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/nfs/dbraw/zinc/58/48/97/1196584897.db2.gz MJNOPDKZPPSITK-UHFFFAOYSA-N -1 3 383.434 0.644 10 0 GCAEHM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC(=O)N1 ZINC000453048035 1197094149 /nfs/dbraw/zinc/09/41/49/1197094149.db2.gz UEWPAEZBLFUEOW-SNVBAGLBSA-N -1 3 380.401 0.915 10 0 GCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000532798990 1197411967 /nfs/dbraw/zinc/41/19/67/1197411967.db2.gz CFBHKJZEDQZGNB-JTQLQIEISA-N -1 3 393.469 0.563 10 0 GCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2c2ccccc2OC)o1 ZINC000262084282 1197524099 /nfs/dbraw/zinc/52/40/99/1197524099.db2.gz XWYAKPFUXSJBJQ-ZDUSSCGKSA-N -1 3 379.438 0.983 10 0 GCAEHM O=C(NCCCN1CCCS1(=O)=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000672837608 1199347136 /nfs/dbraw/zinc/34/71/36/1199347136.db2.gz FHRGOAPKIKRUMI-UHFFFAOYSA-N -1 3 385.392 0.962 10 0 GCAEHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000770114492 1202085680 /nfs/dbraw/zinc/08/56/80/1202085680.db2.gz LZJUXAMKOFPUSC-AWEZNQCLSA-N -1 3 386.426 0.861 10 0 GCAEHM Cn1ncc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C1CC1 ZINC000770719784 1202108046 /nfs/dbraw/zinc/10/80/46/1202108046.db2.gz PBJSHWFKFMDVPY-UHFFFAOYSA-N -1 3 397.435 0.926 10 0 GCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177769390 530192007 /nfs/dbraw/zinc/19/20/07/530192007.db2.gz BKTLNPDJSZUFNF-SNVBAGLBSA-N -1 3 382.218 0.187 10 0 GCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000266382360 530200829 /nfs/dbraw/zinc/20/08/29/530200829.db2.gz TXGKURSOBDHNLL-HZSPNIEDSA-N -1 3 387.527 0.594 10 0 GCAEHM CC(=O)N1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000558412552 530209250 /nfs/dbraw/zinc/20/92/50/530209250.db2.gz DHSBJPFDUBMMBP-JTQLQIEISA-N -1 3 379.891 0.664 10 0 GCAEHM Cc1cnc(CCN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)s1 ZINC000125062306 530276786 /nfs/dbraw/zinc/27/67/86/530276786.db2.gz UBRJDMNOGGTUKA-UHFFFAOYSA-N -1 3 387.259 0.765 10 0 GCAEHM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000108270097 530253889 /nfs/dbraw/zinc/25/38/89/530253889.db2.gz CTRLWNRRPALHQM-SECBINFHSA-N -1 3 378.863 0.702 10 0 GCAEHM Cc1cnn([C@H]2CCCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)c1 ZINC000109681587 530256878 /nfs/dbraw/zinc/25/68/78/530256878.db2.gz KWZJBLWATXJYFQ-NSHDSACASA-N -1 3 396.245 0.668 10 0 GCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000111607170 530259462 /nfs/dbraw/zinc/25/94/62/530259462.db2.gz GBCHALWTEJZCOP-NSHDSACASA-N -1 3 381.230 0.696 10 0 GCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC(N)=O)s1 ZINC000560601518 530267490 /nfs/dbraw/zinc/26/74/90/530267490.db2.gz QXKAYYUMTTXMPP-LLVKDONJSA-N -1 3 375.516 0.995 10 0 GCAEHM CC(C)CC[C@](C)(O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000174492798 530328878 /nfs/dbraw/zinc/32/88/78/530328878.db2.gz MRIKVYWVMSIXOK-AWEZNQCLSA-N -1 3 376.251 0.603 10 0 GCAEHM Cc1nccn1C[C@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000177172666 530361778 /nfs/dbraw/zinc/36/17/78/530361778.db2.gz DBEWRHPSTBFXEY-LLVKDONJSA-N -1 3 396.245 0.495 10 0 GCAEHM O=S(=O)(N1CCOCC1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000408059649 530364408 /nfs/dbraw/zinc/36/44/08/530364408.db2.gz AYTHZEYGFDXDAX-UHFFFAOYSA-N -1 3 377.413 0.365 10 0 GCAEHM Cn1cc([C@H]2CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)cn1 ZINC000171351627 530349875 /nfs/dbraw/zinc/34/98/75/530349875.db2.gz QVFDFIJAOHRZKV-LLVKDONJSA-N -1 3 382.218 0.396 10 0 GCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000366651611 530410531 /nfs/dbraw/zinc/41/05/31/530410531.db2.gz IWJIYTFZEQBBLM-LLVKDONJSA-N -1 3 388.467 0.593 10 0 GCAEHM CS(=O)(=O)CC1(Cn2cc(I)c(=O)[n-]c2=O)CC1 ZINC000568533044 530560772 /nfs/dbraw/zinc/56/07/72/530560772.db2.gz OEPJNLLRIHBELN-UHFFFAOYSA-N -1 3 384.195 0.378 10 0 GCAEHM C[C@H]1CN(CCC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000105668103 530565158 /nfs/dbraw/zinc/56/51/58/530565158.db2.gz URGXDFVVQPLZKV-KBPBESRZSA-N -1 3 390.527 0.868 10 0 GCAEHM Cn1ccc(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000535740970 530582508 /nfs/dbraw/zinc/58/25/08/530582508.db2.gz SZTVBNBOAFXGNS-UHFFFAOYSA-N -1 3 377.879 0.913 10 0 GCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000519587380 530597461 /nfs/dbraw/zinc/59/74/61/530597461.db2.gz XGMSGZWUTPNTNO-TZMCWYRMSA-N -1 3 390.458 0.282 10 0 GCAEHM COc1ccsc1S(=O)(=O)[N-]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000532376455 530667255 /nfs/dbraw/zinc/66/72/55/530667255.db2.gz DJHLFARNWYOKSV-UHFFFAOYSA-N -1 3 387.527 0.979 10 0 GCAEHM CCOC(=O)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CCC1 ZINC000469134843 530685735 /nfs/dbraw/zinc/68/57/35/530685735.db2.gz WWKPHXVGYMESKB-UHFFFAOYSA-N -1 3 388.218 0.656 10 0 GCAEHM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)c1 ZINC000479135702 530755463 /nfs/dbraw/zinc/75/54/63/530755463.db2.gz WZSJNTRODIGOAC-NSHDSACASA-N -1 3 390.405 0.840 10 0 GCAEHM CC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000477988298 530747831 /nfs/dbraw/zinc/74/78/31/530747831.db2.gz KGNIBKDCFHXIRC-VIFPVBQESA-N -1 3 379.891 0.759 10 0 GCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000491606940 530834263 /nfs/dbraw/zinc/83/42/63/530834263.db2.gz KAXKLVHFXAORLL-GFCCVEGCSA-N -1 3 389.499 0.226 10 0 GCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000487333596 530811823 /nfs/dbraw/zinc/81/18/23/530811823.db2.gz GPXXBFHFNXHOHZ-YUMQZZPRSA-N -1 3 382.360 0.839 10 0 GCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000487373896 530813273 /nfs/dbraw/zinc/81/32/73/530813273.db2.gz ZHKQIJDZNJVVPD-BDAKNGLRSA-N -1 3 392.455 0.269 10 0 GCAEHM O=C(c1ccc(I)c([O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405683403 530820222 /nfs/dbraw/zinc/82/02/22/530820222.db2.gz MQLAYJXOTWHBMA-WDEREUQCSA-N -1 3 388.205 0.888 10 0 GCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181337773 530853410 /nfs/dbraw/zinc/85/34/10/530853410.db2.gz DTEXFQMEIXZFDE-YPMHNXCESA-N -1 3 383.499 0.322 10 0 GCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H](CO)C1CC1 ZINC000460942049 530854793 /nfs/dbraw/zinc/85/47/93/530854793.db2.gz VUAFMVGMGURSHY-JTQLQIEISA-N -1 3 381.907 0.998 10 0 GCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000656907860 530859399 /nfs/dbraw/zinc/85/93/99/530859399.db2.gz LBRUNMNLHYLJNH-DGCLKSJQSA-N -1 3 385.511 0.975 10 0 GCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000656907864 530859433 /nfs/dbraw/zinc/85/94/33/530859433.db2.gz LBRUNMNLHYLJNH-YPMHNXCESA-N -1 3 385.511 0.975 10 0 GCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Br)s3)C2)N1 ZINC000096767792 530925461 /nfs/dbraw/zinc/92/54/61/530925461.db2.gz FWCQQAUKIFOFCW-JTQLQIEISA-N -1 3 380.245 0.483 10 0 GCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125478074 530937910 /nfs/dbraw/zinc/93/79/10/530937910.db2.gz NNAGUEUDUPXQMQ-UHFFFAOYSA-N -1 3 382.218 0.428 10 0 GCAEHM COc1nnc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)[n-]1 ZINC000182990345 530965086 /nfs/dbraw/zinc/96/50/86/530965086.db2.gz OMJVWWCAWUEDKW-UHFFFAOYSA-N -1 3 379.174 0.924 10 0 GCAEHM COc1nc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)n[n-]1 ZINC000182990345 530965092 /nfs/dbraw/zinc/96/50/92/530965092.db2.gz OMJVWWCAWUEDKW-UHFFFAOYSA-N -1 3 379.174 0.924 10 0 GCAEHM COc1n[n-]c(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000182990345 530965094 /nfs/dbraw/zinc/96/50/94/530965094.db2.gz OMJVWWCAWUEDKW-UHFFFAOYSA-N -1 3 379.174 0.924 10 0 GCAEHM CC(C)c1nc2n(n1)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)CC2 ZINC000136807646 530948723 /nfs/dbraw/zinc/94/87/23/530948723.db2.gz XRJIKBYNQROMDX-LLVKDONJSA-N -1 3 383.499 0.873 10 0 GCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCSC[C@@H]1CCO ZINC000540415771 531049508 /nfs/dbraw/zinc/04/95/08/531049508.db2.gz HJCWRWUHJFFAGM-NSHDSACASA-N -1 3 379.529 0.536 10 0 GCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)s1 ZINC000537657663 531075815 /nfs/dbraw/zinc/07/58/15/531075815.db2.gz SCAHPJFHRWMLMP-MRXNPFEDSA-N -1 3 390.527 0.883 10 0 GCAEHM COc1cc(S(N)(=O)=O)c(OC)cc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000546020585 531089531 /nfs/dbraw/zinc/08/95/31/531089531.db2.gz XOOKOTHBWGBQHS-VIFPVBQESA-N -1 3 379.460 0.492 10 0 GCAEHM C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)N1CCOCC1 ZINC000134441226 531097413 /nfs/dbraw/zinc/09/74/13/531097413.db2.gz CYVVCWXIHGBXTI-SECBINFHSA-N -1 3 378.248 0.370 10 0 GCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCSC[C@H]1CCO ZINC000678209479 531150638 /nfs/dbraw/zinc/15/06/38/531150638.db2.gz RLXBYDQJKGPKQQ-CMPLNLGQSA-N -1 3 377.488 0.285 10 0 GCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC1(CCO)CCOCC1 ZINC000680936150 531163037 /nfs/dbraw/zinc/16/30/37/531163037.db2.gz OZAVRPCLBUCKDT-NSHDSACASA-N -1 3 375.447 0.006 10 0 GCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000328615191 212085101 /nfs/dbraw/zinc/08/51/01/212085101.db2.gz YARPTIXYXFADAS-MJBXVCDLSA-N -1 3 385.490 0.342 10 0 GCAEHM O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc([O-])cc1 ZINC000014855620 221317421 /nfs/dbraw/zinc/31/74/21/221317421.db2.gz FTFZXPBVBBJTHV-OGJJZOIMSA-N -1 3 392.360 0.141 10 0 biogenic GCAEHM COC(=O)c1cc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)ccc1[O-] ZINC000048365273 570245473 /nfs/dbraw/zinc/24/54/73/570245473.db2.gz BATGQPIUBPRFGF-HNNXBMFYSA-N -1 3 390.417 0.780 10 0 GCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000071972392 639965443 /nfs/dbraw/zinc/96/54/43/639965443.db2.gz PPRAQEVRBVCBKG-CYBMUJFWSA-N -1 3 377.942 0.932 10 0 GCAEHM C[C@@H](CC(=O)N1CC[C@@H](NC(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000763217035 640623132 /nfs/dbraw/zinc/62/31/32/640623132.db2.gz XWJFVSIRVMUKGI-VHSXEESVSA-N -1 3 389.865 0.061 10 0 GCAEHM COC[C@@](C)(CO)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000768451813 640752837 /nfs/dbraw/zinc/75/28/37/640752837.db2.gz KKQPNMONDJWKNY-IINYFYTJSA-N -1 3 379.866 0.306 10 0 GCAEHM CC(=O)N1CSC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799407326 641605196 /nfs/dbraw/zinc/60/51/96/641605196.db2.gz WNPZVPUADYEXAL-GFCCVEGCSA-N -1 3 393.437 0.281 10 0 GCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1=O ZINC000801713294 642138382 /nfs/dbraw/zinc/13/83/82/642138382.db2.gz DOPSAPSCAMUQEU-ZETCQYMHSA-N -1 3 386.904 0.704 10 0 GCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c(C)o1 ZINC000408392317 1192611526 /nfs/dbraw/zinc/61/15/26/1192611526.db2.gz BHPSABKDPAARQW-CYBMUJFWSA-N -1 3 383.470 0.971 10 0 GCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000684493928 1186009789 /nfs/dbraw/zinc/00/97/89/1186009789.db2.gz TUVQAFBBXYGSKT-PWSUYJOCSA-N -1 3 386.474 0.475 10 0 GCAEHM CCOC(=O)[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC12COC2 ZINC000458649283 1186925489 /nfs/dbraw/zinc/92/54/89/1186925489.db2.gz HNOPWUQITLKFON-MRVPVSSYSA-N -1 3 377.323 0.545 10 0 GCAEHM CCOC(=O)[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC12COC2 ZINC000458649294 1186925522 /nfs/dbraw/zinc/92/55/22/1186925522.db2.gz HNOPWUQITLKFON-QMMMGPOBSA-N -1 3 377.323 0.545 10 0 GCAEHM CCc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000408074481 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