)CC7)cc(c45)S3(=O)=O)[C@H](C)[C@H]12	ZINC000027738931	561882289	/nfs/dbraw/zinc/88/22/89/561882289.db2.gz	AKYYNCXBADJNRV-MEPWXOEDSA-P	1	0	701.846	2.387	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC(C)(C)CC1	ZINC000027889609	561889821	/nfs/dbraw/zinc/88/98/21/561889821.db2.gz	JTOVETNIFDAZKZ-FQEVSTJZSA-N	1	0	502.685	2.255	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC(C)(C)CC1	ZINC000027889615	561889838	/nfs/dbraw/zinc/88/98/38/561889838.db2.gz	JTOVETNIFDAZKZ-HXUWFJFHSA-N	1	0	502.685	2.255	1	30		KEEFRO
C[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)c1ccccc1	ZINC000027894400	561890058	/nfs/dbraw/zinc/89/00/58/561890058.db2.gz	QVZSRIQXJCGDLT-PSAQOYSPSA-N	1	0	512.651	2.373	1	30		KEEFRO
CCC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cc3ccc(OC)cc3c(OC)c2)CC1	ZINC000027895366	561890206	/nfs/dbraw/zinc/89/02/06/561890206.db2.gz	DOVWBBYQOBQEMF-JOCHJYFZSA-N	1	0	519.668	2.206	1	30		KEEFRO
CCC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cc3ccc(OC)cc3c(OC)c2)CC1	ZINC000027895372	561890195	/nfs/dbraw/zinc/89/01/95/561890195.db2.gz	DOVWBBYQOBQEMF-QFIPXVFZSA-N	1	0	519.668	2.206	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N(C)Cc1ccccc1	ZINC000027895969	561890262	/nfs/dbraw/zinc/89/02/62/561890262.db2.gz	LPFMYMROAMGJBA-QFIPXVFZSA-N	1	0	510.664	2.265	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N(C)Cc1ccccc1	ZINC000027895975	561890263	/nfs/dbraw/zinc/89/02/63/561890263.db2.gz	LPFMYMROAMGJBA-JOCHJYFZSA-N	1	0	510.664	2.265	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCc2ccccc21	ZINC000027896842	561890383	/nfs/dbraw/zinc/89/03/83/561890383.db2.gz	KAHTVMNGCGSYBC-NRFANRHFSA-N	1	0	508.648	2.196	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCc2ccccc21	ZINC000027896849	561890413	/nfs/dbraw/zinc/89/04/13/561890413.db2.gz	KAHTVMNGCGSYBC-OAQYLSRUSA-N	1	0	508.648	2.196	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC1CCCCC1	ZINC000027897759	561890572	/nfs/dbraw/zinc/89/05/72/561890572.db2.gz	YXWUEIXJIHHZIA-NRFANRHFSA-N	1	0	502.685	2.303	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC1CCCCC1	ZINC000027897762	561890604	/nfs/dbraw/zinc/89/06/04/561890604.db2.gz	YXWUEIXJIHHZIA-OAQYLSRUSA-N	1	0	502.685	2.303	1	30		KEEFRO
CCC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2cccc3[N+](=O)[O-])CC1	ZINC000027899318	561890628	/nfs/dbraw/zinc/89/06/28/561890628.db2.gz	RGDTWEUYJCCBHT-LJQANCHMSA-N	1	0	504.613	2.097	1	30		KEEFRO
CCC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2cccc3[N+](=O)[O-])CC1	ZINC000027899320	561890636	/nfs/dbraw/zinc/89/06/36/561890636.db2.gz	RGDTWEUYJCCBHT-IBGZPJMESA-N	1	0	504.613	2.097	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C1	ZINC000027902516	561891031	/nfs/dbraw/zinc/89/10/31/561891031.db2.gz	ODFBYQXKNCTLMX-QFIPXVFZSA-N	1	0	508.648	2.149	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C1	ZINC000027902523	561891104	/nfs/dbraw/zinc/89/11/04/561891104.db2.gz	ODFBYQXKNCTLMX-JOCHJYFZSA-N	1	0	508.648	2.149	1	30		KEEFRO
CCC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(N(C)C)ccc3c2)CC1	ZINC000027978049	561891304	/nfs/dbraw/zinc/89/13/04/561891304.db2.gz	OLSCQWSALIZFJT-HSZRJFAPSA-N	1	0	502.685	2.255	1	30		KEEFRO
CCC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(N(C)C)ccc3c2)CC1	ZINC000027978052	561891352	/nfs/dbraw/zinc/89/13/52/561891352.db2.gz	OLSCQWSALIZFJT-QHCPKHFHSA-N	1	0	502.685	2.255	1	30		KEEFRO
CCC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(OC)c(OC)cc3c2)CC1	ZINC000027978358	561891316	/nfs/dbraw/zinc/89/13/16/561891316.db2.gz	DCRXYANDKHOKCJ-OAQYLSRUSA-N	1	0	519.668	2.206	1	30		KEEFRO
CCC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(OC)c(OC)cc3c2)CC1	ZINC000027978364	561891279	/nfs/dbraw/zinc/89/12/79/561891279.db2.gz	DCRXYANDKHOKCJ-NRFANRHFSA-N	1	0	519.668	2.206	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCCCCCC1	ZINC000027983262	561891909	/nfs/dbraw/zinc/89/19/09/561891909.db2.gz	VWQOOBFBRBXIHR-NRFANRHFSA-N	1	0	502.685	2.399	1	30		KEEFRO
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCCCCCC1	ZINC000027983266	561891903	/nfs/dbraw/zinc/89/19/03/561891903.db2.gz	VWQOOBFBRBXIHR-OAQYLSRUSA-N	1	0	502.685	2.399	1	30		KEEFRO
CCC1CCN(C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1	ZINC000027983289	561891954	/nfs/dbraw/zinc/89/19/54/561891954.db2.gz	IIYZWOIELWZHJV-OAQYLSRUSA-N	1	0	502.685	2.255	1	30		KEEFRO
CCC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1	ZINC000027983295	561891973	/nfs/dbraw/zinc/89/19/73/561891973.db2.gz	IIYZWOIELWZHJV-NRFANRHFSA-N	1	0	502.685	2.255	1	30		KEEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000028014033	561896991	/nfs/dbraw/zinc/89/69/91/561896991.db2.gz	NKPJLVMBPXZRRI-SDHOMARFSA-N	1	0	552.676	2.002	1	30		KEEFRO
C[C@]12CC[C@@H](Cc3ccccc3)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)CS2	ZINC000028016469	561897437	/nfs/dbraw/zinc/89/74/37/561897437.db2.gz	BRTLMFVNTQBWQD-NUDCOPPTSA-N	1	0	528.704	2.177	1	30		KEEFRO
C[C@]12CC[C@@H](Cc3ccccc3)C(=O)N1[C@H](C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)CS2	ZINC000028016474	561897481	/nfs/dbraw/zinc/89/74/81/561897481.db2.gz	BRTLMFVNTQBWQD-XMNZWCOLSA-N	1	0	528.704	2.177	1	30		KEEFRO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CCC[NH3+]	ZINC000028018560	561897950	/nfs/dbraw/zinc/89/79/50/561897950.db2.gz	LODWLGUGZNCDGL-SDHOMARFSA-N	1	0	510.635	2.478	1	30		KEEFRO
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC[NH3+]	ZINC000028020062	561898240	/nfs/dbraw/zinc/89/82/40/561898240.db2.gz	WXHJKSDMWKZXDV-SDHOMARFSA-N	1	0	510.635	2.478	1	30		KEEFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1	ZINC000028113531	561903346	/nfs/dbraw/zinc/90/33/46/561903346.db2.gz	NQGYWVUHSOAKGK-NNWRFLSQSA-N	1	0	563.684	2.211	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)N[C@H](C=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1	ZINC000028113536	561903418	/nfs/dbraw/zinc/90/34/18/561903418.db2.gz	NQGYWVUHSOAKGK-BVSLBCMMSA-N	1	0	563.684	2.211	1	30		KEEFRO
C[C@H](CCNS(=O)(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)NC(N)=[NH2+]	ZINC000028118703	561904224	/nfs/dbraw/zinc/90/42/24/561904224.db2.gz	ZJQWYJCPYUYOTO-CYBMUJFWSA-N	1	0	502.472	2.460	1	30		KEEFRO
COC(=O)[C@H](CCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)NC(N)=[NH2+]	ZINC000028128680	561905338	/nfs/dbraw/zinc/90/53/38/561905338.db2.gz	HZPASBBVNILQGG-INIZCTEOSA-N	1	0	510.426	2.488	1	30		KEEFRO
CNC(=O)[C@H](CCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)NC(N)=[NH2+]	ZINC000028128770	561905419	/nfs/dbraw/zinc/90/54/19/561905419.db2.gz	ORDHPQCMSCHYHM-INIZCTEOSA-N	1	0	509.442	2.061	1	30		KEEFRO
CC(=O)N1CCN(C(=O)[C@H](CCNC(=O)N2CCC(c3cc(-c4cccc(Cl)c4Cl)nn3C)CC2)NC(N)=[NH2+])CC1	ZINC000028132953	561906031	/nfs/dbraw/zinc/90/60/31/561906031.db2.gz	QXAVDJIQSJXXHQ-NRFANRHFSA-N	1	0	606.559	2.006	1	30		KEEFRO
CN(C)C(=O)[C@H](CCNC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)NC(N)=[NH2+]	ZINC000028133017	561906066	/nfs/dbraw/zinc/90/60/66/561906066.db2.gz	ZXRPIAMVXJZDMP-KRWDZBQOSA-N	1	0	523.469	2.403	1	30		KEEFRO
Cn1nc(-c2cccc(Cl)c2Cl)cc1C1CCN(S(=O)(=O)NCCCCNC(N)=[NH2+])CC1	ZINC000028133620	561906138	/nfs/dbraw/zinc/90/61/38/561906138.db2.gz	ADISMBDGXHSLNK-UHFFFAOYSA-N	1	0	502.472	2.461	1	30		KEEFRO
CC[C@H](C=O)NC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc3ccccc3c2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(C)C)C(C)C	ZINC000028364655	561917352	/nfs/dbraw/zinc/91/73/52/561917352.db2.gz	LWIBJZNLJHNRET-ZNOUKXQUSA-O	1	0	659.764	2.166	1	30		KEEFRO
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc3ccccc3c2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(C)C)C(C)C	ZINC000028364662	561917266	/nfs/dbraw/zinc/91/72/66/561917266.db2.gz	LWIBJZNLJHNRET-RULDIGERSA-O	1	0	659.764	2.166	1	30		KEEFRO
CC[C@H](C=O)NC(=O)[C@@H]1C[C@H](OC(=O)c2ccc3ccccc3c2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(C)C)C(C)C	ZINC000028364669	561917257	/nfs/dbraw/zinc/91/72/57/561917257.db2.gz	LWIBJZNLJHNRET-MZBLVXSRSA-O	1	0	659.764	2.166	1	30		KEEFRO
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](OC(=O)c2ccc3ccccc3c2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(C)C)C(C)C	ZINC000028364676	561917252	/nfs/dbraw/zinc/91/72/52/561917252.db2.gz	LWIBJZNLJHNRET-IIZANFQQSA-O	1	0	659.764	2.166	1	30		KEEFRO
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCNC(N)=[NH2+]	ZINC000028571975	561939630	/nfs/dbraw/zinc/93/96/30/561939630.db2.gz	VXVQZXYFPLAEJW-NLSYYIHOSA-N	1	0	628.774	2.407	1	30		KEEFRO
CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2[nH]1	ZINC000028765132	561959402	/nfs/dbraw/zinc/95/94/02/561959402.db2.gz	KVXVTDMKMAHAKT-NXCFDTQHSA-N	1	0	616.767	2.439	1	30		KEEFRO
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CC[NH2+]CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC[C@@H](C)CC	ZINC000028772031	561961584	/nfs/dbraw/zinc/96/15/84/561961584.db2.gz	ZAUCFWTWRBZAIR-JSRHHAARSA-N	1	0	710.889	2.220	1	30		KEEFRO
Cn1cncc1CN1C[C@@H](N(CC2CC[NH2+]CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21	ZINC000028815009	561961918	/nfs/dbraw/zinc/96/19/18/561961918.db2.gz	KPIILBBRAGLYRF-QHCPKHFHSA-N	1	0	505.648	2.309	1	30		KEEFRO
Cn1cncc1CN1C[C@H](N(CC2CC[NH2+]CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21	ZINC000028815011	561961996	/nfs/dbraw/zinc/96/19/96/561961996.db2.gz	KPIILBBRAGLYRF-HSZRJFAPSA-N	1	0	505.648	2.309	1	30		KEEFRO
Cn1cnc(S(=O)(=O)N(CC[NH+]2CCCCC2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1	ZINC000028815298	561962360	/nfs/dbraw/zinc/96/23/60/561962360.db2.gz	UAEZOGQVHWTHDN-QHCPKHFHSA-N	1	0	522.679	2.133	1	30		KEEFRO
Cn1cnc(S(=O)(=O)N(CC[NH+]2CCCCC2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1	ZINC000028815300	561962389	/nfs/dbraw/zinc/96/23/89/561962389.db2.gz	UAEZOGQVHWTHDN-HSZRJFAPSA-N	1	0	522.679	2.133	1	30		KEEFRO
C=CC[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028816951	561964433	/nfs/dbraw/zinc/96/44/33/561964433.db2.gz	CNKQDBMEOMZSGP-ORYMTKCHSA-N	1	0	611.743	2.010	1	30		KEEFRO
N#Cc1ccc(C=CC(=O)Nc2n[nH]c(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc3ccccc3)C(N)=O)n2)cc1	ZINC000029216346	562006484	/nfs/dbraw/zinc/00/64/84/562006484.db2.gz	YFBAKGZIGSFAHY-QCFXJULJSA-N	1	0	738.854	2.007	1	30		KEEFRO
CC(=Cc1ccccc1)C(=O)Nc1n[nH]c(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1	ZINC000029218972	562006933	/nfs/dbraw/zinc/00/69/33/562006933.db2.gz	NVAIYMVSMZKECH-SAYPORNDSA-N	1	0	727.871	2.316	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2ccccc2)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029219042	562006990	/nfs/dbraw/zinc/00/69/90/562006990.db2.gz	YAUKIYSZEKDQNW-URFKUNIZSA-N	1	0	713.844	2.136	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2ccc(F)cc2)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029219222	562006965	/nfs/dbraw/zinc/00/69/65/562006965.db2.gz	PNHFLSSJSUEMCY-NIDMRMLBSA-N	1	0	731.834	2.275	1	30		KEEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1	ZINC000029251383	562011270	/nfs/dbraw/zinc/01/12/70/562011270.db2.gz	WIOLLGYPCJSTSN-VDVKDMFPSA-N	1	0	552.676	2.002	1	30		KEEFRO
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)N[C@H](CC=O)Cc1ccccc1	ZINC000029251397	562011238	/nfs/dbraw/zinc/01/12/38/562011238.db2.gz	JUBVWCCZSZVBDN-QUKDMSEQSA-N	1	0	566.703	2.182	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1csc([C@@H](N)Cc2ccc(F)cc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029392184	562017680	/nfs/dbraw/zinc/01/76/80/562017680.db2.gz	SXCUCSIDGFMRKY-DZUOILHNSA-N	1	0	721.904	2.345	1	30		KEEFRO
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CC[NH+]1CCCCC1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000029484946	562028141	/nfs/dbraw/zinc/02/81/41/562028141.db2.gz	SRAZWOHFMGZRFN-ATPGOKIXSA-N	1	0	507.668	2.376	1	30		KEEFRO
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(=O)CC[NH+]1CCCCC1)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000029549869	562030807	/nfs/dbraw/zinc/03/08/07/562030807.db2.gz	MUVWJVWBHINCRS-ATPGOKIXSA-N	1	0	507.668	2.376	1	30		KEEFRO
CCNC(=[NH2+])NCCC[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N1CCCCC1	ZINC000029570803	562035639	/nfs/dbraw/zinc/03/56/39/562035639.db2.gz	SKIQSXUMPVXFMD-OAQYLSRUSA-N	1	0	502.685	2.270	1	30		KEEFRO
CCNC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N1CCCCC1	ZINC000029570806	562035642	/nfs/dbraw/zinc/03/56/42/562035642.db2.gz	SKIQSXUMPVXFMD-NRFANRHFSA-N	1	0	502.685	2.270	1	30		KEEFRO
CC(C)[C@H](NC(=O)N[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000036184938	562050678	/nfs/dbraw/zinc/05/06/78/562050678.db2.gz	QCIZENPIPUNZBG-QWFUGVESSA-N	1	0	519.716	2.259	1	30		KEEFRO
CC(C)[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000036184939	562050628	/nfs/dbraw/zinc/05/06/28/562050628.db2.gz	QCIZENPIPUNZBG-QSMSVPEVSA-N	1	0	519.716	2.259	1	30		KEEFRO
CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000036184940	562050679	/nfs/dbraw/zinc/05/06/79/562050679.db2.gz	OVPSNTJGDADLHI-JLSDUUJJSA-N	1	0	505.620	2.088	1	30		KEEFRO
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000036285871	562054507	/nfs/dbraw/zinc/05/45/07/562054507.db2.gz	SJRCSWXLNHDZIX-SVBPBHIXSA-N	1	0	560.674	2.362	1	30		KEEFRO
CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1	ZINC000036349068	562057811	/nfs/dbraw/zinc/05/78/11/562057811.db2.gz	VZQIFSVHODDZIN-QFIPXVFZSA-N	1	0	564.749	2.452	1	30		KEEFRO
CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)[NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1	ZINC000036349072	562057846	/nfs/dbraw/zinc/05/78/46/562057846.db2.gz	VZQIFSVHODDZIN-JOCHJYFZSA-N	1	0	564.749	2.452	1	30		KEEFRO
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCC(=O)ONc4cc(C(=O)NCCC[NH+](C)C)n(COC)c4)cc2cc1C3	ZINC000038377681	562071642	/nfs/dbraw/zinc/07/16/42/562071642.db2.gz	OUCJUOXGHQDEQZ-UMSFTDKQSA-N	1	0	674.711	2.116	1	30		KEEFRO
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCC(=O)ONc4cc(C(=O)NCCC[NH+](C)C)n(COC)c4)cc2cc1C3	ZINC000038377682	562071651	/nfs/dbraw/zinc/07/16/51/562071651.db2.gz	OUCJUOXGHQDEQZ-UUWRZZSWSA-N	1	0	674.711	2.116	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C([C@H]3CC[NH2+]3)C(=C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000043061473	562645216	/nfs/dbraw/zinc/64/52/16/562645216.db2.gz	DCQPVQNXGGXXQQ-RLKBMGNLSA-N	1	0	585.698	2.166	1	30		KEEFRO
CC(=O)C[N+]12CC[N+](Cc3ccc4c(c3)C(=O)c3ccc(C5=C(C(=O)[O-])N6C(=O)[C@H]([C@@H](C)O)[C@H]6C5)cc3-4)(CC1)CC2	ZINC000043834460	562650988	/nfs/dbraw/zinc/65/09/88/562650988.db2.gz	IIPSGNHTNBCSRS-UHNRRYHRSA-O	1	0	557.647	2.055	1	30		KEEFRO
CCCNC(=O)C[N+]12CC[N+](Cc3ccc4c(c3)C(=O)c3ccc(C5=C(C(=O)[O-])N6C(=O)[C@H]([C@@H](C)O)[C@H]6[C@H]5C)cc3-4)(CC1)CC2	ZINC000043845722	562651010	/nfs/dbraw/zinc/65/10/10/562651010.db2.gz	VSYTZUUUABIVIA-KYSFGLEQSA-P	1	0	614.743	2.238	1	30		KEEFRO
CC(C)NC(=O)C[N+]12CC[N+](Cc3ccc4c(c3)C(=O)c3ccc(C5=C(C(=O)[O-])N6C(=O)[C@H]([C@@H](C)O)[C@H]6[C@H]5C)cc3-4)(CC1)CC2	ZINC000043845854	562651015	/nfs/dbraw/zinc/65/10/15/562651015.db2.gz	RPMKXYGFHLWMJK-KYSFGLEQSA-P	1	0	614.743	2.237	1	30		KEEFRO
COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H](C)C(=O)N[C@@H](CCC[NH3+])C(N)=O)C2=O)cc(OC)c1O	ZINC000044406786	562656967	/nfs/dbraw/zinc/65/69/67/562656967.db2.gz	LFBOCFQVGOCLCG-MLRCLRLUSA-N	1	0	541.630	2.111	1	30		KEEFRO
CCn1c(-c2nonc2N)nc2c1c(OCC[NH2+]CCc1ccc(OC)cc1)cnc2C#CC(C)(C)O	ZINC000045202293	562659146	/nfs/dbraw/zinc/65/91/46/562659146.db2.gz	OQVAILNFDNXAKO-UHFFFAOYSA-N	1	0	505.579	2.426	1	30		KEEFRO
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c1[nH+]ccc2N1CCC(C(=O)N2CCN(CCO)CC2)CC1	ZINC000049071845	562664220	/nfs/dbraw/zinc/66/42/20/562664220.db2.gz	LRWLSMIVBWZTPN-ULJHMMPZSA-N	1	0	531.613	2.248	1	30		KEEFRO
COC[C@H]1OC(=O)C(CN(C)CCC[NH+](C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000049745527	562673891	/nfs/dbraw/zinc/67/38/91/562673891.db2.gz	YDFKITVDFUHUQY-PJBFNBMSSA-N	1	0	546.661	2.136	1	30		KEEFRO
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(C#CCCCCc1cn(CCCC[NH3+])nn1)nc3NCc1cccc(Cl)c1)[C@H](O)[C@@H]2O	ZINC000049767145	562677385	/nfs/dbraw/zinc/67/73/85/562677385.db2.gz	YBWBPVDIYJGYAO-IDFWRWHYSA-N	1	0	647.184	2.216	1	30		KEEFRO
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO	ZINC000049772308	562678536	/nfs/dbraw/zinc/67/85/36/562678536.db2.gz	AEEUCDDHSDVQCD-CRGCSIJASA-N	1	0	583.763	2.223	1	30		KEEFRO
CCCCCCCCCCCCCCCC(=O)N1[C@@H](CC[NH3+])O[C@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1C(=O)OC	ZINC000049777785	562680503	/nfs/dbraw/zinc/68/05/03/562680503.db2.gz	HQIXGWLHJGMTBO-JMNSCLOYSA-N	1	0	624.776	2.081	1	30		KEEFRO
CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC[NH3+]	ZINC000049780409	562681742	/nfs/dbraw/zinc/68/17/42/562681742.db2.gz	OQFJYMRYNPYHTC-DTXPUJKBSA-N	1	0	666.824	2.353	1	30		KEEFRO
CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCC[NH3+])O[C@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1C(=O)OC	ZINC000049783748	562683207	/nfs/dbraw/zinc/68/32/07/562683207.db2.gz	ZZGQXELVHUCJNF-UREGFOCQSA-N	1	0	638.803	2.471	1	30		KEEFRO
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CC[NH3+])N1C(C)=O	ZINC000049783753	562683199	/nfs/dbraw/zinc/68/31/99/562683199.db2.gz	MXUMCATYVMHMRE-HUPXKUDWSA-N	1	0	637.819	2.044	1	30		KEEFRO
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CCC[NH3+])N1C(C)=O	ZINC000049784695	562683706	/nfs/dbraw/zinc/68/37/06/562683706.db2.gz	VXCDEHOCSGPCNN-ZUMCCQCYSA-N	1	0	651.846	2.434	1	30		KEEFRO
N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)[C@H](C[NH+]3CCCC3)C2)c1	ZINC000049881897	562691240	/nfs/dbraw/zinc/69/12/40/562691240.db2.gz	UEUUMCKDBZXZNF-HXUWFJFHSA-N	1	0	544.033	2.117	1	30		KEEFRO
N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000049881898	562691242	/nfs/dbraw/zinc/69/12/42/562691242.db2.gz	UEUUMCKDBZXZNF-FQEVSTJZSA-N	1	0	544.033	2.117	1	30		KEEFRO
C=C1CO[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H]([NH+](C)C)[C@H]3O)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)OC1	ZINC000049888864	562691535	/nfs/dbraw/zinc/69/15/35/562691535.db2.gz	GTJQZFKMVAAENN-VRIACTIJSA-N	1	0	627.816	2.479	1	30		KEEFRO
C=CCO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O	ZINC000049892861	562692234	/nfs/dbraw/zinc/69/22/34/562692234.db2.gz	RQMUXJUBZYVKJT-UJEHQETKSA-N	1	0	613.789	2.279	1	30		KEEFRO
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000049942307	562695433	/nfs/dbraw/zinc/69/54/33/562695433.db2.gz	AIVKUJJDLDHLNN-WLPVSNDTSA-N	1	0	734.877	2.171	1	30		KEEFRO
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000049942308	562695469	/nfs/dbraw/zinc/69/54/69/562695469.db2.gz	AIVKUJJDLDHLNN-NWJWHWDBSA-N	1	0	734.877	2.171	1	30		KEEFRO
[NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC([O-])=CCCn1cc(C[NH3+])nn1	ZINC000058581753	562699846	/nfs/dbraw/zinc/69/98/46/562699846.db2.gz	VATHOEWSWNWXKL-GDLZYMKVSA-N	1	0	639.761	2.067	1	30		KEEFRO
COC[C@H]1O[C@@H](OCc2ccc(Cl)cc2)[C@H](NC(=O)CCCNC(N)=[NH2+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064274670	562704682	/nfs/dbraw/zinc/70/46/82/562704682.db2.gz	WDVDEDHSFRBZNL-KUEHFBCJSA-N	1	0	569.486	2.366	1	30		KEEFRO
COC[C@H]1O[C@H](OCc2ccc(Cl)cc2)[C@H](NC(=O)CCCNC(N)=[NH2+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064274674	562704709	/nfs/dbraw/zinc/70/47/09/562704709.db2.gz	WDVDEDHSFRBZNL-MRPKTGBJSA-N	1	0	569.486	2.366	1	30		KEEFRO
COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CNC(N)=[NH2+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064415810	562705006	/nfs/dbraw/zinc/70/50/06/562705006.db2.gz	TVYZVZKXWZCIIM-FZTDQTOTSA-N	1	0	557.047	2.086	1	30		KEEFRO
COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CNC(N)=[NH2+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064415811	562705013	/nfs/dbraw/zinc/70/50/13/562705013.db2.gz	TVYZVZKXWZCIIM-GDFOLFDLSA-N	1	0	557.047	2.086	1	30		KEEFRO
CC[NH+]1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3F)n2)CC1	ZINC000064550032	562708196	/nfs/dbraw/zinc/70/81/96/562708196.db2.gz	NSKDLLYTWJVRPJ-JGCGQSQUSA-N	1	0	598.635	2.330	1	30		KEEFRO
NC(=NC(=O)NCCCC[NH3+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000071329769	562718983	/nfs/dbraw/zinc/71/89/83/562718983.db2.gz	YJNCRRHFYYPOPG-HHHXNRCGSA-N	1	0	587.725	2.458	1	30		KEEFRO
CC(=O)N[C@@H](CCCC[NH+]=C(N(C)C)N(C)C)C(=O)N[C@@H](Cc1c2ccccc2[nH]c1Sc1ncccc1[N+](=O)[O-])C(N)=O	ZINC000071340801	562719864	/nfs/dbraw/zinc/71/98/64/562719864.db2.gz	LFLNSIPUTHGELC-GOTSBHOMSA-N	1	0	625.756	2.289	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[N+]56CC[N+](CC(=O)Nc7ccc(C(N)=O)cc7)(CC5)CC6)cc3C4=O)[C@H](C)[C@H]12	ZINC000072113970	562722550	/nfs/dbraw/zinc/72/25/50/562722550.db2.gz	RPMZBNOOOHPHEF-BZSFZXLYSA-P	1	0	691.785	2.450	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[N+]56CC[N+](CC(=O)Nc7ccccc7C(N)=O)(CC5)CC6)cc3C4=O)[C@H](C)[C@H]12	ZINC000072115301	562722967	/nfs/dbraw/zinc/72/29/67/562722967.db2.gz	JJYHXJKTUCSRRQ-BZSFZXLYSA-P	1	0	691.785	2.450	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[N+]56CC[N+](CC(=O)Nc7cccc(C(N)=O)c7)(CC5)CC6)cc3C4=O)[C@H](C)[C@H]12	ZINC000072115327	562722998	/nfs/dbraw/zinc/72/29/98/562722998.db2.gz	SHRNJICWSODVPH-BZSFZXLYSA-P	1	0	691.785	2.450	1	30		KEEFRO
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H]([NH3+])Cc2ccccc2)cc1	ZINC000072120585	562724092	/nfs/dbraw/zinc/72/40/92/562724092.db2.gz	YSVJXJIRUPBXEP-DQEYMECFSA-N	1	0	518.570	2.041	1	30		KEEFRO
CC[C@H](C)[C@H](NC(=O)C1CC[NH2+]CC1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000072120586	562724117	/nfs/dbraw/zinc/72/41/17/562724117.db2.gz	GMQMSPKSMHJNIT-OOXLZHEQSA-N	1	0	595.697	2.002	1	30		KEEFRO
N#Cc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000072178028	562731970	/nfs/dbraw/zinc/73/19/70/562731970.db2.gz	UKHADIJBUYJNGB-SXOMAYOGSA-N	1	0	572.691	2.180	1	30		KEEFRO
CCCCCCCCCCCCCCO[P@@](=O)(CC[NH+]1C[C@@H](O)[C@H](O)C1)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000073195977	562734967	/nfs/dbraw/zinc/73/49/67/562734967.db2.gz	SPZZFUZAORXPLX-CXQKWTRHSA-N	1	0	633.720	2.121	1	30		KEEFRO
CCCCCCCCCCCCCCO[P@](=O)(CC[NH+]1C[C@@H](O)[C@H](O)C1)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000073195978	562735003	/nfs/dbraw/zinc/73/50/03/562735003.db2.gz	SPZZFUZAORXPLX-AWLDKYSKSA-N	1	0	633.720	2.121	1	30		KEEFRO
CS(=O)(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C#C[C@]4(O)C[NH+]5CCC4CC5)cc3)cc2)CC1	ZINC000073220483	562736236	/nfs/dbraw/zinc/73/62/36/562736236.db2.gz	WHUKRVZMYYJSJL-NDEPHWFRSA-N	1	0	523.655	2.441	1	30		KEEFRO
COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(N4CCC[C@H]([NH3+])C4)n3Cc3ccccc3)n(C)c2=O)c1	ZINC000073274429	562737226	/nfs/dbraw/zinc/73/72/26/562737226.db2.gz	YSWYESAJMAXMOW-NRFANRHFSA-N	1	0	526.597	2.241	1	30		KEEFRO
COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(N4CCC[C@H]([NH3+])C4)n3CC=C(C)C)n(C)c2=O)c1	ZINC000073274436	562737230	/nfs/dbraw/zinc/73/72/30/562737230.db2.gz	KRMBZIKXHYHITN-IBGZPJMESA-N	1	0	504.591	2.159	1	30		KEEFRO
COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(N4CCC[NH2+]CC4)n3CC=C(C)C)n(C)c2=O)c1	ZINC000073281033	562737501	/nfs/dbraw/zinc/73/75/01/562737501.db2.gz	UHCGBYNFQULPRR-UHFFFAOYSA-N	1	0	504.591	2.031	1	30		KEEFRO
CC(C)=CCn1c2c(c(C#N)c1N1CCC[NH2+]CC1)n(C)c(=O)n(Cc1nc(C)c3ccccc3n1)c2=O	ZINC000073292266	562737514	/nfs/dbraw/zinc/73/75/14/562737514.db2.gz	BDGAXEZYOOOOBQ-UHFFFAOYSA-N	1	0	512.618	2.439	1	30		KEEFRO
Nc1nc(NCCCOC(=O)CCc2ccc(S(=O)(=O)n3c(C4(O)C=CC(=O)C=C4)cc4ccccc43)cc2)nc(N)[nH+]1	ZINC000082152730	562740125	/nfs/dbraw/zinc/74/01/25/562740125.db2.gz	JUBXAAPXSNLPJO-UHFFFAOYSA-N	1	0	603.661	2.088	1	30		KEEFRO
C=CCO[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)NC(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@H]1C	ZINC000082159940	562741146	/nfs/dbraw/zinc/74/11/46/562741146.db2.gz	XMQXHMIBXSGVSA-VGNQEJHBSA-N	1	0	644.847	2.024	1	30		KEEFRO
NC(N)=NS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH+]c4ccccc4c(Nc4ccc(S(=O)(=O)N=C(N)N)cc4)c3c2)cc1	ZINC000082170678	562741481	/nfs/dbraw/zinc/74/14/81/562741481.db2.gz	MJRGSCANZGBDIF-UHFFFAOYSA-N	1	0	631.700	2.308	1	30		KEEFRO
C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(=O)c7ccccc7)[C@@H](OC(C)=O)[C@]57[C@@H]([C@H]2[C@@H](O)[C@H]1[C@@H](OC(C)=O)[C@H]37)[N@@H+]4[C@H]6O	ZINC000084652760	562746645	/nfs/dbraw/zinc/74/66/45/562746645.db2.gz	HPZCKTUZVQUMAM-AEVXSNGSSA-N	1	0	549.620	2.060	1	30		KEEFRO
C=C1C[C@@]23[C@H]4[C@@H]5[C@]6(C[C@@H](OC(=O)C(C)C)C[C@@]7(C)[C@H](O)[N+]5(C)[C@H]([C@H]76)[C@@H]2O)[C@@H]3[C@H](O)[C@@H]1[C@@H]4OC(=O)[C@@H](C)CC	ZINC000084707233	717135882	/nfs/dbraw/zinc/13/58/82/717135882.db2.gz	KMPBUNVGWZMINE-HLGYQLRYSA-N	1	0	530.682	2.002	1	30		KEEFRO
C[C@@H]1[NH2+][C@H](C[C@@H](CC=O)CCCCCCC[C@](O)(C[NH2+][C@@]2(C)CCN[C@H](N)C2)CC(=O)[O-])CC[C@H]1O	ZINC000085487938	560075985	/nfs/dbraw/zinc/07/59/85/560075985.db2.gz	SXSSUMDPZHSDKV-GZHURBTASA-N	1	0	512.736	2.036	1	30	biogenic,in-vitro	KEEFRO
CC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nccs2)cc1	ZINC000085562703	562753306	/nfs/dbraw/zinc/75/33/06/562753306.db2.gz	VTVNNUOEZURCAS-RWSKJCERSA-N	1	0	746.916	2.281	1	30		KEEFRO
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3OCCNC(N)=[NH2+])c(Cc3cccc(CO)c3C=O)c(O)c1C2=O	ZINC000085593258	291735121	/nfs/dbraw/zinc/73/51/21/291735121.db2.gz	JHCQGJNIZHTSEW-WJOCSDNGSA-N	1	0	809.825	2.155	1	30	biogenic,in-vitro	KEEFRO
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)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	ZINC000085593424	565149486	/nfs/dbraw/zinc/14/94/86/565149486.db2.gz	GRDYXZLXXHPNOL-ITAVFTQWSA-N	1	0	645.665	2.076	1	30	biogenic,in-vitro	KEEFRO
CC(C)CNC(=[NH2+])NCC[C@H]1Cc2c3cc(c(O)c2O[C@@H]1O)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC3	ZINC000085626439	291736262	/nfs/dbraw/zinc/73/62/62/291736262.db2.gz	YRWDQJVSYNVMDC-XXUFBJKNSA-N	1	0	609.720	2.039	1	30	biogenic,in-vitro	KEEFRO
COc1c(O)ccc2c1C#CCc1cc(c3c(c1O)OC[C@H](CCNC(N)=[NH2+])C3)CC[C@@H](O)CC(=O)CC2	ZINC000085626600	560069095	/nfs/dbraw/zinc/06/90/95/560069095.db2.gz	FHVSXUJKBVARHH-VGOFRKELSA-N	1	0	521.614	2.114	1	30	biogenic,in-vitro	KEEFRO
C=C1C[C@](COc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCNC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)n(C)n2)(c2ccccc2)OC1=O	ZINC000095539724	562755237	/nfs/dbraw/zinc/75/52/37/562755237.db2.gz	IQEJEHVFNPFQFV-LHEWISCISA-N	1	0	778.831	2.183	1	30		KEEFRO
C=C1C[C@@](COc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCNC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)n(C)n2)(c2ccccc2)OC1=O	ZINC000095539725	562755236	/nfs/dbraw/zinc/75/52/36/562755236.db2.gz	IQEJEHVFNPFQFV-KXQOOQHDSA-N	1	0	778.831	2.183	1	30		KEEFRO
C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCCNC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n(C)c1	ZINC000095539875	562755340	/nfs/dbraw/zinc/75/53/40/562755340.db2.gz	WOCPOGWGCUPMEC-UHFFFAOYSA-N	1	0	751.647	2.428	1	30		KEEFRO
C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(NC)=[NH+]C)n(C)c4)n(C)c3)n(C)c2)n(C)c1	ZINC000095540091	562755504	/nfs/dbraw/zinc/75/55/04/562755504.db2.gz	SKNFKLQWJVNWPA-UHFFFAOYSA-N	1	0	751.647	2.169	1	30		KEEFRO
C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCNC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n(C)c1	ZINC000095540137	562755535	/nfs/dbraw/zinc/75/55/35/562755535.db2.gz	NHPZKEINPOKDLI-UHFFFAOYSA-N	1	0	737.620	2.038	1	30		KEEFRO
CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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	ZINC000095542908	562756957	/nfs/dbraw/zinc/75/69/57/562756957.db2.gz	MKJYOULUARVHOV-YRCZKMHPSA-N	1	0	772.351	2.373	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccc2c(c1)OCO2	ZINC000095554104	562761172	/nfs/dbraw/zinc/76/11/72/562761172.db2.gz	LFOULBUVHVTXRQ-FHGVHELMSA-N	1	0	666.735	2.090	1	30		KEEFRO
C[NH+](C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](COS(C)(=O)=O)c4c3cc([N+](=O)[O-])c3cc(S(=O)(=O)NCCO)ccc43)cc2c1	ZINC000095555069	562761445	/nfs/dbraw/zinc/76/14/45/562761445.db2.gz	IVFCAGVWLQHJFV-LJQANCHMSA-N	1	0	675.742	2.161	1	30		KEEFRO
C[NH+](C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](COS(C)(=O)=O)c4c3cc([N+](=O)[O-])c3cc(S(=O)(=O)NCCO)ccc43)cc2c1	ZINC000095555070	562761472	/nfs/dbraw/zinc/76/14/72/562761472.db2.gz	IVFCAGVWLQHJFV-IBGZPJMESA-N	1	0	675.742	2.161	1	30		KEEFRO
Cc1nc(N)sc1CCCNC(=[NH2+])NC(=O)CCCCCCC(=O)N=C(N)NCCCc1sc(N)nc1C	ZINC000095555676	562761593	/nfs/dbraw/zinc/76/15/93/562761593.db2.gz	SFWHKNCKBDIXLZ-UHFFFAOYSA-N	1	0	564.786	2.358	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccc(F)cc1	ZINC000095556447	562761796	/nfs/dbraw/zinc/76/17/96/562761796.db2.gz	OPLCYWPYFIJWRN-MUFAAYGBSA-N	1	0	640.716	2.500	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)C1)c1ccco1	ZINC000095589979	562775126	/nfs/dbraw/zinc/77/51/26/562775126.db2.gz	RIAOSVMITNWHAH-XDERILFOSA-N	1	0	640.741	2.428	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1)c1ccccc1	ZINC000095590117	562775172	/nfs/dbraw/zinc/77/51/72/562775172.db2.gz	AGAQXKAFDAOXKW-GLWIQRGKSA-N	1	0	622.726	2.218	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1)c1ccccc1	ZINC000095591457	562775642	/nfs/dbraw/zinc/77/56/42/562775642.db2.gz	AGAQXKAFDAOXKW-FSYRHIKOSA-N	1	0	622.726	2.218	1	30		KEEFRO
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)C1)c1ccco1	ZINC000095592056	562775824	/nfs/dbraw/zinc/77/58/24/562775824.db2.gz	RIAOSVMITNWHAH-HFASDWQVSA-N	1	0	640.741	2.428	1	30		KEEFRO
COCC#Cc1ccc2c(c1)O[C@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O	ZINC000095599206	562777864	/nfs/dbraw/zinc/77/78/64/562777864.db2.gz	RYIFWOIJOZENBD-CUVVAGTFSA-N	1	0	530.643	2.314	1	30		KEEFRO
C=CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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	ZINC000095606601	562782209	/nfs/dbraw/zinc/78/22/09/562782209.db2.gz	MIXOOSFLMRUUSE-YRCZKMHPSA-N	1	0	756.308	2.113	1	30		KEEFRO
CCCCCCCCC(=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	ZINC000095606706	562782340	/nfs/dbraw/zinc/78/23/40/562782340.db2.gz	UHJKAYUBNMRGHO-KMSCUOMXSA-N	1	0	783.979	2.148	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095608797	562783730	/nfs/dbraw/zinc/78/37/30/562783730.db2.gz	JKJQIKBJVOJXEW-FIVJMQNTSA-N	1	0	758.841	2.044	1	30		KEEFRO
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000095611008	562784724	/nfs/dbraw/zinc/78/47/24/562784724.db2.gz	YGYYUBDVWOVUIR-DDNBRGALSA-N	1	0	709.878	2.310	1	30		KEEFRO
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000095611009	562784751	/nfs/dbraw/zinc/78/47/51/562784751.db2.gz	YGYYUBDVWOVUIR-BCQKWNEZSA-N	1	0	709.878	2.310	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095611942	562785159	/nfs/dbraw/zinc/78/51/59/562785159.db2.gz	CWFFBAZLZHIIGR-FTGFBZEVSA-N	1	0	758.841	2.044	1	30		KEEFRO
CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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	ZINC000095612380	562785457	/nfs/dbraw/zinc/78/54/57/562785457.db2.gz	JBHAIRRLXKTNIC-YRCZKMHPSA-N	1	0	758.324	2.127	1	30		KEEFRO
COP(=O)(N[C@@H](Cc1ccc(Cl)cc1)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)OC	ZINC000095614719	562786830	/nfs/dbraw/zinc/78/68/30/562786830.db2.gz	FRLWNJNLNAJEOE-YDPTYEFTSA-N	1	0	796.266	2.202	1	30		KEEFRO
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO	ZINC000095614727	562786866	/nfs/dbraw/zinc/78/68/66/562786866.db2.gz	KEPPJQCQVJPFII-QCYRSXNMSA-N	1	0	728.880	2.500	1	30		KEEFRO
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C[NH+](C)C)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O	ZINC000095715166	562788647	/nfs/dbraw/zinc/78/86/47/562788647.db2.gz	AUCCPWLHGTYGPJ-IMWIBFENSA-N	1	0	514.648	2.014	1	30		KEEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N4CCN(c5cc[nH+]cc5)CC4)ccc3OC)NC(=O)NC1=O)C2	ZINC000096173674	562791518	/nfs/dbraw/zinc/79/15/18/562791518.db2.gz	CYDOZHIVEFAYQX-SSEXGKCCSA-N	1	0	567.606	2.246	1	30		KEEFRO
CC[NH+]1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)n2)CC1	ZINC000096173759	562791522	/nfs/dbraw/zinc/79/15/22/562791522.db2.gz	CQYNQICIXCKTTL-JGCGQSQUSA-N	1	0	580.645	2.190	1	30		KEEFRO
C[NH+](C)CCNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1	ZINC000096176127	562792072	/nfs/dbraw/zinc/79/20/72/562792072.db2.gz	UXEQNNFAEAJGCK-UHFFFAOYSA-N	1	0	517.540	2.268	1	30		KEEFRO
C[N@@H+]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000096176131	562792066	/nfs/dbraw/zinc/79/20/66/562792066.db2.gz	BTTZMTXDGNOSAF-FQEVSTJZSA-N	1	0	529.551	2.411	1	30		KEEFRO
C[NH+]1CCN(c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176138	562792060	/nfs/dbraw/zinc/79/20/60/562792060.db2.gz	YJGUIWIHYAVJEN-UHFFFAOYSA-N	1	0	529.551	2.046	1	30		KEEFRO
O=C(NCC#Cc1ccc2ncc(NC3CC[NH2+]CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000096176141	562792063	/nfs/dbraw/zinc/79/20/63/562792063.db2.gz	BJMZWEDICPWKLZ-UHFFFAOYSA-N	1	0	529.551	2.458	1	30		KEEFRO
C[NH+](C)C[C@H](O)COc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176210	562792216	/nfs/dbraw/zinc/79/22/16/562792216.db2.gz	ODOOPFQPFZRZLH-NRFANRHFSA-N	1	0	547.562	2.201	1	30		KEEFRO
C[NH+](C)CCNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176267	562792282	/nfs/dbraw/zinc/79/22/82/562792282.db2.gz	LSRIRCRWNFXIHX-UHFFFAOYSA-N	1	0	517.540	2.268	1	30		KEEFRO
O=C(NCC#Cc1ccc2ncnc(NC3CC[NH+](CCO)CC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000096176281	562792290	/nfs/dbraw/zinc/79/22/90/562792290.db2.gz	WCNLDXWWUZAGEU-UHFFFAOYSA-N	1	0	573.604	2.163	1	30		KEEFRO
C[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000096176341	562792387	/nfs/dbraw/zinc/79/23/87/562792387.db2.gz	QOQJFNLFVHFFBG-HSZRJFAPSA-N	1	0	556.573	2.333	1	30		KEEFRO
C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C	ZINC000096285521	562795783	/nfs/dbraw/zinc/79/57/83/562795783.db2.gz	UMTKRFKKIISTSA-LPBFERMMSA-N	1	0	627.727	2.303	1	30		KEEFRO
C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc32)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C	ZINC000096285529	562795787	/nfs/dbraw/zinc/79/57/87/562795787.db2.gz	KAOBYIPCGFGNBY-CLWPXKJUSA-N	1	0	591.690	2.126	1	30		KEEFRO
C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc32)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C	ZINC000096285531	562795792	/nfs/dbraw/zinc/79/57/92/562795792.db2.gz	JQUOOERRWMBNQL-JVAKCPTJSA-N	1	0	575.691	2.426	1	30		KEEFRO
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)O/N=C/[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096307110	562796408	/nfs/dbraw/zinc/79/64/08/562796408.db2.gz	NMRYLHDHZKSYSM-HMBHGIDESA-N	1	0	571.678	2.080	1	30		KEEFRO
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)O/N=C/[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096307112	562796390	/nfs/dbraw/zinc/79/63/90/562796390.db2.gz	NMRYLHDHZKSYSM-CDGOGTOCSA-N	1	0	571.678	2.080	1	30		KEEFRO
CC(=O)NCCC(=O)NCCC[N@@H+](C)CCCNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000096307577	562796355	/nfs/dbraw/zinc/79/63/55/562796355.db2.gz	XGIUJUFWLVQALN-ZWCOQVFASA-N	1	0	752.032	2.455	1	30		KEEFRO
COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOCCOCCOCC[NH3+])n1	ZINC000096913189	562800194	/nfs/dbraw/zinc/80/01/94/562800194.db2.gz	GKZPQUYKCGCJCO-UHFFFAOYSA-N	1	0	502.572	2.228	1	30		KEEFRO
COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOCCOCCOCCOCCOCC[NH3+])n1	ZINC000096913192	562800192	/nfs/dbraw/zinc/80/01/92/562800192.db2.gz	WHKMANUAHDAPHA-UHFFFAOYSA-N	1	0	590.678	2.261	1	30		KEEFRO
COC[C@H]1OC(=O)C(C[N@H+](CCO)C(C)(C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000101158209	562809560	/nfs/dbraw/zinc/80/95/60/562809560.db2.gz	GLCMDXVOFNDXMC-DISLKRJHSA-N	1	0	547.645	2.345	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)C(=O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101179070	562809747	/nfs/dbraw/zinc/80/97/47/562809747.db2.gz	IYLNPLQZBSNTJC-IYJPRLTHSA-N	1	0	614.740	2.121	1	30		KEEFRO
CCn1c(=O)c(=C2C=CC=CN2C)sc1=C1SC(N=c2sc3cc(OC)ccc3n2C)=[N+](CC)C1=O	ZINC000101407158	562810562	/nfs/dbraw/zinc/81/05/62/562810562.db2.gz	JHBWHZHAHFSTJB-QLNITERQSA-N	1	0	540.716	2.492	1	30		KEEFRO
CCn1c(=O)c(=C2SCCN2C)sc1=C1SC(N=c2sc3cc(OC)ccc3n2C)=[N+](CC)C1=O	ZINC000101412007	562810611	/nfs/dbraw/zinc/81/06/11/562810611.db2.gz	MIQADGWKFVEGKH-TVFOVUEISA-N	1	0	548.761	2.113	1	30		KEEFRO
CCn1c(=O)c(=C2C=CC=CN2C)sc1=C1SC(N=c2sc3ccccc3n2C)=[N+](CC)C1=O	ZINC000101417353	562810634	/nfs/dbraw/zinc/81/06/34/562810634.db2.gz	BXXQWIOZWODGPL-ZTWBIXGRSA-N	1	0	510.690	2.484	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C([C@@H]3CC[NH2+]3)C(=C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101801892	562812165	/nfs/dbraw/zinc/81/21/65/562812165.db2.gz	DCQPVQNXGGXXQQ-FKROHELKSA-N	1	0	585.698	2.166	1	30		KEEFRO
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[N+]56CC[N+](CC#N)(CC5)CC6)cc3C4=O)[C@H](C)[C@H]12	ZINC000102781686	562813313	/nfs/dbraw/zinc/81/33/13/562813313.db2.gz	NTGFOUYLWSXRKZ-VQOIICAPSA-O	1	0	554.647	2.236	1	30		KEEFRO
N#Cc1ccc(C[C@H](NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])C(=O)NCc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000103258364	562821031	/nfs/dbraw/zinc/82/10/31/562821031.db2.gz	GTJQDJZYKORQCQ-RPBOFIJWSA-N	1	0	532.645	2.199	1	30		KEEFRO
N#Cc1ccc(C[C@@H](NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])C(=O)NCc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000103258366	562821034	/nfs/dbraw/zinc/82/10/34/562821034.db2.gz	GTJQDJZYKORQCQ-JWQCQUIFSA-N	1	0	532.645	2.199	1	30		KEEFRO
CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263929	562821905	/nfs/dbraw/zinc/82/19/05/562821905.db2.gz	XZFMIXOYYQQSNY-GUKJLXJASA-N	1	0	560.617	2.399	1	30		KEEFRO
CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263932	562821868	/nfs/dbraw/zinc/82/18/68/562821868.db2.gz	XZFMIXOYYQQSNY-WPZQMRLTSA-N	1	0	560.617	2.399	1	30		KEEFRO
CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263934	562821893	/nfs/dbraw/zinc/82/18/93/562821893.db2.gz	XZFMIXOYYQQSNY-MRAWUSNMSA-N	1	0	560.617	2.399	1	30		KEEFRO
CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	ZINC000103263936	562821881	/nfs/dbraw/zinc/82/18/81/562821881.db2.gz	XZFMIXOYYQQSNY-LURASQHTSA-N	1	0	560.617	2.399	1	30		KEEFRO
CNC1=[NH+]CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@](O)(COC5CCCCC5)C(C(=O)[O-])=C3C[C@@H]2[C@@]42CN1C=C[C@@H]2C[NH2+]CCO	ZINC000103524535	291740918	/nfs/dbraw/zinc/74/09/18/291740918.db2.gz	GTXNDEMOQNXJQL-UCRWXYSVSA-N	1	0	566.743	2.120	1	30	biogenic,in-vitro	KEEFRO
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)NC(=O)NC1=O)C2	ZINC000143218156	562834806	/nfs/dbraw/zinc/83/48/06/562834806.db2.gz	KWYPGPBYLJSFCV-MEYXWREJSA-N	1	0	620.682	2.019	1	30		KEEFRO
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@H](NC(=O)OC(C)(C)C)C4)cc3)NC(=O)NC1=O)C2	ZINC000143218380	562834795	/nfs/dbraw/zinc/83/47/95/562834795.db2.gz	KWYPGPBYLJSFCV-JDNLVSNKSA-N	1	0	620.682	2.019	1	30		KEEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)NC(=O)NC1=O)C2	ZINC000143245875	562834790	/nfs/dbraw/zinc/83/47/90/562834790.db2.gz	ZMVMRJBXLKMZQH-JGCGQSQUSA-N	1	0	569.662	2.371	1	30		KEEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)NC(=O)NC1=O)C2	ZINC000143246101	562834815	/nfs/dbraw/zinc/83/48/15/562834815.db2.gz	YXAPCNWNHLUBAY-JGCGQSQUSA-N	1	0	569.662	2.371	1	30		KEEFRO
CC[NH+]1CCN(c2ccc(OC)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)n2)CC1	ZINC000143300404	562834888	/nfs/dbraw/zinc/83/48/88/562834888.db2.gz	YJTJUEGLSJUQSI-MGBGTMOVSA-N	1	0	594.672	2.493	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1	ZINC000144534640	562836398	/nfs/dbraw/zinc/83/63/98/562836398.db2.gz	NFEARTMWIKGWAQ-RBBKRZOGSA-N	1	0	598.108	2.429	1	30		KEEFRO
O=C(NCC#Cc1ccc2ncc(NC3CC[NH+](CCO)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000144969744	562836704	/nfs/dbraw/zinc/83/67/04/562836704.db2.gz	KOTRYDRYPCQTNM-UHFFFAOYSA-N	1	0	573.604	2.163	1	30		KEEFRO
CN(CC[NH+](C)C)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1	ZINC000144970187	562836740	/nfs/dbraw/zinc/83/67/40/562836740.db2.gz	CIHLWOLMYSQGMF-UHFFFAOYSA-N	1	0	531.567	2.292	1	30		KEEFRO
C[N@@H+]1CC[C@@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000144970481	562836758	/nfs/dbraw/zinc/83/67/58/562836758.db2.gz	BTTZMTXDGNOSAF-HXUWFJFHSA-N	1	0	529.551	2.411	1	30		KEEFRO
C[NH+](C)C[C@@H](O)COc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000144974712	562836764	/nfs/dbraw/zinc/83/67/64/562836764.db2.gz	ODOOPFQPFZRZLH-OAQYLSRUSA-N	1	0	547.562	2.201	1	30		KEEFRO
C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000144984046	562836797	/nfs/dbraw/zinc/83/67/97/562836797.db2.gz	QOQJFNLFVHFFBG-QHCPKHFHSA-N	1	0	556.573	2.333	1	30		KEEFRO
C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(=N)NC(N)=[NH2+])cc4)cc3)cc2)c1	ZINC000146333330	562838438	/nfs/dbraw/zinc/83/84/38/562838438.db2.gz	FODKHIZBLGBWBA-UHFFFAOYSA-O	1	0	550.603	2.488	1	30		KEEFRO
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ncc(Br)cc3F)C[NH2+]C2)CC1	ZINC000147732627	562839532	/nfs/dbraw/zinc/83/95/32/562839532.db2.gz	NSNODLMCUTYBRZ-QAPCUYQASA-N	1	0	610.893	2.093	1	30		KEEFRO
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CC[N@H+]3C)C1	ZINC000148041666	562839978	/nfs/dbraw/zinc/83/99/78/562839978.db2.gz	PBXQPVQDVLHYHN-RYHYHUEASA-N	1	0	542.636	2.378	1	30		KEEFRO
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1	ZINC000148750950	562841701	/nfs/dbraw/zinc/84/17/01/562841701.db2.gz	SQGRWYXRGQETRW-UHFFFAOYSA-N	1	0	513.646	2.411	1	30		KEEFRO
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1	ZINC000148859460	562841922	/nfs/dbraw/zinc/84/19/22/562841922.db2.gz	AGUQPSPLYMXJEI-UHFFFAOYSA-N	1	0	500.603	2.496	1	30		KEEFRO
COc1ccc2ncc(C#N)c(C[C@@H](O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149102411	562842076	/nfs/dbraw/zinc/84/20/76/562842076.db2.gz	YKQPAFKXPJPWPS-QJYLRPAKSA-N	1	0	516.558	2.011	1	30		KEEFRO
COc1ccc2ncc(C#N)c(C[C@H](O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149102612	562842121	/nfs/dbraw/zinc/84/21/21/562842121.db2.gz	YKQPAFKXPJPWPS-HTFLBPPUSA-N	1	0	516.558	2.011	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(OC)C(=C[C@@H](C)C[C@H](OC)[C@H](OC(=O)CC[NH3+])[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150530951	562843798	/nfs/dbraw/zinc/84/37/98/562843798.db2.gz	DOAYWUMKTJCJKS-YLVJMOMRSA-N	1	0	631.723	2.308	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC3CC[NH2+]CC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150536489	562843953	/nfs/dbraw/zinc/84/39/53/562843953.db2.gz	GITXJMAXOAAKCV-SAROKQDASA-N	1	0	642.794	2.351	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=O)c1c[nH]cn1)C2=O	ZINC000150555051	562844703	/nfs/dbraw/zinc/84/47/03/562844703.db2.gz	NUNIHHTXVGOUAL-CVPOBQQOSA-N	1	0	667.804	2.398	1	30		KEEFRO
CNC(=O)O[C@H]1/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC2=C(NCC[NH+](C)C)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H]1OC)C2=O	ZINC000150565526	562844969	/nfs/dbraw/zinc/84/49/69/562844969.db2.gz	TVVKADWKCVPRFE-COFSWBFLSA-N	1	0	630.783	2.174	1	30		KEEFRO
CONC(=O)O[C@H]1/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC2=C(NCC[NH+](C)C)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H]1OC)C2=O	ZINC000150565537	562844983	/nfs/dbraw/zinc/84/49/83/562844983.db2.gz	XHSXXMHOOVTJGW-COFSWBFLSA-N	1	0	646.782	2.106	1	30		KEEFRO
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)NO)C(=O)[C@H](N)CNC(=O)OCc2ccccc2Br)cc1	ZINC000150570586	562845068	/nfs/dbraw/zinc/84/50/68/562845068.db2.gz	VQPKNNQVCBPMFJ-RCZVLFRGSA-N	1	0	693.529	2.074	1	30		KEEFRO
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)NO)C(=O)[C@@H](N)CNC(=O)OCc2ccccc2Br)cc1	ZINC000150570589	562845070	/nfs/dbraw/zinc/84/50/70/562845070.db2.gz	VQPKNNQVCBPMFJ-WIOPSUGQSA-N	1	0	693.529	2.074	1	30		KEEFRO
[NH3+]CCOCCOCCOCCOCCOCCOCC#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1	ZINC000150591564	562846276	/nfs/dbraw/zinc/84/62/76/562846276.db2.gz	HWBODXDUVGMADS-UHFFFAOYSA-N	1	0	684.812	2.222	1	30		KEEFRO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)/C(=N/OCC[NH+](C)C)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150592210	562846325	/nfs/dbraw/zinc/84/63/25/562846325.db2.gz	LZDYKDTUQSXINS-VSXMJLFMSA-N	1	0	700.878	2.487	1	30		KEEFRO
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(OC)C(=C[C@@H](C)C[C@H](OC)[C@@H](OC(=O)CC[NH3+])[C@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O	ZINC000150603079	562847405	/nfs/dbraw/zinc/84/74/05/562847405.db2.gz	DOAYWUMKTJCJKS-PUSBWIFDSA-N	1	0	631.723	2.308	1	30		KEEFRO
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](OC(=O)CC[NH3+])[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	ZINC000150608212	562848150	/nfs/dbraw/zinc/84/81/50/562848150.db2.gz	SLTUTDJHGVPYPA-VHGQFAHKSA-N	1	0	656.777	2.437	1	30		KEEFRO
C=CCNC1=C2C[C@@H](C)C[C@@H](OC)[C@H](OC(=O)CC[NH3+])[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	ZINC000150624523	562848903	/nfs/dbraw/zinc/84/89/03/562848903.db2.gz	SLTUTDJHGVPYPA-INHDOZNCSA-N	1	0	656.777	2.437	1	30		KEEFRO
CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	ZINC000160870452	562849072	/nfs/dbraw/zinc/84/90/72/562849072.db2.gz	DYVHVMLSWFNVIT-KMKAFXEASA-N	1	0	771.868	2.405	1	30		KEEFRO
CC[NH+]1CCN([C@@H](C)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)cc2)CC1	ZINC000167611127	562851020	/nfs/dbraw/zinc/85/10/20/562851020.db2.gz	CXXGOKXVDBAGFV-ADXZGYQBSA-N	1	0	533.604	2.119	1	30		KEEFRO
CC[NH+]1CCN([C@H](C)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)cc2)CC1	ZINC000167611228	562851006	/nfs/dbraw/zinc/85/10/06/562851006.db2.gz	CXXGOKXVDBAGFV-SONOPUAISA-N	1	0	533.604	2.119	1	30		KEEFRO
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@H](NC(=O)OC(C)(C)C)C4)cc3)NC(=O)NC1=O)C2	ZINC000167613236	562850985	/nfs/dbraw/zinc/85/09/85/562850985.db2.gz	KWYPGPBYLJSFCV-HWZYRGQPSA-N	1	0	620.682	2.019	1	30		KEEFRO
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@H]2OC(=O)O[C@@]21C	ZINC000169300151	562852805	/nfs/dbraw/zinc/85/28/05/562852805.db2.gz	AJWNYVKRSFPNMF-GPZKUSRCSA-N	1	0	644.759	2.137	1	30		KEEFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NOS(=O)(=O)c1ccc(C)cc1)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000169317467	562855993	/nfs/dbraw/zinc/85/59/93/562855993.db2.gz	NVBTVBMHPYVWGY-DLCCSXRKSA-N	1	0	711.746	2.034	1	30		KEEFRO
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)N(C(C)=O)C(=O)C=Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc1	ZINC000169319500	562856221	/nfs/dbraw/zinc/85/62/21/562856221.db2.gz	LOKPHTBOIDEQDC-VYHHSNHSSA-N	1	0	800.933	2.116	1	30		KEEFRO
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319532	562856232	/nfs/dbraw/zinc/85/62/32/562856232.db2.gz	HCLBNMMKSPNTAU-GBQNUJCSSA-N	1	0	784.934	2.498	1	30		KEEFRO
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319536	562856229	/nfs/dbraw/zinc/85/62/29/562856229.db2.gz	VYXJRGYLPBOTKF-UUMRZIGESA-N	1	0	815.904	2.016	1	30		KEEFRO
CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000169319539	562856237	/nfs/dbraw/zinc/85/62/37/562856237.db2.gz	XASMOWVQOBLESR-MSYKWCAFSA-N	1	0	770.907	2.107	1	30		KEEFRO
Cc1ccc(S(=O)(=O)OCCN(C)[P@](=O)(OCC[C@@H]2[NH2+]C(C)(C)C[C@@H](C)O2)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)cc1	ZINC000169319750	562856287	/nfs/dbraw/zinc/85/62/87/562856287.db2.gz	JNBHNCNOLDSPIH-AKVXSFTBSA-N	1	0	692.700	2.004	1	30		KEEFRO
CC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1	ZINC000169321113	562856586	/nfs/dbraw/zinc/85/65/86/562856586.db2.gz	YVZVKPQGXBZIAX-DTXPUJKBSA-N	1	0	659.857	2.103	1	30		KEEFRO
C=CCO[C@@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O	ZINC000169360012	562864118	/nfs/dbraw/zinc/86/41/18/562864118.db2.gz	RQMUXJUBZYVKJT-DKDGTAEESA-N	1	0	613.789	2.279	1	30		KEEFRO
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)NC(=O)NC1=O)C2	ZINC000169694504	562865326	/nfs/dbraw/zinc/86/53/26/562865326.db2.gz	KWYPGPBYLJSFCV-ULIDOWHDSA-N	1	0	620.682	2.019	1	30		KEEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](N=O)C4CC[NH+](C)CC4)cc3)NC(=O)NC1=O)C2	ZINC000169694513	562865293	/nfs/dbraw/zinc/86/52/93/562865293.db2.gz	WETKCAYYSUZHAX-UFHPHHKVSA-N	1	0	515.570	2.430	1	30		KEEFRO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](N=O)C4CC[NH+](C)CC4)cc3)NC(=O)NC1=O)C2	ZINC000169694514	562865330	/nfs/dbraw/zinc/86/53/30/562865330.db2.gz	WETKCAYYSUZHAX-RBJSKKJNSA-N	1	0	515.570	2.430	1	30		KEEFRO
CNc1ncnc2ccc(C#CCNC(=O)c3cc(NCC[NH+](C)C)nn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000169694809	562865593	/nfs/dbraw/zinc/86/55/93/562865593.db2.gz	VVVXMGKEXUHTKE-UHFFFAOYSA-N	1	0	546.582	2.310	1	30		KEEFRO
CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4[NH2+][C@@H]5CC[C@H]4C5)s3)cc2)CC1	ZINC000169708982	562870305	/nfs/dbraw/zinc/87/03/05/562870305.db2.gz	KTVUUDSQXGTMCQ-VKDGWMQASA-N	1	0	513.689	2.043	1	30		KEEFRO
C#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCN(C5COC5)[C@@H](C(=O)N5CCOCC5)C4)c3Cl)nn12	ZINC000169711946	562871199	/nfs/dbraw/zinc/87/11/99/562871199.db2.gz	MHFGVXATTJEHKF-JOCHJYFZSA-N	1	0	604.075	2.266	1	30		KEEFRO
N#Cc1cccc(-c2ccc(=O)n(C[C@@H]3CN(c4ncc(-c5cnn(C6CC[NH2+]CC6)c5)cn4)CCO3)n2)c1	ZINC000205694212	562875682	/nfs/dbraw/zinc/87/56/82/562875682.db2.gz	VZVDBQDCSWMMTI-VWLOTQADSA-N	1	0	523.601	2.265	1	30		KEEFRO
C[NH+]1CCN(c2ccc(-c3cnc(N4CCO[C@H](Cn5nc(-c6cccc(C#N)c6)ccc5=O)C4)nc3)cn2)CC1	ZINC000205700029	562875698	/nfs/dbraw/zinc/87/56/98/562875698.db2.gz	RSHVSHQCLHTDJZ-SANMLTNESA-N	1	0	549.639	2.291	1	30		KEEFRO
CN1CCN(S(=O)(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4[NH2+][C@@H]5CC[C@H]4C5)c(F)c3)ccc2F)CC1	ZINC000219312080	562878045	/nfs/dbraw/zinc/87/80/45/562878045.db2.gz	TYOXDYZNTFEUBD-MSZDEVHKSA-N	1	0	543.640	2.259	1	30		KEEFRO
CN1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4[NH2+][C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1=O	ZINC000219313912	562878027	/nfs/dbraw/zinc/87/80/27/562878027.db2.gz	GZYHERLOGHRBJT-GHCZAOPSSA-N	1	0	509.607	2.160	1	30		KEEFRO
CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4[NH2+][C@@H]5CC[C@H]4C5)c(F)c3)cc2)CC1	ZINC000219316637	562878067	/nfs/dbraw/zinc/87/80/67/562878067.db2.gz	JTEJDGCXJPQUEE-LNEBKTTKSA-N	1	0	525.650	2.120	1	30		KEEFRO
N#C[C@H](Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F)NC(=O)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	ZINC000220831093	562878671	/nfs/dbraw/zinc/87/86/71/562878671.db2.gz	JKOMQLYGPOVMIW-MTQWNXOMSA-N	1	0	512.607	2.205	1	30		KEEFRO
N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCN4CCOC[C@@H]4C3)c2)cc1F)NC(=O)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	ZINC000220833470	562878649	/nfs/dbraw/zinc/87/86/49/562878649.db2.gz	LZNDHEGNLIOHKM-OBXDFBOXSA-N	1	0	537.661	2.402	1	30		KEEFRO
N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCN4CCOC[C@H]4C3)c2)cc1F)NC(=O)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	ZINC000220833534	562878660	/nfs/dbraw/zinc/87/86/60/562878660.db2.gz	LZNDHEGNLIOHKM-PPINEWEDSA-N	1	0	537.661	2.402	1	30		KEEFRO
N#C[C@H]1C[C@@H]([NH2+]C2COC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221184800	562878811	/nfs/dbraw/zinc/87/88/11/562878811.db2.gz	QBMXHJNZMAKCAK-IAISJRAMSA-N	1	0	512.514	2.241	1	30		KEEFRO
N#C[C@H]1C[C@H]([NH2+]C2COC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221184896	562878835	/nfs/dbraw/zinc/87/88/35/562878835.db2.gz	QBMXHJNZMAKCAK-DFHBCGBQSA-N	1	0	512.514	2.241	1	30		KEEFRO
N#C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221836308	562879262	/nfs/dbraw/zinc/87/92/62/562879262.db2.gz	KDKFQWQABHNCIP-MQJTVSLUSA-N	1	0	588.634	2.277	1	30		KEEFRO
N#C[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221836439	562879298	/nfs/dbraw/zinc/87/92/98/562879298.db2.gz	KDKFQWQABHNCIP-VZHLBOQGSA-N	1	0	588.634	2.277	1	30		KEEFRO
N#C[C@H]1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221852170	562879358	/nfs/dbraw/zinc/87/93/58/562879358.db2.gz	IKKRHTRJOBAWNT-DEWZPKMOSA-N	1	0	574.607	2.029	1	30		KEEFRO
N#C[C@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000221852292	562879333	/nfs/dbraw/zinc/87/93/33/562879333.db2.gz	IKKRHTRJOBAWNT-ZIGSKRJUSA-N	1	0	574.607	2.029	1	30		KEEFRO
COc1cc(C#Cc2cn([C@H]3CCN(C(=O)/C=C/C[NH+]4CCC(O)CC4)C3)c3ncnc(N)c23)cc(OC)c1	ZINC000222823913	562879974	/nfs/dbraw/zinc/87/99/74/562879974.db2.gz	CPLDSNJWSKRUHY-SIAOZKNOSA-N	1	0	530.629	2.217	1	30		KEEFRO
N#C[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222975852	562879987	/nfs/dbraw/zinc/87/99/87/562879987.db2.gz	KDKFQWQABHNCIP-UOSKARGWSA-N	1	0	588.634	2.277	1	30		KEEFRO
N#C[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222975906	562880021	/nfs/dbraw/zinc/88/00/21/562880021.db2.gz	KDKFQWQABHNCIP-YVTWGWGSSA-N	1	0	588.634	2.277	1	30		KEEFRO
N#C[C@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222975983	562880032	/nfs/dbraw/zinc/88/00/32/562880032.db2.gz	IKKRHTRJOBAWNT-UEABVUSTSA-N	1	0	574.607	2.029	1	30		KEEFRO
N#C[C@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1	ZINC000222976032	562880019	/nfs/dbraw/zinc/88/00/19/562880019.db2.gz	IKKRHTRJOBAWNT-RGPZOAQRSA-N	1	0	574.607	2.029	1	30		KEEFRO
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/C[NH+]4CCCCC4)C3)c3ncnc(N)c23)cc(OC)c1	ZINC000225159611	562880776	/nfs/dbraw/zinc/88/07/76/562880776.db2.gz	ZWQCDHDIXJBFQC-VOTSOKGWSA-N	1	0	501.591	2.251	1	30		KEEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](c2ccccc2)CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000253638241	562882441	/nfs/dbraw/zinc/88/24/41/562882441.db2.gz	IEDHIIRPKOOLHF-ONALLGOCSA-N	1	0	749.917	2.037	1	30		KEEFRO
CNC(=O)c1ccc(COc2ccc(S(=O)(=O)[C@]3(C(=O)NO)CCC4(C3)CC[NH2+]CC4)cc2)cc1	ZINC000299862559	562893612	/nfs/dbraw/zinc/89/36/12/562893612.db2.gz	NKVXPWMSTSLIPX-RUZDIDTESA-N	1	0	501.605	2.197	1	30		KEEFRO
CNC(=O)c1ccc(COc2ccc(S(=O)(=O)[C@@]3(C(=O)NO)CCC4(C3)CC[NH2+]CC4)cc2)cc1	ZINC000299862560	562893597	/nfs/dbraw/zinc/89/35/97/562893597.db2.gz	NKVXPWMSTSLIPX-VWLOTQADSA-N	1	0	501.605	2.197	1	30		KEEFRO
CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)[C@]3(C(=O)NO)CCC4(C3)CC[NH2+]CC4)cc2)cc1OC	ZINC000299866751	562894717	/nfs/dbraw/zinc/89/47/17/562894717.db2.gz	WQJPTWWOCNRCBI-RUZDIDTESA-N	1	0	517.604	2.419	1	30		KEEFRO
CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)[C@@]3(C(=O)NO)CCC4(C3)CC[NH2+]CC4)cc2)cc1OC	ZINC000299866752	562894725	/nfs/dbraw/zinc/89/47/25/562894725.db2.gz	WQJPTWWOCNRCBI-VWLOTQADSA-N	1	0	517.604	2.419	1	30		KEEFRO
Cc1cc2c(cc1C)[n+](=O)c(C(=O)C=C(NNC(=S)NN)C(=O)Nc1cccc(C(F)(F)F)c1)cn2O	ZINC000377841279	562896239	/nfs/dbraw/zinc/89/62/39/562896239.db2.gz	MPMBVUVXNVSJFI-UHFFFAOYSA-O	1	0	536.516	2.334	1	30		KEEFRO
CCCn1c2cc(N3CC(=O)N(Cc4cc5cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc5n4C)C3=O)ccc2oc1=O	ZINC000473127056	562899801	/nfs/dbraw/zinc/89/98/01/562899801.db2.gz	AFHYYKVDKGPGHO-SFHVURJKSA-N	1	0	573.614	2.006	1	30		KEEFRO
Cn1c(CN2C(=O)CN(c3ccc4c(c3)oc(=O)n4Cc3ccncc3)C2=O)cc2cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc21	ZINC000473128499	562899959	/nfs/dbraw/zinc/89/99/59/562899959.db2.gz	BYKRVNQSKOJDFO-NRFANRHFSA-N	1	0	622.646	2.039	1	30		KEEFRO
Cn1c(CN2C(=O)CN(c3ccc4oc(=O)n(Cc5ccncc5)c4c3)C2=O)cc2cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc21	ZINC000473128514	562899980	/nfs/dbraw/zinc/89/99/80/562899980.db2.gz	CAJJCPXLMBSRJN-NRFANRHFSA-N	1	0	622.646	2.039	1	30		KEEFRO
CCCn1c2ccc(N3CC(=O)N(Cc4cc5cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc5n4C)C3=O)cc2oc1=O	ZINC000473130195	562900099	/nfs/dbraw/zinc/90/00/99/562900099.db2.gz	KIGPGONYCURCST-SFHVURJKSA-N	1	0	573.614	2.006	1	30		KEEFRO
CC(C)Cn1c2ccc(N3CC(=O)N(Cc4cc5cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc5n4C)C3=O)cc2oc1=O	ZINC000473131344	562900189	/nfs/dbraw/zinc/90/01/89/562900189.db2.gz	OYMLUXFGBKYEID-IBGZPJMESA-N	1	0	587.641	2.252	1	30		KEEFRO
CC(C)Cn1c2cc(N3CC(=O)N(Cc4cc5cnc(C(=O)N[C@H](C#N)CCCC[NH3+])nc5n4C)C3=O)ccc2oc1=O	ZINC000473133145	562900414	/nfs/dbraw/zinc/90/04/14/562900414.db2.gz	YFPKTKSULNWBAQ-IBGZPJMESA-N	1	0	587.641	2.252	1	30		KEEFRO
C=C(C(N)=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1cccs1	ZINC000473154655	562902207	/nfs/dbraw/zinc/90/22/07/562902207.db2.gz	JVKFRJVEOICAPT-CXXWFMJBSA-N	1	0	628.755	2.422	1	30		KEEFRO
C=C(C(N)=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccsc1	ZINC000473169168	562903123	/nfs/dbraw/zinc/90/31/23/562903123.db2.gz	MFIHNDVLIKTORN-AMEOFWRWSA-N	1	0	628.755	2.422	1	30		KEEFRO
C=C1C[C@]23C[C@H](OC(C)=O)[C@@]4(O)[C@]56C[C@@H](O)C[C@@]4(C)C[N@@H+](C)[C@@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/CO)[C@H]36	ZINC000653707857	562907929	/nfs/dbraw/zinc/90/79/29/562907929.db2.gz	ZMDMLWZBERFJAM-PMJYTZRKSA-N	1	0	599.721	2.065	1	30		KEEFRO
C=C1C[C@]23C[C@H](OC(C)=O)[C@@]4(O)[C@]56C[C@@H](O)C[C@@]4(C)C[N@@H+](C)[C@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/CO)[C@H]36	ZINC000653707858	562907914	/nfs/dbraw/zinc/90/79/14/562907914.db2.gz	ZMDMLWZBERFJAM-SWVOMIFPSA-N	1	0	599.721	2.065	1	30		KEEFRO
CCCCCCCC[C@H](O)C[N@H+](CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714201	562908336	/nfs/dbraw/zinc/90/83/36/562908336.db2.gz	SJWZVFDMXOXIKK-CGJHZZFZSA-N	1	0	533.703	2.166	1	30		KEEFRO
CCCCCCCC[C@@H](O)C[N@H+](CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714202	562908363	/nfs/dbraw/zinc/90/83/63/562908363.db2.gz	SJWZVFDMXOXIKK-SAQQLHGMSA-N	1	0	533.703	2.166	1	30		KEEFRO
CCCCCCCC[C@H](O)C[N@H+](CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714203	562908353	/nfs/dbraw/zinc/90/83/53/562908353.db2.gz	SJWZVFDMXOXIKK-YCHLROQCSA-N	1	0	533.703	2.166	1	30		KEEFRO
CCCCCCCC[C@@H](O)C[N@H+](CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714204	562908331	/nfs/dbraw/zinc/90/83/31/562908331.db2.gz	SJWZVFDMXOXIKK-ZOECEDPBSA-N	1	0	533.703	2.166	1	30		KEEFRO
COc1ccc2ncc(F)c(C[C@@H](NOC(C)=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000653767640	562911706	/nfs/dbraw/zinc/91/17/06/562911706.db2.gz	OQOSAVZSBSPTOZ-BQEUZBSESA-N	1	0	566.590	2.354	1	30		KEEFRO
COc1ccc2ncc(F)c(C[C@H](NOC(C)=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000653767641	562911695	/nfs/dbraw/zinc/91/16/95/562911695.db2.gz	OQOSAVZSBSPTOZ-ZJOVHXHXSA-N	1	0	566.590	2.354	1	30		KEEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)n1	ZINC000095545390	562758035	/nfs/dbraw/zinc/75/80/35/562758035.db2.gz	YKJMOKAETPZIQN-VBTAUBHQSA-N	1	0	758.929	2.054	3	30		KEEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H]([NH3+])[C@H](C)CC)nn3)CC2)n1	ZINC000095545677	562758181	/nfs/dbraw/zinc/75/81/81/562758181.db2.gz	YEYXTQMCNUMMQL-AFAVSPFMSA-N	1	0	758.929	2.054	3	30		KEEFRO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1	ZINC000095545678	562758185	/nfs/dbraw/zinc/75/81/85/562758185.db2.gz	YEYXTQMCNUMMQL-AJYOZGBCSA-N	1	0	758.929	2.054	3	30		KEEFRO
COc1ccccc1NC(=O)N(C)C[C@H]1Oc2ncc(C#CC[NH+](C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C	ZINC000095601611	562779683	/nfs/dbraw/zinc/77/96/83/562779683.db2.gz	GQARHBUWRWUUPD-UMEGOILYSA-N	1	0	523.634	2.387	3	30		KEEFRO
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C[NH+](C)C)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O	ZINC000095605691	562781672	/nfs/dbraw/zinc/78/16/72/562781672.db2.gz	AUCCPWLHGTYGPJ-JXQFQVJHSA-N	1	0	514.648	2.014	3	30		KEEFRO