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/nfs/dbraw/zinc/05/83/68/535058368.db2.gz YUZXQRSBQCENSX-SCZZXKLOSA-N 0 0 305.400 -0.655 10 0 DBAERN CC(C)CN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@@H](C)C1=O ZINC000408157465 535097236 /nfs/dbraw/zinc/09/72/36/535097236.db2.gz CQJVLKGZIKNYCB-SRVKXCTJSA-N 0 0 311.382 -0.265 10 0 DBAERN CCN(CC)S(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000408204308 535624613 /nfs/dbraw/zinc/62/46/13/535624613.db2.gz GSNAASFIESINID-WZRBSPASSA-N 0 0 319.427 -0.011 10 0 DBAERN CCn1nccc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408017478 535887920 /nfs/dbraw/zinc/88/79/20/535887920.db2.gz SKMZDBKKIKTZMJ-NWDGAFQWSA-N 0 0 314.411 -0.003 10 0 DBAERN CN(C)S(=O)(=O)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408054225 536065985 /nfs/dbraw/zinc/06/59/85/536065985.db2.gz YQGOKKIBQRJJAF-QJPTWQEYSA-N 0 0 320.411 -0.734 10 0 DBAERN CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408058090 536071480 /nfs/dbraw/zinc/07/14/80/536071480.db2.gz FSKCZSSVROQFFJ-RYUDHWBXSA-N 0 0 319.427 -0.801 10 0 DBAERN CNS(=O)(=O)NCC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000407994468 536298729 /nfs/dbraw/zinc/29/87/29/536298729.db2.gz BXJSKEOKGOSYQT-JTQLQIEISA-N 0 0 301.372 -0.863 10 0 DBAERN CNS(=O)(=O)c1ccc(N2C[C@H](OC)C[C@H]2CO)nc1 ZINC000375253693 536317791 /nfs/dbraw/zinc/31/77/91/536317791.db2.gz DZAURKUAMFZKIG-VHSXEESVSA-N 0 0 301.368 -0.424 10 0 DBAERN CNC(=O)[C@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)CCO1 ZINC000407992193 536396822 /nfs/dbraw/zinc/39/68/22/536396822.db2.gz RBIOOMGGANKCFY-NWDGAFQWSA-N 0 0 311.382 -0.249 10 0 DBAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 ZINC000408082517 536434919 /nfs/dbraw/zinc/43/49/19/536434919.db2.gz QPDBVHZZYPINGE-NEPJUHHUSA-N 0 0 313.402 -0.593 10 0 DBAERN COC[C@H]1CN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCO1 ZINC000408053326 536578767 /nfs/dbraw/zinc/57/87/67/536578767.db2.gz XEKRWRYPOUPDLS-TZMCWYRMSA-N 0 0 300.355 -0.766 10 0 DBAERN CO[C@@H]1C[C@@H](CO)N(c2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000375255112 536786811 /nfs/dbraw/zinc/78/68/11/536786811.db2.gz SRPCSFDQERMBIH-JGVFFNPUSA-N 0 0 307.397 -0.315 10 0 DBAERN CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H](O)C2)N(S(C)(=O)=O)C1 ZINC000408448236 536815826 /nfs/dbraw/zinc/81/58/26/536815826.db2.gz QUDSZCKSGXTVIM-WHOHXGKFSA-N 0 0 320.411 -0.688 10 0 DBAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)N(C(C)=O)C1 ZINC000408275246 536816706 /nfs/dbraw/zinc/81/67/06/536816706.db2.gz WTTZRTDPFBVGRD-QNWHQSFQSA-N 0 0 311.382 -0.218 10 0 DBAERN CO[C@H]1C[C@H](C(=O)N[C@@]2(C)CCO[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000408455093 536817288 /nfs/dbraw/zinc/81/72/88/536817288.db2.gz XEUPEQYTHISLNV-XZUYRWCXSA-N 0 0 320.411 -0.281 10 0 DBAERN CC(C)c1c(O)cc([C@H](NC(N)=[NH2+])C(=O)NCC(=O)[O-])cc1O ZINC000001996105 560185379 /nfs/dbraw/zinc/18/53/79/560185379.db2.gz QMFJWJLPWNAZMH-LBPRGKRZSA-N 0 0 324.337 -0.054 10 0 in-vitro DBAERN CC(=O)N[C@H]1[C@@H](O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000077269504 563508142 /nfs/dbraw/zinc/50/81/42/563508142.db2.gz OIXDAEIOQFFRMF-JSLGZRHDSA-N 0 0 309.318 -0.317 10 0 in-vitro DBAERN O=C(/C=C/c1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000000901951 574411127 /nfs/dbraw/zinc/41/11/27/574411127.db2.gz CJGRGYBLAHPYOM-BPEFQWATSA-N 0 0 310.302 -0.957 10 0 endogenous,in-man DBAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3ncnc4c3CCC4)C2)C1 ZINC000888098604 665859162 /nfs/dbraw/zinc/85/91/62/665859162.db2.gz JKUVOGGTUARKHI-JTQLQIEISA-N 0 0 315.377 -0.252 10 0 DBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ncnc4[nH]ccc43)C2)C1 ZINC000888098570 665859164 /nfs/dbraw/zinc/85/91/64/665859164.db2.gz ILGJYBAKIXEKME-SECBINFHSA-N 0 0 314.349 -0.259 10 0 DBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(S(=O)(=O)C3(C)CC3)C2)C1 ZINC000888097701 665859261 /nfs/dbraw/zinc/85/92/61/665859261.db2.gz MWPGBMQHAVBMPK-SECBINFHSA-N 0 0 315.395 -0.853 10 0 DBAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ncnc4c3CCC4)C2)C1 ZINC000888098630 665859318 /nfs/dbraw/zinc/85/93/18/665859318.db2.gz JKUVOGGTUARKHI-SNVBAGLBSA-N 0 0 315.377 -0.252 10 0 DBAERN CCn1ccnc(N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)c1=O ZINC000888099377 665859619 /nfs/dbraw/zinc/85/96/19/665859619.db2.gz WMUURQMOBGNDJD-SNVBAGLBSA-N 0 0 319.365 -0.954 10 0 DBAERN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC000094819599 665916691 /nfs/dbraw/zinc/91/66/91/665916691.db2.gz VEYCZEUBTQHFCS-AXFHLTTASA-N 0 0 318.395 -0.322 10 0 DBAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000344890568 664054200 /nfs/dbraw/zinc/05/42/00/664054200.db2.gz AKFMJWDBNOZROM-RKDXNWHRSA-N 0 0 322.408 -0.358 10 0 DBAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)C1=NNC(=O)CC1 ZINC000090926006 664158364 /nfs/dbraw/zinc/15/83/64/664158364.db2.gz BGJGKGMQEFHREA-SECBINFHSA-N 0 0 305.381 -0.802 10 0 DBAERN CC(C)(C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)N1CCOCC1 ZINC000888079157 664394308 /nfs/dbraw/zinc/39/43/08/664394308.db2.gz FVGZOHLHQJDVSH-YNEHKIRRSA-N 0 0 308.382 -0.216 10 0 DBAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCOC[C@@H]1CO)CS2 ZINC000168591087 664832900 /nfs/dbraw/zinc/83/29/00/664832900.db2.gz ABOQZMWBALPJCP-KWBADKCTSA-N 0 0 300.380 -0.340 10 0 DBAERN CO[C@@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC[C@H]1C ZINC000299985282 665248823 /nfs/dbraw/zinc/24/88/23/665248823.db2.gz AHDJFBKMFYTKNA-GRYCIOLGSA-N 0 0 304.412 -0.354 10 0 DBAERN CN1C(=O)C[C@H](C(=O)N[C@H]2CCCNC2=O)[C@@H]1c1cccnc1 ZINC000332869070 665265990 /nfs/dbraw/zinc/26/59/90/665265990.db2.gz GQDNZQPRVCXWFZ-OBJOEFQTSA-N 0 0 316.361 -0.004 10 0 DBAERN Cc1nnc2n1C[C@H](C(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C)N(C)C2 ZINC000911806836 674747360 /nfs/dbraw/zinc/74/73/60/674747360.db2.gz IFQDSDGGNZZLTF-UXCLJVHYSA-N 0 0 320.397 -0.476 10 0 DBAERN CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(CO)COCCN1 ZINC000913183905 674793174 /nfs/dbraw/zinc/79/31/74/674793174.db2.gz LOIHKUCPODSTJO-KCQAQPDRSA-N 0 0 300.399 -0.095 10 0 DBAERN COCCNC(=O)CCNC(=O)c1nn2c(c1F)OCC2 ZINC000223845562 674823501 /nfs/dbraw/zinc/82/35/01/674823501.db2.gz HODXYGUMUULHNO-UHFFFAOYSA-N 0 0 300.290 -0.703 10 0 DBAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCOC[C@H]1CO ZINC000168630054 674876711 /nfs/dbraw/zinc/87/67/11/674876711.db2.gz YKLAHRAVJMPMJC-DTWKUNHWSA-N 0 0 310.272 -0.383 10 0 DBAERN CCN1CCC[C@@H]1CN(C)S(=O)(=O)CCS(C)(=O)=O ZINC000175399388 677511061 /nfs/dbraw/zinc/51/10/61/677511061.db2.gz IJUATORMGUKGSQ-LLVKDONJSA-N 0 0 312.457 -0.223 10 0 DBAERN CC[C@@H]1CN(C(=O)N=c2nn[n-]n2CC)CC[N@@H+]1CCOC ZINC000888336361 678465036 /nfs/dbraw/zinc/46/50/36/678465036.db2.gz SNZKEBBVFLIISB-LLVKDONJSA-N 0 0 311.390 -0.311 10 0 DBAERN O=C(NC1CC1)C1(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)CC1 ZINC000909162644 807608748 /nfs/dbraw/zinc/60/87/48/807608748.db2.gz JBVNZIAVYJOZPD-GRYCIOLGSA-N 0 0 304.350 -0.268 10 0 DBAERN CC[N@@H+]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000689211267 968891376 /nfs/dbraw/zinc/89/13/76/968891376.db2.gz KEIVDTBEAIUMBI-NSHDSACASA-N 0 0 305.400 -0.192 10 0 DBAERN O=C([O-])C[C@@H]1CSCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000695092481 976776657 /nfs/dbraw/zinc/77/66/57/976776657.db2.gz ZBBQHRVBLATELG-SNVBAGLBSA-N 0 0 308.425 -0.086 10 0 DBAERN C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000702607630 977097495 /nfs/dbraw/zinc/09/74/95/977097495.db2.gz XYWZOKFYLKWBRY-LLVKDONJSA-N 0 0 304.324 -0.677 10 0 DBAERN CO[C@]1(C(=O)[O-])CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000703785498 977204429 /nfs/dbraw/zinc/20/44/29/977204429.db2.gz ROYYYESMNQOVJQ-ZYHUDNBSSA-N 0 0 306.384 -0.557 10 0 DBAERN CCOC(=O)Cc1csc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])n1 ZINC000707252330 977379285 /nfs/dbraw/zinc/37/92/85/977379285.db2.gz YYROHZVFMHAQKK-ZETCQYMHSA-N 0 0 301.324 -0.011 10 0 DBAERN