smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])c3cccc(c23)C1=O ZINC000000631335 539331560 /nfs/dbraw/zinc/33/15/60/539331560.db2.gz GWXPEKYEANOENV-CQSZACIVSA-N -1 0 374.418 2.058 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 ZINC000000811637 539334308 /nfs/dbraw/zinc/33/43/08/539334308.db2.gz LEMVXFLDSISVNM-MRXNPFEDSA-N -1 0 362.382 2.281 50 0 biogenic FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000000811961 539334418 /nfs/dbraw/zinc/33/44/18/539334418.db2.gz HVASBZNSACASNO-UHFFFAOYSA-N -1 0 351.380 2.276 50 0 FEAARM CC/C(NN1CCCCC1)=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009334913 539501608 /nfs/dbraw/zinc/50/16/08/539501608.db2.gz DLUNLBQXKCNYRC-FOCLMDBBSA-N -1 0 356.426 2.232 50 0 FEAARM CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2C[C@H]1C ZINC000011174905 539525402 /nfs/dbraw/zinc/52/54/02/539525402.db2.gz UNZNZNMLQXOYKC-LLVKDONJSA-N -1 0 374.418 2.483 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013003851 539582468 /nfs/dbraw/zinc/58/24/68/539582468.db2.gz HCKZEGBXYVWCGS-GHMZBOCLSA-N -1 0 363.366 2.096 50 0 FEAARM CN1C(=O)c2ccc(NC(=O)C[C@](C)(C(=O)[O-])c3ccccc3)cc2C1=O ZINC000013252393 539584869 /nfs/dbraw/zinc/58/48/69/539584869.db2.gz ZHSKUBYYBCZGCY-FQEVSTJZSA-N -1 0 366.373 2.284 50 0 FEAARM O=C([O-])c1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000016042230 539626441 /nfs/dbraw/zinc/62/64/41/539626441.db2.gz ONHACSZYTRSPKH-GXTWGEPZSA-N -1 0 353.378 2.198 50 0 FEAARM CCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000021777782 539687134 /nfs/dbraw/zinc/68/71/34/539687134.db2.gz FNOWKBMEHLYUJE-UHFFFAOYSA-N -1 0 366.834 2.246 50 0 FEAARM COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000025461730 539760549 /nfs/dbraw/zinc/76/05/49/539760549.db2.gz WZFGLKLBGYNHGN-CQSZACIVSA-N -1 0 370.361 2.146 50 0 FEAARM COc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1OC ZINC000026538986 539789132 /nfs/dbraw/zinc/78/91/32/539789132.db2.gz KMHZVPBOTZWSEO-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1N1CCCC1=O ZINC000030521932 539883538 /nfs/dbraw/zinc/88/35/38/539883538.db2.gz WITASJJVYKWBGG-KBPBESRZSA-N -1 0 358.394 2.428 50 0 FEAARM CCS(=O)(=O)N1CCC(n2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000032778525 539952972 /nfs/dbraw/zinc/95/29/72/539952972.db2.gz FJVQALBKUMDUIK-UHFFFAOYSA-N -1 0 353.469 2.046 50 0 FEAARM Cc1c(CC(=O)[O-])c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000034600373 539976771 /nfs/dbraw/zinc/97/67/71/539976771.db2.gz YOPFAMROKXHVCQ-UHFFFAOYSA-N -1 0 358.419 2.424 50 0 investigational FEAARM CC(C)COc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)cc1 ZINC000034763946 539977599 /nfs/dbraw/zinc/97/75/99/539977599.db2.gz HDCMAHCALFYCEO-UHFFFAOYSA-N -1 0 356.426 2.490 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000038773842 540000730 /nfs/dbraw/zinc/00/07/30/540000730.db2.gz SJWBXQCPIKRCBM-WMZOPIPTSA-N -1 0 350.374 2.284 50 0 FEAARM CCc1nc2c([N-]S(=O)(=O)c3cccc4nsnc43)cccn2n1 ZINC000065283974 541233081 /nfs/dbraw/zinc/23/30/81/541233081.db2.gz UTECOUKXJSXUHW-UHFFFAOYSA-N -1 0 360.424 2.097 50 0 FEAARM Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072141943 541787377 /nfs/dbraw/zinc/78/73/77/541787377.db2.gz ALGJGFVXYVDFII-INIZCTEOSA-N -1 0 368.433 2.405 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000072425990 541811314 /nfs/dbraw/zinc/81/13/14/541811314.db2.gz KVWDEWXDMGHCFW-MRXNPFEDSA-N -1 0 353.422 2.406 50 0 FEAARM CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000072428172 541812078 /nfs/dbraw/zinc/81/20/78/541812078.db2.gz KLLQMDLPDNYJCQ-OAHLLOKOSA-N -1 0 352.394 2.151 50 0 FEAARM COc1ccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)c(OC)c1OC ZINC000299766575 203759128 /nfs/dbraw/zinc/75/91/28/203759128.db2.gz CZPBMZLZFJLIRA-UHFFFAOYSA-N -1 0 356.338 2.053 50 0 FEAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072454799 541816817 /nfs/dbraw/zinc/81/68/17/541816817.db2.gz KTZZGYHNDOVRJG-FQEVSTJZSA-N -1 0 368.437 2.160 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000001088129 203981877 /nfs/dbraw/zinc/98/18/77/203981877.db2.gz BUFLGPZTYBJDPG-DLBZAZTESA-N -1 0 358.419 2.254 50 0 FEAARM Cc1c2c(cc(=O)n1Cc1cccnc1)[n-]n(-c1nc3ccccc3[nH]1)c2=O ZINC000001408258 204005616 /nfs/dbraw/zinc/00/56/16/204005616.db2.gz YAROCZVGAFYKGH-UHFFFAOYSA-N -1 0 372.388 2.109 50 0 FEAARM CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002097969 204026436 /nfs/dbraw/zinc/02/64/36/204026436.db2.gz RROWKSFDBTZTPK-HNNXBMFYSA-N -1 0 359.378 2.030 50 0 biogenic FEAARM COC(=O)[C@@]([N-]c1nccs1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002305271 204033361 /nfs/dbraw/zinc/03/33/61/204033361.db2.gz PMFFOAKEJDQVMG-ZDUSSCGKSA-N -1 0 359.329 2.417 50 0 FEAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000002780072 204057182 /nfs/dbraw/zinc/05/71/82/204057182.db2.gz PJQZPMCIZLCPBX-UHFFFAOYSA-N -1 0 362.407 2.162 50 0 FEAARM CCCNC(=O)c1nn(CC)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000002794728 204058488 /nfs/dbraw/zinc/05/84/88/204058488.db2.gz PCIOBYBZKYHSFQ-UHFFFAOYSA-N -1 0 364.471 2.460 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2cnn(COc3cccc(Cl)c3)c2)cn1 ZINC000002803744 204060010 /nfs/dbraw/zinc/06/00/10/204060010.db2.gz GOIYJNSZJBIVNA-UHFFFAOYSA-N -1 0 367.818 2.107 50 0 FEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000002805027 204060108 /nfs/dbraw/zinc/06/01/08/204060108.db2.gz LVSIOZKRKARQGX-UHFFFAOYSA-N -1 0 365.846 2.428 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c12 ZINC000004081348 204120085 /nfs/dbraw/zinc/12/00/85/204120085.db2.gz SDOFJRBZPHZENA-ZDUSSCGKSA-N -1 0 359.378 2.037 50 0 biogenic FEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000004197009 204127680 /nfs/dbraw/zinc/12/76/80/204127680.db2.gz IHVSYGJVGWCWRK-BBWFWOEESA-N -1 0 374.437 2.425 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4)c=3c2=O)cc1 ZINC000004483535 204141445 /nfs/dbraw/zinc/14/14/45/204141445.db2.gz RLFFRZCLUNYEQL-JKSUJKDBSA-N -1 0 354.341 2.328 50 0 FEAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000005235505 204198467 /nfs/dbraw/zinc/19/84/67/204198467.db2.gz ZSFPOBACWDXNLK-SFHVURJKSA-N -1 0 361.394 2.268 50 0 FEAARM O=C(O[C@@H]1CCOC1=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006438231 204248335 /nfs/dbraw/zinc/24/83/35/204248335.db2.gz GBQLSBAZEMYALU-GFCCVEGCSA-N -1 0 367.404 2.021 50 0 FEAARM O=C([O-])c1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1 ZINC000006862990 204277387 /nfs/dbraw/zinc/27/73/87/204277387.db2.gz VOJFLMFIAPWVIZ-GXDHUFHOSA-N -1 0 374.418 2.434 50 0 FEAARM CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cc2C[C@H]1C ZINC000009338409 204364827 /nfs/dbraw/zinc/36/48/27/204364827.db2.gz SDIKEUQXBJLQRM-LLVKDONJSA-N -1 0 374.418 2.483 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccn2)cc1OC ZINC000009421822 204367269 /nfs/dbraw/zinc/36/72/69/204367269.db2.gz NJIDDBBNZZWOGJ-UHFFFAOYSA-N -1 0 374.422 2.394 50 0 FEAARM Cn1c(SCC(=O)Nc2ccccc2C(=O)[O-])nnc1-c1ccncc1 ZINC000010678294 204399377 /nfs/dbraw/zinc/39/93/77/204399377.db2.gz YLOBSQHKZDJZCJ-UHFFFAOYSA-N -1 0 369.406 2.306 50 0 FEAARM O=C([O-])c1cccc(NC(=O)CCC2=NS(=O)(=O)c3ccccc3N2)c1 ZINC000021661341 204757905 /nfs/dbraw/zinc/75/79/05/204757905.db2.gz MWZOKIQQBZRENK-UHFFFAOYSA-N -1 0 373.390 2.316 50 0 FEAARM COc1ccc(C2(CNC(=O)c3ccc(C(=O)[O-])nc3)CCOCC2)cc1 ZINC000299156527 205048185 /nfs/dbraw/zinc/04/81/85/205048185.db2.gz MRIKQDBDFOYDGV-UHFFFAOYSA-N -1 0 370.405 2.267 50 0 FEAARM COc1ccc(-c2nc(C)c(C(=O)NCCC(=O)[O-])s2)cc1OC ZINC000040286640 205065724 /nfs/dbraw/zinc/06/57/24/205065724.db2.gz RIJBTRVHVOIFPB-UHFFFAOYSA-N -1 0 350.396 2.340 50 0 FEAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000084507116 205123821 /nfs/dbraw/zinc/12/38/21/205123821.db2.gz LSPBMWNYNXPCNK-SECBINFHSA-N -1 0 353.318 2.071 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cs2)cn1 ZINC000299742032 205124810 /nfs/dbraw/zinc/12/48/10/205124810.db2.gz ASFVDFOXFLXQOR-HONMWMINSA-N -1 0 360.439 2.402 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000299742816 205124937 /nfs/dbraw/zinc/12/49/37/205124937.db2.gz KQDVNQSTPPSVJS-HNNXBMFYSA-N -1 0 359.403 2.227 50 0 FEAARM C[C@H]1Oc2c(cccc2C(=O)N(CC(=O)[O-])Cc2ccccc2)NC1=O ZINC000299744324 205126417 /nfs/dbraw/zinc/12/64/17/205126417.db2.gz OFQACDAWNBPKNF-GFCCVEGCSA-N -1 0 354.362 2.133 50 0 FEAARM CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299747050 205126649 /nfs/dbraw/zinc/12/66/49/205126649.db2.gz BZBUEBZJJGOTPF-MLGOLLRUSA-N -1 0 357.353 2.070 50 0 FEAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccco3)c3ccc(F)cc3)[n-]c2n1 ZINC000046020731 205128886 /nfs/dbraw/zinc/12/88/86/205128886.db2.gz XPBIREYHCFEBLF-UHFFFAOYSA-N -1 0 367.340 2.305 50 0 FEAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2nc(C(=O)[O-])cs2)CC1=O ZINC000299750885 205133457 /nfs/dbraw/zinc/13/34/57/205133457.db2.gz OQFGDYBVOQOYTH-DGCLKSJQSA-N -1 0 373.434 2.067 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCc1nc(-c2ccco2)no1 ZINC000055054122 205204283 /nfs/dbraw/zinc/20/42/83/205204283.db2.gz ACYZXXXDSDKMBW-AWEZNQCLSA-N -1 0 369.377 2.464 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1F ZINC000058404916 205274468 /nfs/dbraw/zinc/27/44/68/205274468.db2.gz LLCUOLSECXHORY-UHFFFAOYSA-N -1 0 353.371 2.287 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 ZINC000058014344 205246982 /nfs/dbraw/zinc/24/69/82/205246982.db2.gz ZOTRHWZVIXWDHM-QWHCGFSZSA-N -1 0 371.455 2.099 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)c(OC)c1 ZINC000065183564 205322433 /nfs/dbraw/zinc/32/24/33/205322433.db2.gz JLYFLKOAHQZPPB-UHFFFAOYSA-N -1 0 368.440 2.226 50 0 FEAARM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc21 ZINC000064861540 205307153 /nfs/dbraw/zinc/30/71/53/205307153.db2.gz FEWGIIJVNNZZIG-UHFFFAOYSA-N -1 0 360.439 2.365 50 0 FEAARM COc1ccc(C)cc1-n1c(SCC(=O)[O-])nnc1-c1cc(C)nn1C ZINC000065396517 205345559 /nfs/dbraw/zinc/34/55/59/205345559.db2.gz XNOJISVTKJYVEQ-UHFFFAOYSA-N -1 0 373.438 2.470 50 0 FEAARM CCSc1nc(CC(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000067588761 205376833 /nfs/dbraw/zinc/37/68/33/205376833.db2.gz GTZAEKOZFFPVHO-LBPRGKRZSA-N -1 0 354.457 2.080 50 0 FEAARM CC(C)Cc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cc1 ZINC000095354040 205724873 /nfs/dbraw/zinc/72/48/73/205724873.db2.gz ASVBPIJAFAOSKJ-QGZVFWFLSA-N -1 0 372.465 2.423 50 0 FEAARM O=C([O-])CCNC(=O)C1(c2cccc(Br)c2)CCOCC1 ZINC000095405747 205753334 /nfs/dbraw/zinc/75/33/34/205753334.db2.gz NRFSRECMKRABJP-UHFFFAOYSA-N -1 0 356.216 2.088 50 0 FEAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424636 205756092 /nfs/dbraw/zinc/75/60/92/205756092.db2.gz KKRGTWRCILHAOR-BLVKFPJESA-N -1 0 359.426 2.179 50 0 FEAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1)NCC(F)(F)F ZINC000044037945 206062008 /nfs/dbraw/zinc/06/20/08/206062008.db2.gz WYJRMASHCCVXJF-UHFFFAOYSA-N -1 0 373.356 2.103 50 0 FEAARM Cn1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000237713289 206107210 /nfs/dbraw/zinc/10/72/10/206107210.db2.gz XOUMIOPUKIEJOX-CYBMUJFWSA-N -1 0 356.300 2.123 50 0 FEAARM Cc1nn(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c(C)c1CCC(=O)[O-] ZINC000237665517 206108065 /nfs/dbraw/zinc/10/80/65/206108065.db2.gz ILNUVHDTPBZBBQ-KRWDZBQOSA-N -1 0 371.437 2.415 50 0 FEAARM Cc1nc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc2n1-c1ccccc1 ZINC000237842077 206108708 /nfs/dbraw/zinc/10/87/08/206108708.db2.gz WCGPIICOTRLLRD-GOSISDBHSA-N -1 0 365.389 2.260 50 0 FEAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)[C@H]1C[C@H]1c1cccnc1 ZINC000124091458 206116015 /nfs/dbraw/zinc/11/60/15/206116015.db2.gz TYJXGXKQHRWAJT-HOTGVXAUSA-N -1 0 353.403 2.238 50 0 FEAARM O=C([O-])[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000002665387 206156037 /nfs/dbraw/zinc/15/60/37/206156037.db2.gz DKIDUEFGXKKXNI-WZYWGQKZSA-N -1 0 354.399 2.316 50 0 biogenic FEAARM CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000004085328 206168169 /nfs/dbraw/zinc/16/81/69/206168169.db2.gz KFPISKGRZHKJSV-WOSRLPQWSA-N -1 0 362.451 2.260 50 0 biogenic FEAARM CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000002566287 206230208 /nfs/dbraw/zinc/23/02/08/206230208.db2.gz YCYXUKRYYSXSLJ-HZPDHXFCSA-N -1 0 362.426 2.403 50 0 FEAARM CO[C@H](C)c1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000170654715 206278034 /nfs/dbraw/zinc/27/80/34/206278034.db2.gz HHWVEZCMYLYMIG-SECBINFHSA-N -1 0 358.416 2.417 50 0 FEAARM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000170653567 206278701 /nfs/dbraw/zinc/27/87/01/206278701.db2.gz OOWYGXUGJDRRGO-DOMZBBRYSA-N -1 0 361.467 2.393 50 0 FEAARM Cc1cc(C(=O)NC(C)(C)CCc2ccccc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174548954 206287666 /nfs/dbraw/zinc/28/76/66/206287666.db2.gz LTGLYMHLUDUKLT-UHFFFAOYSA-N -1 0 366.421 2.473 50 0 FEAARM CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000013079218 206299428 /nfs/dbraw/zinc/29/94/28/206299428.db2.gz AFOLZGYYQVMTHY-UHFFFAOYSA-N -1 0 362.407 2.162 50 0 FEAARM Cc1sc([N-]S(C)(=O)=O)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019951948 206328510 /nfs/dbraw/zinc/32/85/10/206328510.db2.gz DXPRCNAVFWGHKG-SSDOTTSWSA-N -1 0 353.425 2.209 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CC=CCC2)c(Br)o1 ZINC000055329845 206380545 /nfs/dbraw/zinc/38/05/45/206380545.db2.gz BXJUUUBKMYOWKG-MRVPVSSYSA-N -1 0 364.217 2.375 50 0 FEAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854277 206394029 /nfs/dbraw/zinc/39/40/29/206394029.db2.gz VRGAFULOEFCSFB-OAHLLOKOSA-N -1 0 374.466 2.489 50 0 FEAARM CCn1c(C)nnc1S([O-])=CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000079000099 542493230 /nfs/dbraw/zinc/49/32/30/542493230.db2.gz MGZRVAWCAXNHDJ-HSZRJFAPSA-N -1 0 354.863 2.026 50 0 FEAARM O=C1[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CCN1c1ccccc1F ZINC000079028082 542495466 /nfs/dbraw/zinc/49/54/66/542495466.db2.gz GVRLZXOWGCJOPZ-CYBMUJFWSA-N -1 0 370.352 2.188 50 0 FEAARM O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000079075410 542498012 /nfs/dbraw/zinc/49/80/12/542498012.db2.gz LWJXQYUGQOOJKF-UHFFFAOYSA-N -1 0 366.389 2.321 50 0 FEAARM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nc(N3CCOCC3)n2)s1 ZINC000095944120 132216184 /nfs/dbraw/zinc/21/61/84/132216184.db2.gz VUWWHAZDNLPZOH-UHFFFAOYSA-N -1 0 368.484 2.046 50 0 FEAARM O=C([O-])[C@H]1CN(c2nccc(-c3ccncc3)n2)CCN1c1ccccc1 ZINC000096137005 132220093 /nfs/dbraw/zinc/22/00/93/132220093.db2.gz SXDROVIIIFZAHY-GOSISDBHSA-N -1 0 361.405 2.318 50 0 FEAARM CC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078752 132930496 /nfs/dbraw/zinc/93/04/96/132930496.db2.gz JDEWDMIOGUUJLI-UHFFFAOYSA-N -1 0 373.434 2.367 50 0 FEAARM Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N([C@@H](C)C(=O)[O-])C2)CC1 ZINC000091441113 542807927 /nfs/dbraw/zinc/80/79/27/542807927.db2.gz IFMFFXJXVJKAJZ-AWEZNQCLSA-N -1 0 374.437 2.019 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C(=O)[O-] ZINC000091504683 542810709 /nfs/dbraw/zinc/81/07/09/542810709.db2.gz NBPJTYJCQBDSBB-LSDHHAIUSA-N -1 0 350.378 2.207 50 0 FEAARM COc1ccc(F)c(F)c1C(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000091486181 542810804 /nfs/dbraw/zinc/81/08/04/542810804.db2.gz CDQNZIMMSYAYOG-NWDGAFQWSA-N -1 0 362.332 2.309 50 0 FEAARM Cc1nc2ccccc2nc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000091985624 542834710 /nfs/dbraw/zinc/83/47/10/542834710.db2.gz YSPAWDCNFPHRMY-UHFFFAOYSA-N -1 0 351.410 2.168 50 0 FEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CN2CCc3ccccc3C2)C1 ZINC000091997434 542835430 /nfs/dbraw/zinc/83/54/30/542835430.db2.gz LZACTASIHQAWHN-NRFANRHFSA-N -1 0 374.481 2.165 50 0 FEAARM Cc1cc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)cnc1C ZINC000092028394 542838700 /nfs/dbraw/zinc/83/87/00/542838700.db2.gz HRRGPFUEYZFHHJ-JKSUJKDBSA-N -1 0 368.389 2.368 50 0 FEAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C(=O)[O-])c3c(C)n[nH]c3C)cc2)n1 ZINC000095367028 542960578 /nfs/dbraw/zinc/96/05/78/542960578.db2.gz OUWAFBPHURDZLS-KRWDZBQOSA-N -1 0 367.409 2.385 50 0 FEAARM CN(Cc1ccco1)[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000095384780 542966371 /nfs/dbraw/zinc/96/63/71/542966371.db2.gz BOHSCCPVYYXNKH-QGZVFWFLSA-N -1 0 373.409 2.401 50 0 FEAARM O=S(=O)([N-]c1cccc2c1C[C@H](O)C2)c1cnn(Cc2ccccc2)c1 ZINC000095407632 542969147 /nfs/dbraw/zinc/96/91/47/542969147.db2.gz TWWNXFLZHFQDRX-MRXNPFEDSA-N -1 0 369.446 2.192 50 0 FEAARM COc1ccc(-c2ccc(C(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])o2)cc1 ZINC000096133560 542992830 /nfs/dbraw/zinc/99/28/30/542992830.db2.gz YSWLXZRJOLGFOU-HNNXBMFYSA-N -1 0 367.361 2.330 50 0 FEAARM CCc1noc(C)c1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096131708 542992861 /nfs/dbraw/zinc/99/28/61/542992861.db2.gz JDUXWOVDBAQWHX-BFUOFWGJSA-N -1 0 356.378 2.248 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc3c(c2)OCO3)s1 ZINC000098054832 543019482 /nfs/dbraw/zinc/01/94/82/543019482.db2.gz QMXWMTGWYIZPEA-XQRVVYSFSA-N -1 0 351.405 2.304 50 0 FEAARM CCC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccccc1 ZINC000101495635 543027686 /nfs/dbraw/zinc/02/76/86/543027686.db2.gz XZKKCWAHXDHPPL-ZDUSSCGKSA-N -1 0 372.450 2.247 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000136156855 544367606 /nfs/dbraw/zinc/36/76/06/544367606.db2.gz NYEZNSUVDLQUDO-ZDUSSCGKSA-N -1 0 357.410 2.382 50 0 FEAARM O=C([O-])COc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000268898960 263466655 /nfs/dbraw/zinc/46/66/55/263466655.db2.gz ALUOGOYOJXMCLJ-UHFFFAOYSA-N -1 0 368.389 2.207 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnc(-c2ncccn2)s1 ZINC000268896388 263466660 /nfs/dbraw/zinc/46/66/60/263466660.db2.gz CNGONONHMMBXQN-UTUOFQBUSA-N -1 0 358.423 2.458 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3ccccc3Cl)n2)CCO1 ZINC000238132174 328541877 /nfs/dbraw/zinc/54/18/77/328541877.db2.gz BRRAPEHNOKJIHE-GFCCVEGCSA-N -1 0 352.799 2.389 50 0 FEAARM Cc1noc(C)c1COc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000178262724 327575137 /nfs/dbraw/zinc/57/51/37/327575137.db2.gz FTMUVQVWWWVSRQ-HNNXBMFYSA-N -1 0 358.394 2.346 50 0 FEAARM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2CCc3ccccc3C2)s1 ZINC000264927819 329075540 /nfs/dbraw/zinc/07/55/40/329075540.db2.gz ODWACOMPLZQJQV-JTQLQIEISA-N -1 0 366.468 2.043 50 0 FEAARM CCc1nc(COc2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)no1 ZINC000268907372 522363508 /nfs/dbraw/zinc/36/35/08/522363508.db2.gz CZJLPHWGJIFOHX-CYBMUJFWSA-N -1 0 359.382 2.148 50 0 FEAARM Cc1cccc(N2C[C@@H](C(=O)NCc3nc(C(=O)[O-])cs3)CC2=O)c1C ZINC000268904587 524565229 /nfs/dbraw/zinc/56/52/29/524565229.db2.gz KXEBNUFFBJDJKX-LBPRGKRZSA-N -1 0 373.434 2.127 50 0 FEAARM C[C@H]1Oc2c(cccc2C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)NC1=O ZINC000299749430 525058821 /nfs/dbraw/zinc/05/88/21/525058821.db2.gz KHHXZLLYULXNCI-MEBBXXQBSA-N -1 0 372.352 2.491 50 0 FEAARM CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c2ccccc2)c1 ZINC000262371815 525275817 /nfs/dbraw/zinc/27/58/17/525275817.db2.gz GMBDEXBUCGOCTB-BRWVUGGUSA-N -1 0 373.430 2.016 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237599757 525363384 /nfs/dbraw/zinc/36/33/84/525363384.db2.gz QTPJMTXEQNVSJK-DGCLKSJQSA-N -1 0 372.343 2.038 50 0 FEAARM Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)C2 ZINC000268903077 525593503 /nfs/dbraw/zinc/59/35/03/525593503.db2.gz HOQWMQCKXUQDFO-GOSISDBHSA-N -1 0 355.390 2.387 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000268935914 526271131 /nfs/dbraw/zinc/27/11/31/526271131.db2.gz HIDFRCOYCQHZGM-RNCFNFMXSA-N -1 0 368.842 2.466 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000269039314 527630781 /nfs/dbraw/zinc/63/07/81/527630781.db2.gz QALISCYFUJEAFN-KGYLQXTDSA-N -1 0 373.327 2.391 50 0 FEAARM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1sc2sccc2c1Cl ZINC000170596780 546161936 /nfs/dbraw/zinc/16/19/36/546161936.db2.gz BXNHQTMEMRNWDY-ZETCQYMHSA-N -1 0 358.828 2.032 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000170534491 546162411 /nfs/dbraw/zinc/16/24/11/546162411.db2.gz NPKUYNPXTUNXBW-KRWDZBQOSA-N -1 0 352.390 2.050 50 0 FEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000170639095 546167940 /nfs/dbraw/zinc/16/79/40/546167940.db2.gz WAHFTEMUBYVUBI-KBPBESRZSA-N -1 0 355.463 2.500 50 0 FEAARM O=S(=O)([N-]c1cccc(CN2CCOCC2)n1)c1ccc2c(c1)CCC2 ZINC000179964097 547033754 /nfs/dbraw/zinc/03/37/54/547033754.db2.gz YJJIUGIRKZTNCM-UHFFFAOYSA-N -1 0 373.478 2.203 50 0 FEAARM CC(C)c1nc(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cs1 ZINC000225443697 548735670 /nfs/dbraw/zinc/73/56/70/548735670.db2.gz HLBJYOHQRUYMIX-UHFFFAOYSA-N -1 0 351.394 2.382 50 0 FEAARM O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000225851916 548744949 /nfs/dbraw/zinc/74/49/49/548744949.db2.gz QSRUXKRYFREREL-QMMMGPOBSA-N -1 0 368.296 2.096 50 0 FEAARM COCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC000242038585 548886097 /nfs/dbraw/zinc/88/60/97/548886097.db2.gz VMHQKUXZANAMJF-UHFFFAOYSA-N -1 0 361.778 2.478 50 0 FEAARM COc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262900673 549860387 /nfs/dbraw/zinc/86/03/87/549860387.db2.gz BHOLKCVYFSUMSR-QGZVFWFLSA-N -1 0 356.378 2.364 50 0 FEAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000262936461 549864442 /nfs/dbraw/zinc/86/44/42/549864442.db2.gz GZEBAUIKHKRFJI-SFHVURJKSA-N -1 0 367.401 2.460 50 0 FEAARM CCc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263328555 549895108 /nfs/dbraw/zinc/89/51/08/549895108.db2.gz LHYPAKDLRJIVBD-UHFFFAOYSA-N -1 0 353.440 2.026 50 0 FEAARM C[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000269089335 550153303 /nfs/dbraw/zinc/15/33/03/550153303.db2.gz QBBRMWUYZZFDEY-CDAZIORVSA-N -1 0 370.199 2.165 50 0 FEAARM CCCc1cc(=O)n(-c2ccc(C(=O)N3CCC(C)(C(=O)[O-])CC3)cc2)[nH]1 ZINC000299801165 553616570 /nfs/dbraw/zinc/61/65/70/553616570.db2.gz VHHGPSQBUCCBMJ-UHFFFAOYSA-N -1 0 371.437 2.445 50 0 FEAARM CCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)s1 ZINC000321316084 553766593 /nfs/dbraw/zinc/76/65/93/553766593.db2.gz NFKRYUCFZUQSKE-ZDUSSCGKSA-N -1 0 353.421 2.351 50 0 FEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCCO2)c1 ZINC000390826977 558611771 /nfs/dbraw/zinc/61/17/71/558611771.db2.gz DEXODGZSSPMTKN-CQSZACIVSA-N -1 0 369.418 2.401 50 0 FEAARM Cc1ccc(CNC(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cc1 ZINC000426548742 559737553 /nfs/dbraw/zinc/73/75/53/559737553.db2.gz IKUPZXYTMDNGOY-MRXNPFEDSA-N -1 0 356.426 2.365 50 0 FEAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000426634077 559739221 /nfs/dbraw/zinc/73/92/21/559739221.db2.gz AVEFBFYXNUATDT-CQSZACIVSA-N -1 0 353.382 2.402 50 0 FEAARM COc1cccc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)c1OC ZINC000426739002 559741079 /nfs/dbraw/zinc/74/10/79/559741079.db2.gz GIDYCISMANMEOC-CYBMUJFWSA-N -1 0 373.409 2.005 50 0 FEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)c2ccccc21 ZINC000653329621 567989993 /nfs/dbraw/zinc/98/99/93/567989993.db2.gz YFEZKSJYHRQQFJ-DLBZAZTESA-N -1 0 366.421 2.122 50 0 FEAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100543092 570505191 /nfs/dbraw/zinc/50/51/91/570505191.db2.gz SKTARQNNTGGHCL-UHFFFAOYSA-N -1 0 352.346 2.283 50 0 FEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000102819404 570839968 /nfs/dbraw/zinc/83/99/68/570839968.db2.gz RQUWZMSNRXOFHW-GJZGRUSLSA-N -1 0 358.304 2.471 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)N(Cc1ccncc1)C1CCCCC1 ZINC000426392825 571219096 /nfs/dbraw/zinc/21/90/96/571219096.db2.gz OLZUFYXTHVOLNK-KRWDZBQOSA-N -1 0 371.441 2.345 50 0 FEAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000426399090 571220107 /nfs/dbraw/zinc/22/01/07/571220107.db2.gz VHAJNMYISNWHLJ-INIZCTEOSA-N -1 0 369.421 2.337 50 0 FEAARM Cc1sc2ncn(Cc3n[nH]c(=O)[n-]3)c(=O)c2c1-c1ccc(F)cc1 ZINC000584894565 571315209 /nfs/dbraw/zinc/31/52/09/571315209.db2.gz PRMGHOBAMABFKW-UHFFFAOYSA-N -1 0 357.370 2.445 50 0 FEAARM COc1cc(C(=O)[O-])ccc1-c1cccc(C(=O)N[C@@H]2CCN(C)C2=O)c1 ZINC000584901015 571316157 /nfs/dbraw/zinc/31/61/57/571316157.db2.gz KFTCPNSEBDSOFB-MRXNPFEDSA-N -1 0 368.389 2.021 50 0 FEAARM CSC[C@H](NC(=O)N1CCC(Oc2cccc(C)c2)CC1)C(=O)[O-] ZINC000670466111 571358693 /nfs/dbraw/zinc/35/86/93/571358693.db2.gz YCEVRNUTRXYZRF-HNNXBMFYSA-N -1 0 352.456 2.364 50 0 FEAARM CC(C)(C)n1cnc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000577282293 671585005 /nfs/dbraw/zinc/58/50/05/671585005.db2.gz DNRQQGLSECKHEQ-LLVKDONJSA-N -1 0 354.769 2.381 50 0 FEAARM COc1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)ccc1F ZINC000124050013 671989898 /nfs/dbraw/zinc/98/98/98/671989898.db2.gz SCOOMDKUTWKUDY-UHFFFAOYSA-N -1 0 364.398 2.262 50 0 FEAARM CCc1c([O-])nc(SCC(=O)N(CC)CC)n(-c2ccccc2)c1=O ZINC000000756424 539333356 /nfs/dbraw/zinc/33/33/56/539333356.db2.gz FVPBQYHYLTUSPV-UHFFFAOYSA-N -1 0 361.467 2.461 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000001060192 539338356 /nfs/dbraw/zinc/33/83/56/539338356.db2.gz OEZWVOFDMIEXHV-UHFFFAOYSA-N -1 0 352.346 2.318 50 0 FEAARM C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccccc1 ZINC000009378603 539502352 /nfs/dbraw/zinc/50/23/52/539502352.db2.gz AOMDHGIHYSHKDU-LBPRGKRZSA-N -1 0 362.407 2.242 50 0 FEAARM CCOCCCNC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348786 539586897 /nfs/dbraw/zinc/58/68/97/539586897.db2.gz VDOKPAUMWIFRIE-UHFFFAOYSA-N -1 0 372.472 2.216 50 0 FEAARM C[C@@H]1CCCN(C(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000015826912 539624321 /nfs/dbraw/zinc/62/43/21/539624321.db2.gz IICODZHADQTXIY-LLVKDONJSA-N -1 0 353.469 2.149 50 0 FEAARM Cc1nc2ccccc2n1CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000024382306 539730789 /nfs/dbraw/zinc/73/07/89/539730789.db2.gz HRAQRCVLHPCDDU-UHFFFAOYSA-N -1 0 372.450 2.146 50 0 FEAARM COc1ccccc1N1C(=O)C[C@H](Nc2cc(C(=O)[O-])ccc2C)C1=O ZINC000025480270 539760976 /nfs/dbraw/zinc/76/09/76/539760976.db2.gz KTFHFFGAXPBKIY-AWEZNQCLSA-N -1 0 354.362 2.446 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1C(N)=O ZINC000028245566 539828012 /nfs/dbraw/zinc/82/80/12/539828012.db2.gz PDFZOCRZOSGCPP-UHFFFAOYSA-N -1 0 364.814 2.126 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(C)c(C(C)=O)s2)c1 ZINC000028248054 539828181 /nfs/dbraw/zinc/82/81/81/539828181.db2.gz XEPOSUDZFNLYST-UHFFFAOYSA-N -1 0 356.425 2.472 50 0 FEAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000029434689 539852763 /nfs/dbraw/zinc/85/27/63/539852763.db2.gz IDSDGSRQJHEGEC-UHFFFAOYSA-N -1 0 361.423 2.254 50 0 FEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(Cl)ccc1N ZINC000032666625 539946990 /nfs/dbraw/zinc/94/69/90/539946990.db2.gz QDEQXZFJEBROTD-UHFFFAOYSA-N -1 0 362.769 2.044 50 0 FEAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000033929421 539976090 /nfs/dbraw/zinc/97/60/90/539976090.db2.gz QVZGIXXEDINKGE-HKJJFUAXSA-N -1 0 368.389 2.055 50 0 FEAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)c1 ZINC000034765585 539977525 /nfs/dbraw/zinc/97/75/25/539977525.db2.gz KMNWTYANFGEUJA-UHFFFAOYSA-N -1 0 356.426 2.490 50 0 FEAARM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccnc3)cc2C1 ZINC000038678156 539999735 /nfs/dbraw/zinc/99/97/35/539999735.db2.gz IAEMMYTWJAPRFU-UHFFFAOYSA-N -1 0 359.451 2.423 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000038773839 540000644 /nfs/dbraw/zinc/00/06/44/540000644.db2.gz SJWBXQCPIKRCBM-FUHWJXTLSA-N -1 0 350.374 2.284 50 0 FEAARM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069343117 541679296 /nfs/dbraw/zinc/67/92/96/541679296.db2.gz XLCNNVPOLQZRTC-VHSXEESVSA-N -1 0 367.876 2.181 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000071284827 541765961 /nfs/dbraw/zinc/76/59/61/541765961.db2.gz FQFWPJOUWDHTPA-UHFFFAOYSA-N -1 0 369.362 2.136 50 0 FEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccnc2C(C)C)c1 ZINC000072129102 541785213 /nfs/dbraw/zinc/78/52/13/541785213.db2.gz GXNUREBJDDFINO-UHFFFAOYSA-N -1 0 351.428 2.381 50 0 FEAARM CCCc1cc(N2CCC3(C[C@H](C(=O)[O-])N(C(C)=O)C3)CC2)nc(C)n1 ZINC000072141591 541787289 /nfs/dbraw/zinc/78/72/89/541787289.db2.gz YVJDBUAVHCUGCX-MRXNPFEDSA-N -1 0 360.458 2.030 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000072434897 541813838 /nfs/dbraw/zinc/81/38/38/541813838.db2.gz DNNQLYPTGIBWFH-UHFFFAOYSA-N -1 0 366.421 2.357 50 0 FEAARM Cc1cc(C)cc(CSCC(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])c1 ZINC000072448161 541816038 /nfs/dbraw/zinc/81/60/38/541816038.db2.gz SSEDNUVBCURNES-KRWDZBQOSA-N -1 0 359.451 2.470 50 0 FEAARM CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)[n+]([O-])c1 ZINC000001482931 203805144 /nfs/dbraw/zinc/80/51/44/203805144.db2.gz YTKQAGFCVMHNHM-QGZVFWFLSA-N -1 0 372.446 2.398 50 0 FEAARM CCn1ccnc1CN1CCC(C(=O)[O-])(n2ccc(C(C)(C)C)n2)CC1 ZINC000072477428 541820131 /nfs/dbraw/zinc/82/01/31/541820131.db2.gz ZIYONYRRNIWSLY-UHFFFAOYSA-N -1 0 359.474 2.473 50 0 FEAARM CS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000013428409 203857344 /nfs/dbraw/zinc/85/73/44/203857344.db2.gz NUSBQDDRAMRLID-BPUTZDHNSA-N -1 0 365.451 2.089 50 0 FEAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1OC ZINC000000706964 203943856 /nfs/dbraw/zinc/94/38/56/203943856.db2.gz ZWJPEMLXLNYGKJ-BQYQJAHWSA-N -1 0 369.439 2.366 50 0 biogenic FEAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002091766 204026014 /nfs/dbraw/zinc/02/60/14/204026014.db2.gz NYJXDEFJAKVHJE-ABAIWWIYSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000002657857 204050705 /nfs/dbraw/zinc/05/07/05/204050705.db2.gz VKWGFUJHFMMSHD-VIFPVBQESA-N -1 0 358.268 2.478 50 0 FEAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000004802202 204164328 /nfs/dbraw/zinc/16/43/28/204164328.db2.gz NJYNLJVCQLSYDT-AWEZNQCLSA-N -1 0 357.790 2.453 50 0 FEAARM O=Cc1cc(I)cc(I)c1[O-] ZINC000004529294 204144589 /nfs/dbraw/zinc/14/45/89/204144589.db2.gz MYWSBJKVOUZCIA-UHFFFAOYSA-N -1 0 373.915 2.414 50 0 FEAARM O=C(C[C@@H](C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1 ZINC000005133647 204193184 /nfs/dbraw/zinc/19/31/84/204193184.db2.gz QPSVFNQMURAADJ-AWEZNQCLSA-N -1 0 362.444 2.385 50 0 FEAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1F ZINC000005314605 204201789 /nfs/dbraw/zinc/20/17/89/204201789.db2.gz XPZANBFYRZTWFG-UHFFFAOYSA-N -1 0 370.427 2.166 50 0 FEAARM Cc1csc2nc(C)c(S(=O)(=O)[N-][C@@H](C)c3ccccc3)c(=O)n12 ZINC000006823663 204275176 /nfs/dbraw/zinc/27/51/76/204275176.db2.gz WUWVNNSSAMBIKZ-NSHDSACASA-N -1 0 363.464 2.412 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000070666569 205025292 /nfs/dbraw/zinc/02/52/92/205025292.db2.gz OVDHXVHMRPCTIB-UHFFFAOYSA-N -1 0 371.345 2.139 50 0 FEAARM COc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000299383898 205094054 /nfs/dbraw/zinc/09/40/54/205094054.db2.gz XLTUPGWPZURJRC-BNOWGMLFSA-N -1 0 361.394 2.324 50 0 FEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000044830187 205111540 /nfs/dbraw/zinc/11/15/40/205111540.db2.gz PSQSXJDHADLZMQ-UHFFFAOYSA-N -1 0 354.428 2.056 50 0 FEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000299747594 205125937 /nfs/dbraw/zinc/12/59/37/205125937.db2.gz DHISFOVDTHGLPF-FXBDTBDDSA-N -1 0 370.199 2.118 50 0 FEAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000299745026 205128102 /nfs/dbraw/zinc/12/81/02/205128102.db2.gz QUPOGDHHVLXZRC-UHFFFAOYSA-N -1 0 371.368 2.082 50 0 FEAARM CC(=O)NCc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000299752785 205134361 /nfs/dbraw/zinc/13/43/61/205134361.db2.gz VJYHELJQBMSTDA-YUTCNCBUSA-N -1 0 350.440 2.242 50 0 FEAARM Cc1nnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000048289048 205156148 /nfs/dbraw/zinc/15/61/48/205156148.db2.gz BKQYXJIESXTHRA-UHFFFAOYSA-N -1 0 372.497 2.335 50 0 FEAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000048356294 205160758 /nfs/dbraw/zinc/16/07/58/205160758.db2.gz BQCLDOVHNCFPQR-UHFFFAOYSA-N -1 0 358.778 2.387 50 0 FEAARM O=C([O-])c1ccc2c(c1)n(CCN1CCOCC1)c(=O)n2C1CCCCC1 ZINC000055036444 205205115 /nfs/dbraw/zinc/20/51/15/205205115.db2.gz ACBYMNPKNRHSAU-UHFFFAOYSA-N -1 0 373.453 2.339 50 0 FEAARM COCCc1noc(CN(C)[C@@H](C(=O)[O-])c2cc(C)c(OC)c(C)c2)n1 ZINC000055385410 205217751 /nfs/dbraw/zinc/21/77/51/205217751.db2.gz BHSQMGDIIUZWTA-MRXNPFEDSA-N -1 0 363.414 2.142 50 0 FEAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)cn21 ZINC000065247262 205328235 /nfs/dbraw/zinc/32/82/35/205328235.db2.gz QPRXEPLVDVQGGF-UHFFFAOYSA-N -1 0 360.439 2.188 50 0 FEAARM CCN(CC)c1ncc(Cl)c(C(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000065546541 205358680 /nfs/dbraw/zinc/35/86/80/205358680.db2.gz JPOIMOBZHGIWFQ-UHFFFAOYSA-N -1 0 354.838 2.494 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1C(=O)[O-] ZINC000091876890 205701842 /nfs/dbraw/zinc/70/18/42/205701842.db2.gz MIMOUJKFKAPZKY-ZWKOTPCHSA-N -1 0 372.465 2.461 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cc(F)ccc1Cl)CC2 ZINC000095379903 205743311 /nfs/dbraw/zinc/74/33/11/205743311.db2.gz QIDKHAQISUONLO-GFCCVEGCSA-N -1 0 368.792 2.017 50 0 FEAARM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c1 ZINC000095383191 205746875 /nfs/dbraw/zinc/74/68/75/205746875.db2.gz LZBUZTLOURVJOM-LJQANCHMSA-N -1 0 371.437 2.042 50 0 FEAARM O=C([O-])C[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1cccs1 ZINC000095989365 205802082 /nfs/dbraw/zinc/80/20/82/205802082.db2.gz OGUJPZNDLXOCQL-AWEZNQCLSA-N -1 0 369.402 2.449 50 0 FEAARM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237526097 206105980 /nfs/dbraw/zinc/10/59/80/206105980.db2.gz QJTPLISKDJKNNO-NOZJJQNGSA-N -1 0 374.206 2.079 50 0 FEAARM CC(=O)N[C@H](CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000237601967 206106449 /nfs/dbraw/zinc/10/64/49/206106449.db2.gz CFUABQILFJUFBX-MEBBXXQBSA-N -1 0 368.380 2.244 50 0 FEAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237739004 206107058 /nfs/dbraw/zinc/10/70/58/206107058.db2.gz DIANMGQYCKJPOI-VWYCJHECSA-N -1 0 361.427 2.095 50 0 FEAARM O=C([O-])CCN(C(=O)c1ccc(Cn2cccn2)cc1)C1CCOCC1 ZINC000238078210 206113334 /nfs/dbraw/zinc/11/33/34/206113334.db2.gz WPUCRAXTIQJOIP-UHFFFAOYSA-N -1 0 357.410 2.027 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCO1 ZINC000238124680 206113638 /nfs/dbraw/zinc/11/36/38/206113638.db2.gz JFUWSBKUPNFJQQ-SECBINFHSA-N -1 0 372.855 2.380 50 0 FEAARM O=C([O-])[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000238027090 206113895 /nfs/dbraw/zinc/11/38/95/206113895.db2.gz FWOLBLRWOHVOKD-ZDUSSCGKSA-N -1 0 360.801 2.286 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2csc(Br)c2)CCO1 ZINC000238194257 206115263 /nfs/dbraw/zinc/11/52/63/206115263.db2.gz ZYDAXWXLBMEFFZ-TXXBHVLJSA-N -1 0 360.229 2.226 50 0 FEAARM COc1ccc(-c2cncc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c2)cc1 ZINC000125990514 206117266 /nfs/dbraw/zinc/11/72/66/206117266.db2.gz TZVDMPMFMXMZBB-UHFFFAOYSA-N -1 0 374.340 2.379 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccnc2)c(C)c1C ZINC000127922350 206120094 /nfs/dbraw/zinc/12/00/94/206120094.db2.gz MDVKROLBYAZZHY-CABCVRRESA-N -1 0 360.435 2.316 50 0 FEAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@H](OCC(F)(F)F)c1ccccc1 ZINC000147378295 206141767 /nfs/dbraw/zinc/14/17/67/206141767.db2.gz XLGOAKSPHAGJLY-CYBMUJFWSA-N -1 0 374.340 2.207 50 0 FEAARM Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000132322406 206127806 /nfs/dbraw/zinc/12/78/06/206127806.db2.gz PUUFQBAAQPMEOU-JTQLQIEISA-N -1 0 366.826 2.486 50 0 FEAARM CC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002120920 206152808 /nfs/dbraw/zinc/15/28/08/206152808.db2.gz YUBKQLAPSNVVHF-GFCCVEGCSA-N -1 0 367.785 2.285 50 0 biogenic FEAARM CC(C)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000004085252 206168281 /nfs/dbraw/zinc/16/82/81/206168281.db2.gz KFPISKGRZHKJSV-XJKCOSOUSA-N -1 0 362.451 2.260 50 0 biogenic FEAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007050996 206207834 /nfs/dbraw/zinc/20/78/34/206207834.db2.gz YEVFKRCUFBXIEG-UHFFFAOYSA-N -1 0 365.354 2.308 50 0 FEAARM CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000006358478 206201387 /nfs/dbraw/zinc/20/13/87/206201387.db2.gz JWMYGLVKXABREZ-DYZYQPBXSA-N -1 0 361.394 2.404 50 0 FEAARM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000156474542 206222498 /nfs/dbraw/zinc/22/24/98/206222498.db2.gz ZBEIWEPGXUXZLU-PRHODGIISA-N -1 0 359.209 2.187 50 0 FEAARM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000156474423 206222655 /nfs/dbraw/zinc/22/26/55/206222655.db2.gz ZBEIWEPGXUXZLU-PELKAZGASA-N -1 0 359.209 2.187 50 0 FEAARM Cc1nc2[nH]cnn2c(=O)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101508513 206227543 /nfs/dbraw/zinc/22/75/43/206227543.db2.gz KENXJOXZSCWWNK-UHFFFAOYSA-N -1 0 365.315 2.316 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(C(C)=O)c(C)s2)c1 ZINC000011615562 206284228 /nfs/dbraw/zinc/28/42/28/206284228.db2.gz ZONNVZKSXWSXHC-UHFFFAOYSA-N -1 0 356.425 2.472 50 0 FEAARM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013068627 206300624 /nfs/dbraw/zinc/30/06/24/206300624.db2.gz MXWCGLKZVVGRKK-UHFFFAOYSA-N -1 0 353.371 2.353 50 0 FEAARM CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)[O-])cs2)c1 ZINC000013415075 206303547 /nfs/dbraw/zinc/30/35/47/206303547.db2.gz VZPPFRMSEOOLIG-UHFFFAOYSA-N -1 0 365.436 2.459 50 0 FEAARM Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000013848915 206306144 /nfs/dbraw/zinc/30/61/44/206306144.db2.gz CXGHWKNIVOYKLQ-UHFFFAOYSA-N -1 0 374.462 2.197 50 0 FEAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000219159398 206378883 /nfs/dbraw/zinc/37/88/83/206378883.db2.gz SPDNWNMREHOVQH-QZTJIDSGSA-N -1 0 372.421 2.035 50 0 FEAARM CCc1nc2sc([C@@H](c3ccccc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577789 206379295 /nfs/dbraw/zinc/37/92/95/206379295.db2.gz FUOJRCLNSMCZRH-OAHLLOKOSA-N -1 0 357.483 2.396 50 0 FEAARM COc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000055651030 206382845 /nfs/dbraw/zinc/38/28/45/206382845.db2.gz VVAYUJHKOUVBPQ-UHFFFAOYSA-N -1 0 351.380 2.233 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2ccc3ccccc3n2)CCC(=O)N1 ZINC000220467758 206401033 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2.377 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(C2CC2)n1 ZINC000095424427 542968948 /nfs/dbraw/zinc/96/89/48/542968948.db2.gz FXLYFFJXUPJACO-MRXNPFEDSA-N -1 0 350.378 2.261 50 0 FEAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000095424639 542969126 /nfs/dbraw/zinc/96/91/26/542969126.db2.gz KKRGTWRCILHAOR-HXPMCKFVSA-N -1 0 359.426 2.179 50 0 FEAARM COC(=O)c1[n-]c(=NC(=O)CCc2nc(-c3ccccc3)no2)sc1C ZINC000095472833 542972553 /nfs/dbraw/zinc/97/25/53/542972553.db2.gz CDWUYQSXXGSXBE-UHFFFAOYSA-N -1 0 372.406 2.859 50 0 FEAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@H]1O ZINC000095993560 542985371 /nfs/dbraw/zinc/98/53/71/542985371.db2.gz BUJOZRWSCWJQEM-UKRRQHHQSA-N -1 0 372.462 2.066 50 0 FEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000096147918 542993353 /nfs/dbraw/zinc/99/33/53/542993353.db2.gz AXXXQFBCBIPJBB-INIZCTEOSA-N -1 0 374.828 2.315 50 0 FEAARM COc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccc(C)cc4)=NOC3=C2[O-])cc1 ZINC000100354733 543025046 /nfs/dbraw/zinc/02/50/46/543025046.db2.gz UPKLGNZIGILXLA-CRAIPNDOSA-N -1 0 364.357 2.131 50 0 FEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101277455 543026664 /nfs/dbraw/zinc/02/66/64/543026664.db2.gz GVWWWFAPIJDUQY-HOTGVXAUSA-N -1 0 374.360 2.230 50 0 FEAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000101260815 543026758 /nfs/dbraw/zinc/02/67/58/543026758.db2.gz HKLDUTJAZFUCGE-HZPDHXFCSA-N -1 0 352.350 2.202 50 0 FEAARM O=C([O-])c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)s1 ZINC000238035937 328538798 /nfs/dbraw/zinc/53/87/98/328538798.db2.gz KUTOWXAGWHUVGO-CQSZACIVSA-N -1 0 372.446 2.410 50 0 FEAARM COc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000262511035 328870289 /nfs/dbraw/zinc/87/02/89/328870289.db2.gz BJEYSFHGVRVLGI-CQSZACIVSA-N -1 0 359.382 2.144 50 0 FEAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccccc1I)C1CC1 ZINC000262611156 328876268 /nfs/dbraw/zinc/87/62/68/328876268.db2.gz LECMGNVFGRWAIC-QMMMGPOBSA-N -1 0 359.163 2.369 50 0 FEAARM CN1C(=O)CCc2cc(C(=O)NC[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc21 ZINC000263018247 328908820 /nfs/dbraw/zinc/90/88/20/328908820.db2.gz XWWQHXVVAPNVLO-MRXNPFEDSA-N -1 0 370.380 2.333 50 0 FEAARM CC(=O)N[C@@H](CC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000236691939 519683726 /nfs/dbraw/zinc/68/37/26/519683726.db2.gz VDOGRZCVRZVELJ-TZDAIYRESA-N -1 0 368.380 2.292 50 0 FEAARM CCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000020946150 520230863 /nfs/dbraw/zinc/23/08/63/520230863.db2.gz VPBQVKMFWFZBLQ-HNNXBMFYSA-N -1 0 371.397 2.394 50 0 FEAARM COC(=O)c1ccc(COc2cccc([C@H]3N[C@@H](C(=O)[O-])CS3)c2)o1 ZINC000020606336 522046855 /nfs/dbraw/zinc/04/68/55/522046855.db2.gz YAYQIAFSAZSGGN-HIFRSBDPSA-N -1 0 363.391 2.433 50 0 FEAARM CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091665531 523614812 /nfs/dbraw/zinc/61/48/12/523614812.db2.gz CNXQFZHGWFOQOD-LSDHHAIUSA-N -1 0 356.426 2.362 50 0 FEAARM COc1ccc(Cl)cc1C1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000299749920 524199978 /nfs/dbraw/zinc/19/99/78/524199978.db2.gz MBHAICDXSUFNFL-STQMWFEESA-N -1 0 367.829 2.234 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1ccc(Br)s1 ZINC000088374225 526287641 /nfs/dbraw/zinc/28/76/41/526287641.db2.gz PKJWYIBDGKWBOJ-JTQLQIEISA-N -1 0 362.245 2.145 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1COc2ccccc21 ZINC000299744201 527648283 /nfs/dbraw/zinc/64/82/83/527648283.db2.gz NWIGJIBWUXHAEF-DOTOQJQBSA-N -1 0 350.374 2.456 50 0 FEAARM O=C([N-]S(=O)(=O)CCCF)c1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000157971938 545806311 /nfs/dbraw/zinc/80/63/11/545806311.db2.gz RAFLRQLTPSTAJA-UHFFFAOYSA-N -1 0 370.427 2.164 50 0 FEAARM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1sc2sccc2c1Cl ZINC000170596781 546162096 /nfs/dbraw/zinc/16/20/96/546162096.db2.gz BXNHQTMEMRNWDY-SSDOTTSWSA-N -1 0 358.828 2.032 50 0 FEAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000171382976 546206103 /nfs/dbraw/zinc/20/61/03/546206103.db2.gz VYOVLVIZTZMBOU-ZETCQYMHSA-N -1 0 357.737 2.454 50 0 FEAARM CC(C)n1cnc(S(=O)(=O)N(C)c2cccc(CCC(=O)[O-])c2)c1 ZINC000181743342 547371814 /nfs/dbraw/zinc/37/18/14/547371814.db2.gz XNWJTEVHOYCDQA-UHFFFAOYSA-N -1 0 351.428 2.306 50 0 FEAARM Cc1nc(C)c(CCNS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1 ZINC000185017050 547917888 /nfs/dbraw/zinc/91/78/88/547917888.db2.gz KUJKJCZNIHTATK-UHFFFAOYSA-N -1 0 372.443 2.427 50 0 FEAARM Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)C2)n1 ZINC000220398749 548699861 /nfs/dbraw/zinc/69/98/61/548699861.db2.gz JDJDUEONDAVXFD-MRXNPFEDSA-N -1 0 351.410 2.066 50 0 FEAARM Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)C2)n1 ZINC000220398818 548699939 /nfs/dbraw/zinc/69/99/39/548699939.db2.gz JDJDUEONDAVXFD-INIZCTEOSA-N -1 0 351.410 2.066 50 0 FEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1cc(Cl)ccc1Cl ZINC000223683258 548723244 /nfs/dbraw/zinc/72/32/44/548723244.db2.gz WOCVEKWWJJIUDC-LBPRGKRZSA-N -1 0 361.225 2.339 50 0 FEAARM Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000225617450 548738804 /nfs/dbraw/zinc/73/88/04/548738804.db2.gz KZMAADUQRMHZFE-RISCZKNCSA-N -1 0 369.464 2.056 50 0 FEAARM CCOC(=O)c1ncsc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000225693682 548741973 /nfs/dbraw/zinc/74/19/73/548741973.db2.gz XHSUWEGXUWJJNK-UHFFFAOYSA-N -1 0 356.425 2.438 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cncc(F)c2)c(C)c1C ZINC000255225118 549704291 /nfs/dbraw/zinc/70/42/91/549704291.db2.gz XKAQZOPUMAQUPM-DAXSKMNVSA-N -1 0 364.398 2.364 50 0 FEAARM CCc1oc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1C(=O)[O-] ZINC000261692125 549743426 /nfs/dbraw/zinc/74/34/26/549743426.db2.gz RYWFRRWAXZSDIB-UHFFFAOYSA-N -1 0 363.366 2.496 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000262427690 549818883 /nfs/dbraw/zinc/81/88/83/549818883.db2.gz RHEBPIZCLORIGQ-ZDUSSCGKSA-N -1 0 366.826 2.318 50 0 FEAARM COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2C)cc1 ZINC000262977375 549867738 /nfs/dbraw/zinc/86/77/38/549867738.db2.gz MNJLSHZBKFQXSZ-QGZVFWFLSA-N -1 0 358.394 2.028 50 0 FEAARM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)[C@H]1CCCOC1 ZINC000263061772 549874673 /nfs/dbraw/zinc/87/46/73/549874673.db2.gz BGMGWCFRZRFCME-LBPRGKRZSA-N -1 0 356.216 2.289 50 0 FEAARM CC[C@](CNC(=O)c1ccc2c(c1)nnn2C)(C(=O)[O-])c1ccccc1 ZINC000263098901 549877338 /nfs/dbraw/zinc/87/73/38/549877338.db2.gz WGHIXIYELUKSQP-LJQANCHMSA-N -1 0 352.394 2.131 50 0 FEAARM Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])nc2)c(O[C@@H]2CCOC2)c1 ZINC000268454201 550068754 /nfs/dbraw/zinc/06/87/54/550068754.db2.gz RXBDHHFBFPGTQC-OAHLLOKOSA-N -1 0 356.378 2.186 50 0 FEAARM CN1C(=O)C[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c2ccccc21 ZINC000299748634 553610557 /nfs/dbraw/zinc/61/05/57/553610557.db2.gz HTEVZAJYZWJMPD-FUHWJXTLSA-N -1 0 364.401 2.175 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)CN2C(=O)CSc3ccccc32)c1 ZINC000299746037 553610625 /nfs/dbraw/zinc/61/06/25/553610625.db2.gz UWAADSMWYQXHJL-UHFFFAOYSA-N -1 0 356.403 2.140 50 0 FEAARM C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1nncn1C1CCCC1 ZINC000299801192 553616354 /nfs/dbraw/zinc/61/63/54/553616354.db2.gz VUOMONNPVBPZTQ-CYBMUJFWSA-N -1 0 366.425 2.363 50 0 FEAARM O=C(NCCc1n[nH]c(=O)[n-]1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000426484369 559735324 /nfs/dbraw/zinc/73/53/24/559735324.db2.gz BJIGOAYEHNMWRM-CYBMUJFWSA-N -1 0 373.392 2.005 50 0 FEAARM Cc1nc2cc(C(=O)N3CCC[C@H](c4ccnn4CC(=O)[O-])C3)ccc2[nH]1 ZINC000426640530 559739450 /nfs/dbraw/zinc/73/94/50/559739450.db2.gz QYLCKCGYKPDKGQ-AWEZNQCLSA-N -1 0 367.409 2.172 50 0 FEAARM COc1cc(F)c(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1OC ZINC000530157157 562400638 /nfs/dbraw/zinc/40/06/38/562400638.db2.gz OHJIJAVSSKLODW-UHFFFAOYSA-N -1 0 353.375 2.311 50 0 FEAARM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000532000950 562463663 /nfs/dbraw/zinc/46/36/63/562463663.db2.gz RTHMIXHIKLQHJF-INIZCTEOSA-N -1 0 361.442 2.079 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)NCCc3ccc(O)cc3)cc2[n-]c1=S ZINC000103610512 570851834 /nfs/dbraw/zinc/85/18/34/570851834.db2.gz UOYOCIRNHVBGII-UHFFFAOYSA-N -1 0 369.446 2.383 50 0 FEAARM CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(CN2CCOCC2)cc3=O)cc1 ZINC000101747775 570860479 /nfs/dbraw/zinc/86/04/79/570860479.db2.gz UGVWCWONFUPGPI-UHFFFAOYSA-N -1 0 367.453 2.214 50 0 FEAARM O=C(Cc1cccc(F)c1)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000048204292 570936621 /nfs/dbraw/zinc/93/66/21/570936621.db2.gz VVEVELZISBCRFO-UHFFFAOYSA-N -1 0 353.353 2.318 50 0 FEAARM COc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119328486 571098920 /nfs/dbraw/zinc/09/89/20/571098920.db2.gz BYERONGKLSSWQB-UONOGXRCSA-N -1 0 366.826 2.352 50 0 FEAARM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000677995966 598083056 /nfs/dbraw/zinc/08/30/56/598083056.db2.gz CBWBCVGOAIHIKQ-UHFFFAOYSA-N -1 0 355.391 2.183 50 0 FEAARM COc1ccc(Br)cc1/C=C\C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000213384719 672790145 /nfs/dbraw/zinc/79/01/45/672790145.db2.gz MRTBNVZYWBXSHL-SROOVFNMSA-N -1 0 354.200 2.404 50 0 FEAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000326690764 673054540 /nfs/dbraw/zinc/05/45/40/673054540.db2.gz QWSNJBQARLEZNO-LZNQSLFOSA-N -1 0 359.813 2.433 50 0 FEAARM Cn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3O)cc2n(C)c1=O ZINC000000814671 539334067 /nfs/dbraw/zinc/33/40/67/539334067.db2.gz WSYGBZKFYNPOSI-UHFFFAOYSA-N -1 0 367.814 2.037 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 ZINC000000811636 539334321 /nfs/dbraw/zinc/33/43/21/539334321.db2.gz LEMVXFLDSISVNM-INIZCTEOSA-N -1 0 362.382 2.281 50 0 biogenic FEAARM Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001001254 539337129 /nfs/dbraw/zinc/33/71/29/539337129.db2.gz IWIWANMQKMYTEU-LSDHHAIUSA-N -1 0 355.394 2.090 50 0 FEAARM CCOC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000001079746 539338127 /nfs/dbraw/zinc/33/81/27/539338127.db2.gz MHDUPYHBAPIONE-UHFFFAOYSA-N -1 0 362.407 2.487 50 0 FEAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000002970812 539357841 /nfs/dbraw/zinc/35/78/41/539357841.db2.gz UFHACUJVZPQDDB-YPMHNXCESA-N -1 0 361.467 2.393 50 0 FEAARM C[S@](=O)CC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005360352 539409401 /nfs/dbraw/zinc/40/94/01/539409401.db2.gz MDEZTJYZPLBVRB-CHNSCGDPSA-N -1 0 353.227 2.337 50 0 FEAARM Cc1cc(C)cc(OCCCN2[N-]S(=O)(=O)c3ccccc3C2=O)c1 ZINC000012686373 539569780 /nfs/dbraw/zinc/56/97/80/539569780.db2.gz QQLLLMUWFPKTKE-UHFFFAOYSA-N -1 0 360.435 2.422 50 0 FEAARM C[C@@H](C(=O)[O-])n1c(S[C@H]2CCCCNC2=O)nnc1-c1cccs1 ZINC000012936227 539579906 /nfs/dbraw/zinc/57/99/06/539579906.db2.gz ZBXLYMHNVBXORS-ONGXEEELSA-N -1 0 366.468 2.413 50 0 FEAARM CC(C)(C)NC(=O)CSC1=NC(=O)C(Cc2ccccc2F)C([O-])=N1 ZINC000013453997 539587951 /nfs/dbraw/zinc/58/79/51/539587951.db2.gz XMSUJCMNDLGDLS-UHFFFAOYSA-N -1 0 365.430 2.212 50 0 FEAARM O=C([O-])C[C@H]1Sc2nnc([C@H]3CCCO3)n2N=C1c1ccc(F)cc1 ZINC000013182970 539584423 /nfs/dbraw/zinc/58/44/23/539584423.db2.gz QIEPSVCBRWDWPA-VXGBXAGGSA-N -1 0 362.386 2.470 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000013260608 539584861 /nfs/dbraw/zinc/58/48/61/539584861.db2.gz IRGCACYPPCTUQZ-RYUDHWBXSA-N -1 0 350.802 2.016 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000013260610 539585210 /nfs/dbraw/zinc/58/52/10/539585210.db2.gz IRGCACYPPCTUQZ-NWDGAFQWSA-N -1 0 350.802 2.016 50 0 FEAARM COc1ccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C(=O)[O-] ZINC000013393226 539586543 /nfs/dbraw/zinc/58/65/43/539586543.db2.gz JXRLODGUPOIULG-UHFFFAOYSA-N -1 0 368.389 2.232 50 0 FEAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccccn1 ZINC000016755648 539636835 /nfs/dbraw/zinc/63/68/35/539636835.db2.gz SEDTWJABTCASQY-UHFFFAOYSA-N -1 0 369.406 2.306 50 0 FEAARM Cc1nnc(SCc2cc(=O)c3c([n-]n(-c4ccccc4)c3=O)[nH]2)s1 ZINC000018222208 539648081 /nfs/dbraw/zinc/64/80/81/539648081.db2.gz LWXNKZIESBLZQS-UHFFFAOYSA-N -1 0 371.447 2.459 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)n[nH]1 ZINC000021096444 539680351 /nfs/dbraw/zinc/68/03/51/539680351.db2.gz JHMDDIAPPFOJKN-UHFFFAOYSA-N -1 0 374.216 2.150 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000026539697 539789022 /nfs/dbraw/zinc/78/90/22/539789022.db2.gz AJZXIYVOMYGWLI-UHFFFAOYSA-N -1 0 358.379 2.075 50 0 FEAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000026421276 539786519 /nfs/dbraw/zinc/78/65/19/539786519.db2.gz SGLGEAIFKVQQQW-CYBMUJFWSA-N -1 0 371.418 2.465 50 0 FEAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1ccccc1 ZINC000027756603 539816620 /nfs/dbraw/zinc/81/66/20/539816620.db2.gz IUEQTBHPAASYTH-UHFFFAOYSA-N -1 0 370.438 2.419 50 0 FEAARM O=C(c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c[nH]1)N1CCCC1 ZINC000029437931 539853414 /nfs/dbraw/zinc/85/34/14/539853414.db2.gz FNIVJBBJUQZURS-UHFFFAOYSA-N -1 0 355.366 2.330 50 0 FEAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000032097234 539928985 /nfs/dbraw/zinc/92/89/85/539928985.db2.gz BDGJTMNNFDMQOH-KRWDZBQOSA-N -1 0 353.378 2.345 50 0 FEAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCOCC1 ZINC000032962209 539960968 /nfs/dbraw/zinc/96/09/68/539960968.db2.gz JSNMGAFEWSLEBH-UHFFFAOYSA-N -1 0 362.407 2.022 50 0 FEAARM CCOc1ccc(-c2nnc(CCC(=O)NC(C)C)c(=O)[n-]2)cc1OC ZINC000034766303 539977381 /nfs/dbraw/zinc/97/73/81/539977381.db2.gz YFEICNNPHWVPON-UHFFFAOYSA-N -1 0 360.414 2.109 50 0 FEAARM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237035860 222903983 /nfs/dbraw/zinc/90/39/83/222903983.db2.gz FLOCYQQQQUNFNO-INIZCTEOSA-N -1 0 356.353 2.401 50 0 FEAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000072146916 541788276 /nfs/dbraw/zinc/78/82/76/541788276.db2.gz GDHKGJJWEQVQKY-GFCCVEGCSA-N -1 0 363.377 2.195 50 0 FEAARM Cc1ccnn1CCC(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072421217 541809084 /nfs/dbraw/zinc/80/90/84/541809084.db2.gz GIUOSQGCMSVBEF-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM COc1ccccc1-c1ccc(C(=O)[O-])c(N(C)C[C@@H]2COCCO2)n1 ZINC000299762056 203755904 /nfs/dbraw/zinc/75/59/04/203755904.db2.gz VJNIDWJHDLCHGZ-CYBMUJFWSA-N -1 0 358.394 2.307 50 0 FEAARM CN1c2ccccc2[C@](CC(=O)NCCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071753071 203798282 /nfs/dbraw/zinc/79/82/82/203798282.db2.gz YJRODKYYYFLCQV-OAQYLSRUSA-N -1 0 366.417 2.125 50 0 FEAARM Cn1cnnc1SCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000299794539 203775214 /nfs/dbraw/zinc/77/52/14/203775214.db2.gz KGBCJOYHEZLXJZ-AWEZNQCLSA-N -1 0 360.439 2.012 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000072440024 541815337 /nfs/dbraw/zinc/81/53/37/541815337.db2.gz LGKJILUOUCWHMH-QGZVFWFLSA-N -1 0 353.422 2.091 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000072479844 541821801 /nfs/dbraw/zinc/82/18/01/541821801.db2.gz ICUHYOWFIDSFSR-UHFFFAOYSA-N -1 0 364.405 2.495 50 0 FEAARM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1 ZINC000328597121 203832005 /nfs/dbraw/zinc/83/20/05/203832005.db2.gz DRAZCMRWFXYPGD-AWEZNQCLSA-N -1 0 354.472 2.479 50 0 FEAARM CSCC[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000334161111 203868743 /nfs/dbraw/zinc/86/87/43/203868743.db2.gz TZEUBUCXYXTIOV-CQSZACIVSA-N -1 0 365.430 2.389 50 0 FEAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC(=O)[O-] ZINC000000959173 203968076 /nfs/dbraw/zinc/96/80/76/203968076.db2.gz OITDLGFSXSDKJB-LBPRGKRZSA-N -1 0 367.357 2.428 50 0 biogenic FEAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002117884 204025663 /nfs/dbraw/zinc/02/56/63/204025663.db2.gz HNPIQGSCCFRCHL-MEDUHNTESA-N -1 0 373.405 2.419 50 0 biogenic FEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@H]3C(=O)[O-])ccc12 ZINC000002101671 204025706 /nfs/dbraw/zinc/02/57/06/204025706.db2.gz OPILUJXCVXAIRR-AWEZNQCLSA-N -1 0 359.378 2.118 50 0 FEAARM CC(C)C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002102891 204025878 /nfs/dbraw/zinc/02/58/78/204025878.db2.gz WZARJWSOSOSVFD-INIZCTEOSA-N -1 0 373.405 2.276 50 0 biogenic FEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000003025622 204074179 /nfs/dbraw/zinc/07/41/79/204074179.db2.gz FWWSXMNEESIYEQ-MRXNPFEDSA-N -1 0 365.407 2.198 50 0 biogenic FEAARM CCOC(=O)Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1C ZINC000002768333 204056155 /nfs/dbraw/zinc/05/61/55/204056155.db2.gz YDJUKJAPYGVBIC-QWRGUYRKSA-N -1 0 354.428 2.387 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)cn1 ZINC000002804284 204059148 /nfs/dbraw/zinc/05/91/48/204059148.db2.gz KKDKNRDUNXJJNR-UHFFFAOYSA-N -1 0 369.809 2.258 50 0 FEAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000004590295 204149780 /nfs/dbraw/zinc/14/97/80/204149780.db2.gz YRDDIMAXVMGUKA-DOMZBBRYSA-N -1 0 361.394 2.484 50 0 FEAARM O=C([O-])c1cc(Br)cc(S(=O)(=O)NCc2cccnc2)c1 ZINC000004245099 204128554 /nfs/dbraw/zinc/12/85/54/204128554.db2.gz LOLKFHGACHQQDT-UHFFFAOYSA-N -1 0 371.212 2.021 50 0 FEAARM COc1cccc(C[C@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1OC ZINC000004546432 204146235 /nfs/dbraw/zinc/14/62/35/204146235.db2.gz YAONAPXKRMSZDC-LBPRGKRZSA-N -1 0 371.372 2.321 50 0 FEAARM COc1ccc(OC)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004995446 204183710 /nfs/dbraw/zinc/18/37/10/204183710.db2.gz CYZNBCCPHXHWHU-UHFFFAOYSA-N -1 0 365.407 2.292 50 0 FEAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005325102 204203323 /nfs/dbraw/zinc/20/33/23/204203323.db2.gz FVSLCLOKZGTQOW-PBHICJAKSA-N -1 0 374.462 2.358 50 0 FEAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCCC2)cc1 ZINC000005942164 204232441 /nfs/dbraw/zinc/23/24/41/204232441.db2.gz GSDUWZVMMJJAKN-UHFFFAOYSA-N -1 0 363.468 2.070 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000007325435 204295393 /nfs/dbraw/zinc/29/53/93/204295393.db2.gz UNUSIGPVIJFAAH-UHFFFAOYSA-N -1 0 374.418 2.401 50 0 FEAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000006758558 204266567 /nfs/dbraw/zinc/26/65/67/204266567.db2.gz CNUGHMXBRPWZGZ-CYBMUJFWSA-N -1 0 370.327 2.134 50 0 FEAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000006822884 204274496 /nfs/dbraw/zinc/27/44/96/204274496.db2.gz FZYCDFQXDHLOCU-LLVKDONJSA-N -1 0 363.464 2.146 50 0 FEAARM Cc1c(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000007785567 204308158 /nfs/dbraw/zinc/30/81/58/204308158.db2.gz CKZWCTGBJCHEDJ-RYUDHWBXSA-N -1 0 363.439 2.018 50 0 FEAARM Cc1cc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)c2c(C)cc(=O)oc2c1 ZINC000009134273 204355452 /nfs/dbraw/zinc/35/54/52/204355452.db2.gz ZALVIOXCKVLTLF-ZDUSSCGKSA-N -1 0 359.378 2.112 50 0 FEAARM Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cc12 ZINC000010274235 204393646 /nfs/dbraw/zinc/39/36/46/204393646.db2.gz PKCGUTABCSBXLF-UHFFFAOYSA-N -1 0 358.375 2.336 50 0 FEAARM C[C@H](NC(=O)COc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000013421261 204528897 /nfs/dbraw/zinc/52/88/97/204528897.db2.gz YGHRTBGFJSBEDB-LBPRGKRZSA-N -1 0 357.362 2.299 50 0 FEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000299354022 205089860 /nfs/dbraw/zinc/08/98/60/205089860.db2.gz LAWVTCYNKKEAJJ-QEJZJMRPSA-N -1 0 365.451 2.256 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299336338 205090235 /nfs/dbraw/zinc/09/02/35/205090235.db2.gz FJEDOOSPFPUFNO-WQVCFCJDSA-N -1 0 365.451 2.256 50 0 FEAARM CC(=O)Nc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000042783180 205098499 /nfs/dbraw/zinc/09/84/99/205098499.db2.gz ZEGQNCUSESZLIG-GJZGRUSLSA-N -1 0 364.398 2.486 50 0 FEAARM Cc1oc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000299746801 205126028 /nfs/dbraw/zinc/12/60/28/205126028.db2.gz ZXHGJPQDYITHJR-UHFFFAOYSA-N -1 0 356.378 2.272 50 0 FEAARM O=C([O-])COc1cccc(CNC(=O)[C@@H]2CSc3ccccc3O2)c1 ZINC000299747732 205126033 /nfs/dbraw/zinc/12/60/33/205126033.db2.gz DWIRHIMUHADYSP-HNNXBMFYSA-N -1 0 359.403 2.320 50 0 FEAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299747601 205126495 /nfs/dbraw/zinc/12/64/95/205126495.db2.gz DIANMGQYCKJPOI-MXWKQRLJSA-N -1 0 361.427 2.095 50 0 FEAARM O=C([O-])[C@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccc1 ZINC000299746857 205126806 /nfs/dbraw/zinc/12/68/06/205126806.db2.gz BKRFVLUIIXUZTK-OAHLLOKOSA-N -1 0 373.796 2.425 50 0 FEAARM COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC000299752666 205133400 /nfs/dbraw/zinc/13/34/00/205133400.db2.gz UXLGCXRCBKFXTA-AWEZNQCLSA-N -1 0 371.389 2.270 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1c(=O)oc2ccccc21 ZINC000299749475 205129910 /nfs/dbraw/zinc/12/99/10/205129910.db2.gz KLZUEEZUSCXTDX-NFAWXSAZSA-N -1 0 358.394 2.229 50 0 FEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000049002637 205167834 /nfs/dbraw/zinc/16/78/34/205167834.db2.gz GVWWWFAPIJDUQY-CVEARBPZSA-N -1 0 374.360 2.230 50 0 FEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2csc(C)n2)cc1OC ZINC000049547260 205173305 /nfs/dbraw/zinc/17/33/05/205173305.db2.gz VPBNFGCUQDTGGA-CYBMUJFWSA-N -1 0 364.423 2.343 50 0 FEAARM CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c(=O)[n-]1 ZINC000055243289 205212156 /nfs/dbraw/zinc/21/21/56/205212156.db2.gz FAAIJRJDWYKAAM-UHFFFAOYSA-N -1 0 360.424 2.460 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CCSCc1ccc(F)cc1 ZINC000055326169 205214830 /nfs/dbraw/zinc/21/48/30/205214830.db2.gz CJNQYZWNEAHKNY-OAHLLOKOSA-N -1 0 363.414 2.210 50 0 FEAARM CCN(Cc1nc(COC)no1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055393488 205217417 /nfs/dbraw/zinc/21/74/17/205217417.db2.gz KEYHVZGCSCOUHF-INIZCTEOSA-N -1 0 363.414 2.489 50 0 FEAARM CCSc1nc(CC(=O)NCCc2nc(C(=O)[O-])cs2)cs1 ZINC000055385995 205218214 /nfs/dbraw/zinc/21/82/14/205218214.db2.gz NSHOSDZTNARAHU-UHFFFAOYSA-N -1 0 357.482 2.311 50 0 FEAARM O=S(=O)([N-]c1cnn(Cc2ccccn2)c1)c1c(F)cccc1F ZINC000058179508 205255486 /nfs/dbraw/zinc/25/54/86/205255486.db2.gz NUMXBLNMNVTKOE-UHFFFAOYSA-N -1 0 350.350 2.405 50 0 FEAARM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1F)n(C)c(=O)n2C ZINC000064591946 205301297 /nfs/dbraw/zinc/30/12/97/205301297.db2.gz DTHFEMIBGSQZTO-UHFFFAOYSA-N -1 0 367.377 2.264 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)c1 ZINC000065254757 205329336 /nfs/dbraw/zinc/32/93/36/205329336.db2.gz NDAQWIBCECRREF-UHFFFAOYSA-N -1 0 363.439 2.162 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)c(C)n1C ZINC000064923121 205309843 /nfs/dbraw/zinc/30/98/43/205309843.db2.gz QAFOPFYPIKODMO-UHFFFAOYSA-N -1 0 352.412 2.238 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)cc1 ZINC000065119268 205317955 /nfs/dbraw/zinc/31/79/55/205317955.db2.gz ZAASJHQEUSRSDX-UHFFFAOYSA-N -1 0 363.420 2.308 50 0 FEAARM C[C@H](O)c1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000065592734 205360054 /nfs/dbraw/zinc/36/00/54/205360054.db2.gz JGMZEGJUEAOEKP-JTQLQIEISA-N -1 0 355.419 2.195 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1cnn(-c3ccccc3C)c1)CC(=O)N2 ZINC000065374936 205341441 /nfs/dbraw/zinc/34/14/41/205341441.db2.gz TWLFWXDYONFMRO-AWEZNQCLSA-N -1 0 365.393 2.244 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2C(=O)[O-])c1OC ZINC000091694105 205688521 /nfs/dbraw/zinc/68/85/21/205688521.db2.gz MDIRWEDLHOPVKJ-LSDHHAIUSA-N -1 0 358.394 2.281 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(Cl)cc1F)CC2 ZINC000095362783 205730920 /nfs/dbraw/zinc/73/09/20/205730920.db2.gz LFFVACHNCJBKNV-CYBMUJFWSA-N -1 0 354.809 2.377 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101417719 205960719 /nfs/dbraw/zinc/96/07/19/205960719.db2.gz KTXHZPJHFOBMLI-IAGOWNOFSA-N -1 0 368.368 2.370 50 0 FEAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c(C)n1-c1nccs1 ZINC000237668239 206107353 /nfs/dbraw/zinc/10/73/53/206107353.db2.gz AMBJBYKUXRGBNF-UHFFFAOYSA-N -1 0 363.439 2.256 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000238053003 206113143 /nfs/dbraw/zinc/11/31/43/206113143.db2.gz OQKKODJHXDWZQC-AWEZNQCLSA-N -1 0 364.785 2.240 50 0 FEAARM O=C([O-])[C@H]1CCCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000238099654 206113316 /nfs/dbraw/zinc/11/33/16/206113316.db2.gz BSCQBYMWWGPODP-LLVKDONJSA-N -1 0 352.239 2.316 50 0 FEAARM CN1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1=O ZINC000141242350 206136171 /nfs/dbraw/zinc/13/61/71/206136171.db2.gz LEIYFPCFJQPENJ-HOCLYGCPSA-N -1 0 360.454 2.485 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c12 ZINC000002122496 206152660 /nfs/dbraw/zinc/15/26/60/206152660.db2.gz DZZVZQTWJZNCLC-KRWDZBQOSA-N -1 0 361.394 2.186 50 0 biogenic FEAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002099191 206153220 /nfs/dbraw/zinc/15/32/20/206153220.db2.gz STNXFILTVQCXMN-QGHHPUGFSA-N -1 0 361.394 2.355 50 0 biogenic FEAARM COCCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000003043493 206157893 /nfs/dbraw/zinc/15/78/93/206157893.db2.gz YFCASNVSHOGXBR-GFCCVEGCSA-N -1 0 361.467 2.204 50 0 FEAARM CC(C)CCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)[O-])cc1 ZINC000004063984 206167305 /nfs/dbraw/zinc/16/73/05/206167305.db2.gz WFAGFBBQVNKOBT-UHFFFAOYSA-N -1 0 364.442 2.212 50 0 biogenic FEAARM CCn1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)n1 ZINC000005598741 206197473 /nfs/dbraw/zinc/19/74/73/206197473.db2.gz JKAYNJKHQMRSBO-UHFFFAOYSA-N -1 0 359.411 2.169 50 0 FEAARM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000170631965 206277186 /nfs/dbraw/zinc/27/71/86/206277186.db2.gz JVTMDFADQIYROG-CYBMUJFWSA-N -1 0 359.451 2.495 50 0 FEAARM C[C@@H](C(=O)NCC1CCCCC1)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000010862812 206281770 /nfs/dbraw/zinc/28/17/70/206281770.db2.gz WBZCSLHNJBQCPL-LBPRGKRZSA-N -1 0 357.410 2.352 50 0 FEAARM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000013093814 206299818 /nfs/dbraw/zinc/29/98/18/206299818.db2.gz SHVZTXSYYVGTCA-SECBINFHSA-N -1 0 355.309 2.487 50 0 FEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(F)c1 ZINC000013069188 206300283 /nfs/dbraw/zinc/30/02/83/206300283.db2.gz PCDCLYFRUQUURY-UHFFFAOYSA-N -1 0 353.371 2.353 50 0 FEAARM COc1cc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000013769736 206306118 /nfs/dbraw/zinc/30/61/18/206306118.db2.gz HPDWHUHYIIEFKR-WQLSENKSSA-N -1 0 367.379 2.223 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000022185441 206368491 /nfs/dbraw/zinc/36/84/91/206368491.db2.gz UOTBIPFQJQGBAV-UHFFFAOYSA-N -1 0 366.402 2.098 50 0 FEAARM COc1cncc([C@@H](Nc2nc(C)[n-]c(=O)c2Cl)[C@H]2C[C@H](O)C2)c1 ZINC000220181441 206399043 /nfs/dbraw/zinc/39/90/43/206399043.db2.gz RURFCYQPPFVPCU-PXWWUCIGSA-N -1 0 350.806 2.472 50 0 FEAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccccc2F)cc1 ZINC000223101944 206431727 /nfs/dbraw/zinc/43/17/27/206431727.db2.gz KDZULHPSZJJOCG-IAGOWNOFSA-N -1 0 359.353 2.490 50 0 FEAARM CN(C)c1nc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cs1 ZINC000077385364 542375330 /nfs/dbraw/zinc/37/53/30/542375330.db2.gz MAKIXPSTKDZDGA-UHFFFAOYSA-N -1 0 356.411 2.371 50 0 FEAARM Cc1cc2n(n1)CCCN(c1nccc(-c3cc(C(=O)[O-])ccn3)n1)C2 ZINC000077408377 542379111 /nfs/dbraw/zinc/37/91/11/542379111.db2.gz VGGRLVREUQLRRJ-UHFFFAOYSA-N -1 0 350.382 2.152 50 0 FEAARM O=C([O-])C1(Oc2ccc3ncccc3c2)CCN(Cc2ncc[nH]2)CC1 ZINC000077487070 542388515 /nfs/dbraw/zinc/38/85/15/542388515.db2.gz ALFLSNIUFJBZMG-UHFFFAOYSA-N -1 0 352.394 2.456 50 0 FEAARM CC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000089292218 542760182 /nfs/dbraw/zinc/76/01/82/542760182.db2.gz RWAMCIRNDXZCNG-INIZCTEOSA-N -1 0 352.346 2.331 50 0 FEAARM O=C([O-])C1(NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCCC1 ZINC000089793120 542770980 /nfs/dbraw/zinc/77/09/80/542770980.db2.gz MHXRFOMNLABYFK-UHFFFAOYSA-N -1 0 364.402 2.417 50 0 FEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000092065030 542842153 /nfs/dbraw/zinc/84/21/53/542842153.db2.gz YMFSCFRKAMSERV-SFHVURJKSA-N -1 0 353.390 2.325 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000092078212 542844122 /nfs/dbraw/zinc/84/41/22/542844122.db2.gz ITJQIQUJXUJAOL-LSDHHAIUSA-N -1 0 371.364 2.424 50 0 FEAARM CC1(C)Cc2cc(-c3cn([C@@H](Cc4c[nH]cn4)C(=O)[O-])nn3)ccc2O1 ZINC000095356537 542958209 /nfs/dbraw/zinc/95/82/09/542958209.db2.gz NNNCMVKTKMCDBZ-HNNXBMFYSA-N -1 0 353.382 2.250 50 0 FEAARM Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095361195 542960202 /nfs/dbraw/zinc/96/02/02/542960202.db2.gz CBRYQQCXTGIVSL-NSHDSACASA-N -1 0 365.817 2.236 50 0 FEAARM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)C[C@@H](C)O1 ZINC000095390029 542968498 /nfs/dbraw/zinc/96/84/98/542968498.db2.gz ZZENENKNUPRGAA-BZPMIXESSA-N -1 0 354.397 2.384 50 0 FEAARM Cc1oc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000095425177 542969042 /nfs/dbraw/zinc/96/90/42/542969042.db2.gz UNOSREATZMZOBT-UHFFFAOYSA-N -1 0 370.405 2.455 50 0 FEAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 ZINC000095989917 542985335 /nfs/dbraw/zinc/98/53/35/542985335.db2.gz WRCKXZCNWWDUCJ-LBPRGKRZSA-N -1 0 353.375 2.026 50 0 FEAARM Cn1nc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Br ZINC000095985513 542985526 /nfs/dbraw/zinc/98/55/26/542985526.db2.gz GVAYFUHSDUOCHQ-UHFFFAOYSA-N -1 0 356.245 2.472 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1cccc(OCc2ccccn2)c1 ZINC000095528100 542982109 /nfs/dbraw/zinc/98/21/09/542982109.db2.gz AUQZOJLJCVAREC-LJQANCHMSA-N -1 0 364.405 2.395 50 0 FEAARM COC(=O)C[C@@H](c1cccnc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117149 542992201 /nfs/dbraw/zinc/99/22/01/542992201.db2.gz LCZFHJLPCFJPAP-LBPRGKRZSA-N -1 0 359.769 2.144 50 0 FEAARM Cc1onc(-c2ccccc2)c1C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000096153685 542994571 /nfs/dbraw/zinc/99/45/71/542994571.db2.gz IMRWMFFIYRIYEV-AWEZNQCLSA-N -1 0 352.350 2.025 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000096286255 542997892 /nfs/dbraw/zinc/99/78/92/542997892.db2.gz IJMJLSVLKVKYIO-JKSUJKDBSA-N -1 0 372.331 2.467 50 0 FEAARM CCN(CCO)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000098077128 543019810 /nfs/dbraw/zinc/01/98/10/543019810.db2.gz LUYSFTPSGIALSF-UHFFFAOYSA-N -1 0 354.453 2.003 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(OC)c4)c=3c2=O)cc1 ZINC000101277712 543026557 /nfs/dbraw/zinc/02/65/57/543026557.db2.gz BALCFQTUNZJSSZ-HZPDHXFCSA-N -1 0 352.350 2.202 50 0 FEAARM COc1cccc(OC)c1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262079403 328840599 /nfs/dbraw/zinc/84/05/99/328840599.db2.gz DZGMXFZVLOZMBA-LJQANCHMSA-N -1 0 355.390 2.457 50 0 FEAARM CCc1nc(COc2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)no1 ZINC000262585547 328874678 /nfs/dbraw/zinc/87/46/78/328874678.db2.gz SFTKPRTWHCWGMC-CQSZACIVSA-N -1 0 359.382 2.290 50 0 FEAARM Cc1noc(CCCNC(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000262652880 328878902 /nfs/dbraw/zinc/87/89/02/328878902.db2.gz JYNPTWJWLNVDGZ-UHFFFAOYSA-N -1 0 368.187 2.201 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000237602765 519682400 /nfs/dbraw/zinc/68/24/00/519682400.db2.gz CFUABQILFJUFBX-BMIGLBTASA-N -1 0 368.380 2.244 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236685870 519682837 /nfs/dbraw/zinc/68/28/37/519682837.db2.gz GHTFBYOFITZVOA-HIFRSBDPSA-N -1 0 352.818 2.231 50 0 FEAARM CCc1nc(COc2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)no1 ZINC000262232883 522363541 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Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cnn1C1CCOCC1 ZINC000683319870 939871052 /nfs/dbraw/zinc/87/10/52/939871052.db2.gz UGPRJDDQKOQIBO-INIZCTEOSA-N -1 0 361.373 2.238 50 0 FEAARM O=C([O-])CSCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000633915 539331645 /nfs/dbraw/zinc/33/16/45/539331645.db2.gz CPCLWFQECRCXSW-UHFFFAOYSA-N -1 0 365.432 2.488 50 0 FEAARM CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000000938050 539336252 /nfs/dbraw/zinc/33/62/52/539336252.db2.gz RXVNXBWESPXHFR-KRWDZBQOSA-N -1 0 361.419 2.286 50 0 FEAARM Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001001256 539336679 /nfs/dbraw/zinc/33/66/79/539336679.db2.gz IWIWANMQKMYTEU-GJZGRUSLSA-N -1 0 355.394 2.090 50 0 FEAARM O=C([O-])[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000002101942 539344546 /nfs/dbraw/zinc/34/45/46/539344546.db2.gz DKIDUEFGXKKXNI-JTTNIQEDSA-N -1 0 354.399 2.316 50 0 biogenic FEAARM COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000002140837 539345992 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O=C([O-])c1cc(-c2ccoc2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071745504 541769944 /nfs/dbraw/zinc/76/99/44/541769944.db2.gz YPNQUQFYKQKQDS-UHFFFAOYSA-N -1 0 353.421 2.382 50 0 FEAARM COc1ccc(C(=O)[C@@H]2CCCN(Cc3c[nH]nc3C(=O)[O-])C2)cc1OC ZINC000071749110 541770167 /nfs/dbraw/zinc/77/01/67/541770167.db2.gz ISCSIRDASCZQEZ-CYBMUJFWSA-N -1 0 373.409 2.220 50 0 FEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1N1CCCC1=O ZINC000071798134 541772171 /nfs/dbraw/zinc/77/21/71/541772171.db2.gz FZQLMLSZQZVWKG-UONOGXRCSA-N -1 0 358.394 2.428 50 0 FEAARM COc1cc2sc(=NC(=O)c3nccnc3C(=O)[O-])[nH]c2cc1Cl ZINC000072401036 541805003 /nfs/dbraw/zinc/80/50/03/541805003.db2.gz HNWCTXATVTWHDH-UHFFFAOYSA-N -1 0 364.770 2.699 50 0 FEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3cncc(F)c3)CC2)n1 ZINC000072409325 541806335 /nfs/dbraw/zinc/80/63/35/541806335.db2.gz ACVJBTQGLRAQMC-UHFFFAOYSA-N -1 0 374.416 2.431 50 0 FEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC000072419533 541808298 /nfs/dbraw/zinc/80/82/98/541808298.db2.gz FIVCGYXMCFKKJR-NSHDSACASA-N -1 0 355.385 2.238 50 0 FEAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1ccccc1)CCN(C(=O)C1CC1)CC2 ZINC000072420178 541808976 /nfs/dbraw/zinc/80/89/76/541808976.db2.gz SIYKKADJPXONBH-INIZCTEOSA-N -1 0 356.422 2.005 50 0 FEAARM COc1cc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)cc2c1OCO2 ZINC000072428802 541811624 /nfs/dbraw/zinc/81/16/24/541811624.db2.gz KMORDJMTZNOJTL-UHFFFAOYSA-N -1 0 373.409 2.044 50 0 FEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)Cc2ccncc2)CC1 ZINC000072429201 541811778 /nfs/dbraw/zinc/81/17/78/541811778.db2.gz JWDCRMPEUFADFR-UHFFFAOYSA-N -1 0 354.406 2.457 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1ccccc1F)CCN(C(=O)C1CC1)CC2 ZINC000072453642 541815863 /nfs/dbraw/zinc/81/58/63/541815863.db2.gz BDBANHWENOXGIM-MRXNPFEDSA-N -1 0 374.412 2.144 50 0 FEAARM Cc1nccn1[C@H](C)C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072475942 541819560 /nfs/dbraw/zinc/81/95/60/541819560.db2.gz CNRLANKVALPOFH-CQSZACIVSA-N -1 0 357.410 2.277 50 0 FEAARM COc1cc(/C=C2/SC(=O)N(CCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000002420196 204039243 /nfs/dbraw/zinc/03/92/43/204039243.db2.gz HPDWHUHYIIEFKR-XYOKQWHBSA-N -1 0 367.379 2.223 50 0 FEAARM CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)[O-] ZINC000002560683 204043492 /nfs/dbraw/zinc/04/34/92/204043492.db2.gz IXHPIPUIOSSAIS-LLVKDONJSA-N -1 0 355.391 2.187 50 0 FEAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000001431534 204006819 /nfs/dbraw/zinc/00/68/19/204006819.db2.gz QJIWUZAKCHMZMA-HTQZYQBOSA-N -1 0 368.238 2.490 50 0 FEAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCC(=O)[O-] ZINC000002117831 204025843 /nfs/dbraw/zinc/02/58/43/204025843.db2.gz JLBDXTHAWXMJRV-LLVKDONJSA-N -1 0 359.378 2.030 50 0 biogenic FEAARM COc1ccc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1 ZINC000002103843 204026245 /nfs/dbraw/zinc/02/62/45/204026245.db2.gz OFBVYBHRXNZMIG-UHFFFAOYSA-N -1 0 361.394 2.414 50 0 biogenic FEAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002560868 204044092 /nfs/dbraw/zinc/04/40/92/204044092.db2.gz JYOQCCFYSJPSLC-HUUCEWRRSA-N -1 0 362.426 2.198 50 0 FEAARM Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)C(=O)[O-] ZINC000002788189 204057514 /nfs/dbraw/zinc/05/75/14/204057514.db2.gz XGINGLLXNOAPQP-UHFFFAOYSA-N -1 0 352.188 2.334 50 0 FEAARM CCn1ncc(Cn2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cn2)c1C ZINC000002809411 204059169 /nfs/dbraw/zinc/05/91/69/204059169.db2.gz OBEFTEVEYHCKTH-CVEARBPZSA-N -1 0 359.430 2.286 50 0 FEAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3cccc(F)c3)c2)c1C ZINC000002804879 204059626 /nfs/dbraw/zinc/05/96/26/204059626.db2.gz SEAGAGBUCGJUAY-UHFFFAOYSA-N -1 0 363.418 2.396 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000004660757 204153179 /nfs/dbraw/zinc/15/31/79/204153179.db2.gz ORWRJNDTPRVXQH-UHFFFAOYSA-N -1 0 363.391 2.369 50 0 FEAARM CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)[O-] ZINC000004521633 204144868 /nfs/dbraw/zinc/14/48/68/204144868.db2.gz KFGOFTHODYBSGM-XYLSPXTRSA-N -1 0 370.486 2.446 50 0 FEAARM CC(=O)NC1C(=O)N=C(SCc2ccc(Br)cc2)N=C1[O-] ZINC000004954118 204179082 /nfs/dbraw/zinc/17/90/82/204179082.db2.gz OSEXKNPGRRNIDU-UHFFFAOYSA-N -1 0 370.228 2.489 50 0 FEAARM COc1ccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nnn[n-]2)cc1 ZINC000005670569 204219399 /nfs/dbraw/zinc/21/93/99/204219399.db2.gz REQOZUSKYVNTIY-HNNXBMFYSA-N -1 0 353.382 2.182 50 0 FEAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000005272704 204201145 /nfs/dbraw/zinc/20/11/45/204201145.db2.gz QHNDFNINZNWXRI-HOTGVXAUSA-N -1 0 374.437 2.424 50 0 FEAARM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(OC)c1OC ZINC000005721320 204222389 /nfs/dbraw/zinc/22/23/89/204222389.db2.gz QUGQBWRIIPLVNZ-KPKJPENVSA-N -1 0 351.384 2.357 50 0 FEAARM CC1=C(C)C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H](C(=O)[O-])C1 ZINC000006730883 204263447 /nfs/dbraw/zinc/26/34/47/204263447.db2.gz OXMZCYQYZJXSTQ-LSDHHAIUSA-N -1 0 360.410 2.011 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1OC ZINC000006770691 204267883 /nfs/dbraw/zinc/26/78/83/204267883.db2.gz CZYQSSBWTGCVQB-IAGOWNOFSA-N -1 0 366.377 2.197 50 0 FEAARM Cc1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000006810091 204272470 /nfs/dbraw/zinc/27/24/70/204272470.db2.gz MIFJNPHKAKCNSD-LSDHHAIUSA-N -1 0 355.398 2.356 50 0 FEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1 ZINC000006887555 204279388 /nfs/dbraw/zinc/27/93/88/204279388.db2.gz IMTUUEBUZSHPMN-UHFFFAOYSA-N -1 0 361.379 2.229 50 0 FEAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc3ccccc3n1)C2=O ZINC000008189600 204321650 /nfs/dbraw/zinc/32/16/50/204321650.db2.gz IPXUALVVGYBKDA-UHFFFAOYSA-N -1 0 352.394 2.380 50 0 FEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-][C@@H](C)c3ccccc3)c2=O)s1 ZINC000008589421 204335581 /nfs/dbraw/zinc/33/55/81/204335581.db2.gz NXUUAFCHDSECLN-NSHDSACASA-N -1 0 363.464 2.412 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000012560662 204475174 /nfs/dbraw/zinc/47/51/74/204475174.db2.gz QLKUQRFYKYFGBX-UHFFFAOYSA-N -1 0 360.391 2.312 50 0 FEAARM O=C([O-])C[C@H]1Sc2nnc([C@@H]3CCCO3)n2N=C1c1ccc(F)cc1 ZINC000013182964 204525012 /nfs/dbraw/zinc/52/50/12/204525012.db2.gz QIEPSVCBRWDWPA-NWDGAFQWSA-N -1 0 362.386 2.470 50 0 FEAARM O=S(=O)(NCCCN1CCOCC1)c1cc(Cl)sc1Cl ZINC000038638392 205040899 /nfs/dbraw/zinc/04/08/99/205040899.db2.gz HONIRHRLUNJLQY-UHFFFAOYSA-N -1 0 359.300 2.056 50 0 FEAARM COc1cccc2c1ccn2CCC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000040309500 205066874 /nfs/dbraw/zinc/06/68/74/205066874.db2.gz BAJRQYXVJJBOCV-ZDUSSCGKSA-N -1 0 350.440 2.363 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 ZINC000299740911 205117722 /nfs/dbraw/zinc/11/77/22/205117722.db2.gz CCKZPNRISSZAIQ-CQSZACIVSA-N -1 0 358.325 2.102 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2c1OCO2 ZINC000299744216 205126124 /nfs/dbraw/zinc/12/61/24/205126124.db2.gz NYHPDZZRKCNIOI-OAHLLOKOSA-N -1 0 352.346 2.322 50 0 FEAARM CC[C@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299745631 205127282 /nfs/dbraw/zinc/12/72/82/205127282.db2.gz RMXNOEGSSOUZDH-BXUZGUMPSA-N -1 0 370.243 2.330 50 0 FEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n1 ZINC000299753257 205134281 /nfs/dbraw/zinc/13/42/81/205134281.db2.gz XMXJPLUJKLAFTC-LLVKDONJSA-N -1 0 365.455 2.029 50 0 FEAARM COc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1C(=O)[O-] ZINC000299753531 205134330 /nfs/dbraw/zinc/13/43/30/205134330.db2.gz YLTZWERQZYTGKK-CYBMUJFWSA-N -1 0 354.362 2.136 50 0 FEAARM CCOc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1OC ZINC000299752987 205134729 /nfs/dbraw/zinc/13/47/29/205134729.db2.gz WITDYLXIBUBLHZ-UHFFFAOYSA-N -1 0 351.399 2.190 50 0 FEAARM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)s1 ZINC000051896749 205183472 /nfs/dbraw/zinc/18/34/72/205183472.db2.gz CQDJDCGKZHVQOO-UHFFFAOYSA-N -1 0 352.437 2.335 50 0 FEAARM CCc1cccc(NC(=O)CCC(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000055270737 205213007 /nfs/dbraw/zinc/21/30/07/205213007.db2.gz YJBZMGFPWSHIBF-CQSZACIVSA-N -1 0 352.456 2.290 50 0 FEAARM Cc1cc(-n2c(Cc3ccccc3F)nnc2SCC(=O)[O-])n(C)n1 ZINC000067677889 205381865 /nfs/dbraw/zinc/38/18/65/205381865.db2.gz YEGAHKXLCVIPEH-UHFFFAOYSA-N -1 0 361.402 2.216 50 0 FEAARM Cn1nc(C(=O)[O-])c2c1CCN(S(=O)(=O)c1cccc3ccccc31)C2 ZINC000067804162 205393313 /nfs/dbraw/zinc/39/33/13/205393313.db2.gz VZNTXMPXMPPNOV-UHFFFAOYSA-N -1 0 371.418 2.019 50 0 FEAARM O=C([O-])CCN1CC2(CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)OC1=O ZINC000077299352 205588307 /nfs/dbraw/zinc/58/83/07/205588307.db2.gz KBFMIWABAKCWJG-MRXNPFEDSA-N -1 0 372.421 2.005 50 0 FEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(C3CCCC3)C(=O)C2)cc1F ZINC000095363081 205731798 /nfs/dbraw/zinc/73/17/98/205731798.db2.gz YMTOEECJCVENPS-KRWDZBQOSA-N -1 0 350.390 2.047 50 0 FEAARM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)N2CCSCC2)c1 ZINC000095940685 205795366 /nfs/dbraw/zinc/79/53/66/205795366.db2.gz BWQRIAMNHMUCAN-UHFFFAOYSA-N -1 0 356.252 2.429 50 0 FEAARM CCCCCn1nc(C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000236696769 205927093 /nfs/dbraw/zinc/92/70/93/205927093.db2.gz RUIQXPYHQGHVGP-HNNXBMFYSA-N -1 0 357.410 2.276 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000236684737 205927552 /nfs/dbraw/zinc/92/75/52/205927552.db2.gz WYPFLHLNUIJARJ-LSDHHAIUSA-N -1 0 352.818 2.373 50 0 FEAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237739059 206106702 /nfs/dbraw/zinc/10/67/02/206106702.db2.gz DIANMGQYCKJPOI-DCAQKATOSA-N -1 0 361.427 2.095 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000238031678 206112915 /nfs/dbraw/zinc/11/29/15/206112915.db2.gz HTKKTBFWLIZMCG-LJQANCHMSA-N -1 0 361.401 2.453 50 0 FEAARM COCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)ccc1F ZINC000122126564 206110548 /nfs/dbraw/zinc/11/05/48/206110548.db2.gz IZCVUQPHXXJXOF-UHFFFAOYSA-N -1 0 372.805 2.280 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000237962921 206110627 /nfs/dbraw/zinc/11/06/27/206110627.db2.gz FBNDBBOJDFIHAT-ROUUACIJSA-N -1 0 372.465 2.181 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2csc(-c3cnccn3)n2)C1 ZINC000237960358 206112227 /nfs/dbraw/zinc/11/22/27/206112227.db2.gz GSGKJZWSWMHSHD-LBPRGKRZSA-N -1 0 360.439 2.246 50 0 FEAARM COc1ccc(CCNC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000001322793 206146954 /nfs/dbraw/zinc/14/69/54/206146954.db2.gz PXNGTRUOJCGKIJ-UHFFFAOYSA-N -1 0 364.401 2.244 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N3CCCC[C@@H]3C(=O)[O-])c(=O)oc2c1 ZINC000002103774 206152427 /nfs/dbraw/zinc/15/24/27/206152427.db2.gz PLXXRMIOJWENQI-OAHLLOKOSA-N -1 0 359.378 2.118 50 0 biogenic FEAARM O=C(CNC(=O)c1cc(F)cc(Br)c1[O-])N1CCCCC1 ZINC000170606236 206273462 /nfs/dbraw/zinc/27/34/62/206273462.db2.gz SGKISOKADIDCLN-UHFFFAOYSA-N -1 0 359.195 2.036 50 0 FEAARM Cc1nc2sc(-c3ccccc3)cc2c(N[C@H](CC(N)=O)C(=O)[O-])n1 ZINC000020315042 206329793 /nfs/dbraw/zinc/32/97/93/206329793.db2.gz LKHJTXLHPYVCJJ-GFCCVEGCSA-N -1 0 356.407 2.407 50 0 FEAARM CCn1c(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)nc2ccccc21 ZINC000057996047 206390049 /nfs/dbraw/zinc/39/00/49/206390049.db2.gz VOZXGXSUSXJHDN-UHFFFAOYSA-N -1 0 372.450 2.358 50 0 FEAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000006021327 533417783 /nfs/dbraw/zinc/41/77/83/533417783.db2.gz BNBTUHIDEYFLSF-FOWTUZBSSA-N -1 0 353.353 2.472 50 0 FEAARM CC1=C(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)SC2=NCCN12 ZINC000091575229 542813639 /nfs/dbraw/zinc/81/36/39/542813639.db2.gz SUZLOCKQNQADFI-LSDHHAIUSA-N -1 0 371.462 2.272 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3cn4ccccc4n3)C[C@H]2C(=O)[O-])c1 ZINC000091858470 542829127 /nfs/dbraw/zinc/82/91/27/542829127.db2.gz JENZGVKSYKURBP-JKSUJKDBSA-N -1 0 365.389 2.283 50 0 FEAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000092065029 542841962 /nfs/dbraw/zinc/84/19/62/542841962.db2.gz YMFSCFRKAMSERV-GOSISDBHSA-N -1 0 353.390 2.325 50 0 FEAARM O=C([O-])Cc1cccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000095427678 542970205 /nfs/dbraw/zinc/97/02/05/542970205.db2.gz GNKLGVKDQYASRC-UHFFFAOYSA-N -1 0 374.418 2.106 50 0 FEAARM CC[C@H](CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000095464478 542972090 /nfs/dbraw/zinc/97/20/90/542972090.db2.gz RGRPFBZQNZOKHY-NVXWUHKLSA-N -1 0 360.454 2.352 50 0 FEAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 ZINC000095479490 542973122 /nfs/dbraw/zinc/97/31/22/542973122.db2.gz ROPJAWAXLYTGDG-CYBMUJFWSA-N -1 0 357.366 2.350 50 0 FEAARM C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000095958491 542984318 /nfs/dbraw/zinc/98/43/18/542984318.db2.gz YHZCCPXSAQDOFE-NSHDSACASA-N -1 0 353.371 2.100 50 0 FEAARM CCOc1ccc(CCCC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1C ZINC000096164677 542994316 /nfs/dbraw/zinc/99/43/16/542994316.db2.gz CZRSUZIQPZPMJJ-QGZVFWFLSA-N -1 0 371.437 2.478 50 0 FEAARM COCCN(Cc1cnn(C)c1)C(=O)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097301397 543009686 /nfs/dbraw/zinc/00/96/86/543009686.db2.gz FZDJBPOCTNCHHK-UHFFFAOYSA-N -1 0 358.373 2.102 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000101417490 543027254 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2.166 50 0 FEAARM C[C@H]1CCCN(C(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)C1 ZINC000015826914 539624311 /nfs/dbraw/zinc/62/43/11/539624311.db2.gz IICODZHADQTXIY-NSHDSACASA-N -1 0 353.469 2.149 50 0 FEAARM COc1cc2nc(O)c(C(=O)NCc3ccccc3F)c([O-])c2cc1OC ZINC000017042508 539638203 /nfs/dbraw/zinc/63/82/03/539638203.db2.gz SLMWYJRFTQLAJA-UHFFFAOYSA-N -1 0 372.352 2.320 50 0 FEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC(C)C)c2=O ZINC000017113114 539639236 /nfs/dbraw/zinc/63/92/36/539639236.db2.gz MBRUTYSXPLHUHE-UHFFFAOYSA-N -1 0 363.439 2.008 50 0 FEAARM CCOc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])ccc1OC(F)F ZINC000020616097 539676585 /nfs/dbraw/zinc/67/65/85/539676585.db2.gz DJLOQNROTPWEOM-UHFFFAOYSA-N -1 0 355.297 2.371 50 0 FEAARM CC(C)NC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1 ZINC000020940035 539678874 /nfs/dbraw/zinc/67/88/74/539678874.db2.gz IOJZGCXPSSHWIY-UHFFFAOYSA-N -1 0 363.361 2.332 50 0 FEAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)NCc2cccnc2)c1C ZINC000032579073 539943477 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FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)CSc1ccccc1)C2 ZINC000072439754 541815021 /nfs/dbraw/zinc/81/50/21/541815021.db2.gz ZPNSFJUHHLQTHF-UHFFFAOYSA-N -1 0 359.451 2.425 50 0 FEAARM Cc1nccn1CCC(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072468004 541817496 /nfs/dbraw/zinc/81/74/96/541817496.db2.gz NRHJQNYFJYHVJD-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H](C)n3cccc3)CC2)cn1 ZINC000072481021 541822650 /nfs/dbraw/zinc/82/26/50/541822650.db2.gz YOSGWZPIHSLNGI-HNNXBMFYSA-N -1 0 357.410 2.277 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3noc([C@@H]4CCCO4)n3)n2)c1 ZINC000072474876 541819415 /nfs/dbraw/zinc/81/94/15/541819415.db2.gz DULXJNSOHXYANG-ZDUSSCGKSA-N -1 0 368.353 2.083 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000003025623 204074699 /nfs/dbraw/zinc/07/46/99/204074699.db2.gz FWWSXMNEESIYEQ-INIZCTEOSA-N -1 0 365.407 2.198 50 0 biogenic FEAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002560871 204044349 /nfs/dbraw/zinc/04/43/49/204044349.db2.gz JYOQCCFYSJPSLC-LSDHHAIUSA-N -1 0 362.426 2.198 50 0 FEAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Cl)CCC3 ZINC000002776684 204056017 /nfs/dbraw/zinc/05/60/17/204056017.db2.gz AGVZVGJGRYGLCN-UHFFFAOYSA-N -1 0 363.830 2.026 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1Br ZINC000003408006 204097514 /nfs/dbraw/zinc/09/75/14/204097514.db2.gz LJVJSBNHQVCYLP-UHFFFAOYSA-N -1 0 360.185 2.219 50 0 FEAARM O=C([N-]C(=O)c1ccc(Cl)c(Cl)c1)O[C@H]1CCS(=O)(=O)C1 ZINC000003622456 204109524 /nfs/dbraw/zinc/10/95/24/204109524.db2.gz MUYYVRWGNFUEBX-QMMMGPOBSA-N -1 0 352.195 2.047 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(C)CC2)cc1 ZINC000004809264 204164335 /nfs/dbraw/zinc/16/43/35/204164335.db2.gz CJYIHUGCZLJJLP-UHFFFAOYSA-N -1 0 373.478 2.183 50 0 FEAARM COC(=O)c1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000005154441 204194539 /nfs/dbraw/zinc/19/45/39/204194539.db2.gz LDZKWRUUHCOBHQ-UHFFFAOYSA-N -1 0 354.341 2.425 50 0 FEAARM O=C([N-][C@H](CO)c1ccccc1)C(F)(Br)Br ZINC000005947644 204232812 /nfs/dbraw/zinc/23/28/12/204232812.db2.gz SUZHGRUUVJGAJK-MRVPVSSYSA-N -1 0 355.001 2.249 50 0 FEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000007026713 204286676 /nfs/dbraw/zinc/28/66/76/204286676.db2.gz SSKMJIZLGINARU-UHFFFAOYSA-N -1 0 373.390 2.465 50 0 FEAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@@H](c3cccs3)C2)c(=O)o1 ZINC000006719500 204262055 /nfs/dbraw/zinc/26/20/55/204262055.db2.gz UUGNVBGERQZVGQ-LLVKDONJSA-N -1 0 370.390 2.125 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000006770677 204268296 /nfs/dbraw/zinc/26/82/96/204268296.db2.gz IJMJLSVLKVKYIO-CVEARBPZSA-N -1 0 372.331 2.467 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000006770371 204268585 /nfs/dbraw/zinc/26/85/85/204268585.db2.gz WGWHOFKIZOXTDP-IAGOWNOFSA-N -1 0 350.378 2.497 50 0 FEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1 ZINC000006887556 204279350 /nfs/dbraw/zinc/27/93/50/204279350.db2.gz VDYJRTKAQYAXES-UHFFFAOYSA-N -1 0 361.379 2.148 50 0 FEAARM Cc1c(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000007785572 204307402 /nfs/dbraw/zinc/30/74/02/204307402.db2.gz CKZWCTGBJCHEDJ-NWDGAFQWSA-N -1 0 363.439 2.018 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n(-c2ccccn2)n1 ZINC000009421783 204367633 /nfs/dbraw/zinc/36/76/33/204367633.db2.gz XQAYBEUATIZOMS-UHFFFAOYSA-N -1 0 372.406 2.148 50 0 FEAARM CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012974189 204514304 /nfs/dbraw/zinc/51/43/04/204514304.db2.gz AVYLHPUDUXICAB-UHFFFAOYSA-N -1 0 372.450 2.454 50 0 FEAARM O=C([O-])Cn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397303 205069433 /nfs/dbraw/zinc/06/94/33/205069433.db2.gz UHUJMHLKVSJNBN-UHFFFAOYSA-N -1 0 354.753 2.449 50 0 FEAARM CN1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2Cl)CC1 ZINC000041636525 205091755 /nfs/dbraw/zinc/09/17/55/205091755.db2.gz XUIYCYRMRUBXNY-CYBMUJFWSA-N -1 0 363.874 2.487 50 0 FEAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000084507122 205123782 /nfs/dbraw/zinc/12/37/82/205123782.db2.gz ZPFJICBRZCHMCE-VIFPVBQESA-N -1 0 353.318 2.213 50 0 FEAARM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000299742704 205124700 /nfs/dbraw/zinc/12/47/00/205124700.db2.gz IOMANKXLQRWMNT-SLTAFYQDSA-N -1 0 350.459 2.317 50 0 FEAARM O=C([O-])CCN(C(=O)[C@H]1COc2ccc(Cl)cc2C1)C1CCOCC1 ZINC000299747011 205126192 /nfs/dbraw/zinc/12/61/92/205126192.db2.gz BUTXIURJRFZKIV-CYBMUJFWSA-N -1 0 367.829 2.373 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000299748369 205128736 /nfs/dbraw/zinc/12/87/36/205128736.db2.gz HDJQIFRVZVIBSA-KRWDZBQOSA-N -1 0 366.352 2.058 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1nncn1-c1ccccc1 ZINC000299751268 205131494 /nfs/dbraw/zinc/13/14/94/205131494.db2.gz QCFZWKNDBHSUOW-PVAVHDDUSA-N -1 0 368.437 2.444 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1OCCO2 ZINC000057115805 205235476 /nfs/dbraw/zinc/23/54/76/205235476.db2.gz XBFZZBRHMLHIPF-UHFFFAOYSA-N -1 0 371.317 2.235 50 0 FEAARM COc1cc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)ccc1O ZINC000057525285 205242660 /nfs/dbraw/zinc/24/26/60/205242660.db2.gz WZBFXPIRRCOCED-HNNXBMFYSA-N -1 0 367.409 2.496 50 0 FEAARM CC1CCN(S(=O)(=O)c2nn(Cc3ccccc3)cc2C(=O)[O-])CC1 ZINC000065240416 205327377 /nfs/dbraw/zinc/32/73/77/205327377.db2.gz LUVOUMVBPHBQFJ-UHFFFAOYSA-N -1 0 363.439 2.050 50 0 FEAARM COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000064837086 205306202 /nfs/dbraw/zinc/30/62/02/205306202.db2.gz ULERXMOHCHYNMK-UHFFFAOYSA-N -1 0 357.391 2.246 50 0 FEAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)n(C)c1C ZINC000064923097 205309557 /nfs/dbraw/zinc/30/95/57/205309557.db2.gz QPAOBDGPTUCYPZ-UHFFFAOYSA-N -1 0 352.412 2.320 50 0 FEAARM COc1cc([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)cc(OC)c1 ZINC000065183585 205321697 /nfs/dbraw/zinc/32/16/97/205321697.db2.gz XBMLQOKWQHWFKB-UHFFFAOYSA-N -1 0 368.440 2.226 50 0 FEAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc(OC)c1OC ZINC000066091690 205363658 /nfs/dbraw/zinc/36/36/58/205363658.db2.gz ZTSYVDQLBOTHAU-QMMMGPOBSA-N -1 0 364.379 2.341 50 0 FEAARM Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000067456150 205372310 /nfs/dbraw/zinc/37/23/10/205372310.db2.gz RNYKOPCWQGRBBU-CVEARBPZSA-N -1 0 372.421 2.073 50 0 FEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1c(C)nc2ccc(Cl)cn21)C(=O)[O-] ZINC000067674635 205381390 /nfs/dbraw/zinc/38/13/90/205381390.db2.gz OSWCABDLQMKHHH-ZDUSSCGKSA-N -1 0 361.789 2.192 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000072409647 205533867 /nfs/dbraw/zinc/53/38/67/205533867.db2.gz XKSRNVNFWUWHAC-UHFFFAOYSA-N -1 0 350.378 2.147 50 0 FEAARM CCc1ccc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(C)=O)C3)CC2)cc1 ZINC000085533845 205662707 /nfs/dbraw/zinc/66/27/07/205662707.db2.gz IZDZFTBMHAWJOL-QGZVFWFLSA-N -1 0 358.438 2.177 50 0 FEAARM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237019321 206064885 /nfs/dbraw/zinc/06/48/85/206064885.db2.gz DNDCSSWGUPCKKQ-JSGCOSHPSA-N -1 0 370.243 2.330 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1OC ZINC000047202357 206079017 /nfs/dbraw/zinc/07/90/17/206079017.db2.gz SLOYLOCGVQUUJG-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000238124706 206113604 /nfs/dbraw/zinc/11/36/04/206113604.db2.gz HSHUCWQBBJHYDM-CQSZACIVSA-N -1 0 374.343 2.332 50 0 FEAARM O=C([O-])c1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000238023890 206113749 /nfs/dbraw/zinc/11/37/49/206113749.db2.gz OHRPJGQDXFUKFF-UHFFFAOYSA-N -1 0 352.390 2.437 50 0 FEAARM O=C([O-])CC1(CC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCCC1 ZINC000238089977 206113799 /nfs/dbraw/zinc/11/37/99/206113799.db2.gz ILPVOMSLZGSORX-LLVKDONJSA-N -1 0 364.364 2.081 50 0 FEAARM O=C([O-])c1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 ZINC000238209206 206115832 /nfs/dbraw/zinc/11/58/32/206115832.db2.gz BTXMVFXBYCOBNU-UHFFFAOYSA-N -1 0 352.390 2.437 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 ZINC000238007504 206111168 /nfs/dbraw/zinc/11/11/68/206111168.db2.gz JMCVOMBEZJNGAJ-OAHLLOKOSA-N -1 0 356.426 2.303 50 0 FEAARM CN1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1=O ZINC000141241753 206136943 /nfs/dbraw/zinc/13/69/43/206136943.db2.gz LEIYFPCFJQPENJ-GDBMZVCRSA-N -1 0 360.454 2.485 50 0 FEAARM COc1ccc(CCNC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000001294468 206147211 /nfs/dbraw/zinc/14/72/11/206147211.db2.gz ZTWNWTZCAAMEBQ-UHFFFAOYSA-N -1 0 352.390 2.225 50 0 FEAARM CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000004084593 206167625 /nfs/dbraw/zinc/16/76/25/206167625.db2.gz ADLQHGOSJQKJRI-XJKCOSOUSA-N -1 0 360.435 2.111 50 0 biogenic FEAARM O=C([N-]S(=O)(=O)CCCC(F)(F)F)[C@@H]1OCCc2ccccc21 ZINC000157022885 206222081 /nfs/dbraw/zinc/22/20/81/206222081.db2.gz JVLWZAVITXBRCY-GFCCVEGCSA-N -1 0 351.346 2.089 50 0 FEAARM O=C([O-])CCS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000101160507 206226526 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FEAARM CS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000072400663 541804469 /nfs/dbraw/zinc/80/44/69/541804469.db2.gz FJTUUZYPOUJHPZ-SECBINFHSA-N -1 0 352.393 2.368 50 0 FEAARM CS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000072400661 541804828 /nfs/dbraw/zinc/80/48/28/541804828.db2.gz FJTUUZYPOUJHPZ-VIFPVBQESA-N -1 0 352.393 2.368 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)NCc2cccc(C)c2)CC1 ZINC000072468078 541817729 /nfs/dbraw/zinc/81/77/29/541817729.db2.gz UCNHRSUUHXKRQR-UHFFFAOYSA-N -1 0 356.426 2.285 50 0 FEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)CCc2ccco2)CC1 ZINC000072473428 541818882 /nfs/dbraw/zinc/81/88/82/541818882.db2.gz CKEZLJJGOZQBMZ-UHFFFAOYSA-N -1 0 358.394 2.440 50 0 FEAARM COc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000000953563 203965918 /nfs/dbraw/zinc/96/59/18/203965918.db2.gz OZNOLZBABTUUMX-UHFFFAOYSA-N -1 0 351.380 2.241 50 0 FEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000817092 203954125 /nfs/dbraw/zinc/95/41/25/203954125.db2.gz PRAMPZRHFOGTSD-UHFFFAOYSA-N -1 0 363.391 2.435 50 0 FEAARM COc1cc(C(=O)Nc2cnn(CCCC(=O)[O-])c2)cc(OC)c1OC ZINC000001430640 204006912 /nfs/dbraw/zinc/00/69/12/204006912.db2.gz HAXGKAJJYLILSL-UHFFFAOYSA-N -1 0 363.370 2.026 50 0 FEAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002099057 204025693 /nfs/dbraw/zinc/02/56/93/204025693.db2.gz UMCAGIBYYQWPFC-LBPRGKRZSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM COc1ccccc1N1C(=O)C[C@@H](Nc2cc(C(=O)[O-])ccc2C)C1=O ZINC000002662415 204050043 /nfs/dbraw/zinc/05/00/43/204050043.db2.gz KTFHFFGAXPBKIY-CQSZACIVSA-N -1 0 354.362 2.446 50 0 FEAARM CN1C2=C(C(=O)N(c3ccc(C(=O)[O-])cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004726759 204158882 /nfs/dbraw/zinc/15/88/82/204158882.db2.gz DZSHSMBBXRFJRE-QGZVFWFLSA-N -1 0 363.373 2.382 50 0 FEAARM O=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000004507408 204142530 /nfs/dbraw/zinc/14/25/30/204142530.db2.gz KWIVRQHBCYQKAN-RAXLEYEMSA-N -1 0 362.769 2.295 50 0 FEAARM COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)NCc3ccccc3)C2)cc1 ZINC000005346321 204204766 /nfs/dbraw/zinc/20/47/66/204204766.db2.gz UARJABKGMFWJDQ-FQEVSTJZSA-N -1 0 368.389 2.350 50 0 FEAARM O=C(NC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006471648 204249352 /nfs/dbraw/zinc/24/93/52/204249352.db2.gz ZXIXVPSNVVNEES-CQSZACIVSA-N -1 0 366.464 2.458 50 0 FEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859665 204277443 /nfs/dbraw/zinc/27/74/43/204277443.db2.gz ZALADGZYGWYOKW-UHFFFAOYSA-N -1 0 365.436 2.182 50 0 FEAARM Cc1cc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2c(C)cc(=O)oc2c1 ZINC000009134274 204355938 /nfs/dbraw/zinc/35/59/38/204355938.db2.gz ZALVIOXCKVLTLF-CYBMUJFWSA-N -1 0 359.378 2.112 50 0 FEAARM COc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)c1 ZINC000009592112 204375579 /nfs/dbraw/zinc/37/55/79/204375579.db2.gz ZBLBZYHTYKXPIA-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000008720299 204341720 /nfs/dbraw/zinc/34/17/20/204341720.db2.gz IUEASCODNFWWHT-UHFFFAOYSA-N -1 0 362.407 2.000 50 0 FEAARM CC(C)Cn1c2nnc(-c3ccc(Cl)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000010964129 204403365 /nfs/dbraw/zinc/40/33/65/204403365.db2.gz NHGCKHLXGUFXNY-UHFFFAOYSA-N -1 0 372.816 2.460 50 0 FEAARM COc1ccc(Cc2nnc(Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1 ZINC000010257257 204393298 /nfs/dbraw/zinc/39/32/98/204393298.db2.gz VWRBMWBPYNIVLU-UHFFFAOYSA-N -1 0 366.377 2.279 50 0 FEAARM O=C([O-])c1ccccc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012937122 204511492 /nfs/dbraw/zinc/51/14/92/204511492.db2.gz QMJFOXPBJWEMBT-UHFFFAOYSA-N -1 0 374.418 2.055 50 0 FEAARM CC[C@H](C)NC(=O)Cn1c([O-])nc2c(-c3ccc(F)cc3)c[nH]c2c1=O ZINC000033038042 204953995 /nfs/dbraw/zinc/95/39/95/204953995.db2.gz DDOYSWNFDPYWOM-JTQLQIEISA-N -1 0 358.373 2.151 50 0 FEAARM Cc1nn2c(ncc3c(=O)n(CC(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040396958 205069203 /nfs/dbraw/zinc/06/92/03/205069203.db2.gz YUJWFRCUZDRCGX-UHFFFAOYSA-N -1 0 352.325 2.243 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc3c(c2)OCO3)s1 ZINC000042318087 205095561 /nfs/dbraw/zinc/09/55/61/205095561.db2.gz QMXWMTGWYIZPEA-GQCTYLIASA-N -1 0 351.405 2.304 50 0 FEAARM COc1ccc(-c2noc(CCCC(=O)N3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000299745657 205126960 /nfs/dbraw/zinc/12/69/60/205126960.db2.gz RQRLFVIHMLAPMA-IBGZPJMESA-N -1 0 373.409 2.391 50 0 FEAARM Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2)c(C)c1Cl ZINC000299752867 205134116 /nfs/dbraw/zinc/13/41/16/205134116.db2.gz VUVXINXUKSOPDG-AWEZNQCLSA-N -1 0 363.801 2.068 50 0 FEAARM O=C([O-])[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccccc1 ZINC000299753547 205136093 /nfs/dbraw/zinc/13/60/93/205136093.db2.gz YNOZYKXLRUJCHM-OAHLLOKOSA-N -1 0 373.796 2.425 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(F)cc1 ZINC000057119372 205235022 /nfs/dbraw/zinc/23/50/22/205235022.db2.gz MDWFIAUKDUFKNE-UHFFFAOYSA-N -1 0 353.371 2.287 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc2c1OCCO2 ZINC000057115832 205236044 /nfs/dbraw/zinc/23/60/44/205236044.db2.gz AFTQENKOJNJRIJ-UHFFFAOYSA-N -1 0 371.317 2.235 50 0 FEAARM Cc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000058377278 205272456 /nfs/dbraw/zinc/27/24/56/205272456.db2.gz YSRSEMWANJARGB-UHFFFAOYSA-N -1 0 353.371 2.423 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1 ZINC000064775623 205303927 /nfs/dbraw/zinc/30/39/27/205303927.db2.gz KPCHJLCKYVPZHW-UHFFFAOYSA-N -1 0 353.787 2.319 50 0 FEAARM O=c1ccc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)n[nH]1 ZINC000065119305 205318625 /nfs/dbraw/zinc/31/86/25/205318625.db2.gz JRWJGMQKWNEUCF-UHFFFAOYSA-N -1 0 351.384 2.438 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000082135113 205646442 /nfs/dbraw/zinc/64/64/42/205646442.db2.gz OEENXIOVZAFTIM-KRWDZBQOSA-N -1 0 358.438 2.231 50 0 FEAARM Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000098054806 205932577 /nfs/dbraw/zinc/93/25/77/205932577.db2.gz URZXLJUZLGKAAB-YVMONPNESA-N -1 0 359.403 2.285 50 0 FEAARM Cc1nn(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)c(C)c1Cl ZINC000237660390 206108223 /nfs/dbraw/zinc/10/82/23/206108223.db2.gz IRWIEHDEKIPXGY-AWEZNQCLSA-N -1 0 363.801 2.068 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCO1 ZINC000238123362 206113871 /nfs/dbraw/zinc/11/38/71/206113871.db2.gz LFGKQUFANXPCFM-CQSZACIVSA-N -1 0 364.785 2.240 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000238032586 206114041 /nfs/dbraw/zinc/11/40/41/206114041.db2.gz BASPLJHTBUAMKY-GOSISDBHSA-N -1 0 362.385 2.040 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000238021565 206112090 /nfs/dbraw/zinc/11/20/90/206112090.db2.gz ARBCUNVKACDWGZ-CYBMUJFWSA-N -1 0 360.389 2.183 50 0 FEAARM O=C([O-])[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 ZINC000238038323 206112461 /nfs/dbraw/zinc/11/24/61/206112461.db2.gz FWOLBLRWOHVOKD-CYBMUJFWSA-N -1 0 360.801 2.286 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000136153128 206130230 /nfs/dbraw/zinc/13/02/30/206130230.db2.gz ZAIVLXZWIBFLOI-QZTJIDSGSA-N -1 0 366.417 2.481 50 0 FEAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000002158039 206152561 /nfs/dbraw/zinc/15/25/61/206152561.db2.gz NSTZDWNJRDSQJA-GOSISDBHSA-N -1 0 367.357 2.292 50 0 biogenic FEAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002158148 206152596 /nfs/dbraw/zinc/15/25/96/206152596.db2.gz PYBJBBDDKVNUQD-ABKXIKBNSA-N -1 0 361.394 2.273 50 0 biogenic FEAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-])OC(C)(C)CC3 ZINC000006623930 206201595 /nfs/dbraw/zinc/20/15/95/206201595.db2.gz JXPDRYDJIBCYMN-NSHDSACASA-N -1 0 373.405 2.337 50 0 FEAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155913187 206222229 /nfs/dbraw/zinc/22/22/29/206222229.db2.gz PLJSNSJXZVUGOM-UFBFGSQYSA-N -1 0 359.209 2.278 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1COc2ccccc21 ZINC000158776338 206221820 /nfs/dbraw/zinc/22/18/20/206221820.db2.gz ICAIODBHFXYSEX-LLVKDONJSA-N -1 0 372.324 2.082 50 0 FEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CCc1ccco1 ZINC000013089630 206300375 /nfs/dbraw/zinc/30/03/75/206300375.db2.gz ABKIAKTXNXVOLQ-LLVKDONJSA-N -1 0 353.396 2.286 50 0 FEAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458939 206377423 /nfs/dbraw/zinc/37/74/23/206377423.db2.gz JQJMZLWGDMNSTD-AWEZNQCLSA-N -1 0 361.446 2.281 50 0 FEAARM COc1ccc(F)cc1[C@H](NC(=O)CCc1cc(=O)[n-]o1)[C@H]1C[C@@H](O)C1 ZINC000219290191 206381293 /nfs/dbraw/zinc/38/12/93/206381293.db2.gz YWCURCAFRJSQQY-AJLCLMPTSA-N -1 0 364.373 2.089 50 0 FEAARM COc1ccccc1OC1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000244874632 206558996 /nfs/dbraw/zinc/55/89/96/206558996.db2.gz XERRLCPWZNHCMK-UHFFFAOYSA-N -1 0 356.378 2.095 50 0 FEAARM COC(=O)c1[n-]c(=NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1C(C)C ZINC000079501381 542523626 /nfs/dbraw/zinc/52/36/26/542523626.db2.gz MMNRKBTWSMEOSK-LBPRGKRZSA-N -1 0 373.434 2.866 50 0 FEAARM 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CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000253496532 549690223 /nfs/dbraw/zinc/69/02/23/549690223.db2.gz LNWJJTZAJNDDPU-LLVKDONJSA-N -1 0 357.318 2.103 50 0 FEAARM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262404878 549817196 /nfs/dbraw/zinc/81/71/96/549817196.db2.gz IBPQOUGTYYOJNQ-MRXNPFEDSA-N -1 0 361.442 2.079 50 0 FEAARM COc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262900671 549860397 /nfs/dbraw/zinc/86/03/97/549860397.db2.gz BHOLKCVYFSUMSR-KRWDZBQOSA-N -1 0 356.378 2.364 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C1 ZINC000262940523 549864305 /nfs/dbraw/zinc/86/43/05/549864305.db2.gz CEQOUPCVZSOWQI-ROUUACIJSA-N -1 0 372.465 2.324 50 0 FEAARM O=C([O-])c1ccc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000263574989 549910758 /nfs/dbraw/zinc/91/07/58/549910758.db2.gz OGPNKLLEBDKWSM-UHFFFAOYSA-N -1 0 372.396 2.247 50 0 FEAARM Cc1cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(Br)s1 ZINC000299165109 553523956 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CN1CCCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065258729 541231406 /nfs/dbraw/zinc/23/14/06/541231406.db2.gz PRCXKWNKTSQLEV-UHFFFAOYSA-N -1 0 355.366 2.043 50 0 FEAARM COc1ccc(O)c(C(=O)N2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)c1 ZINC000067946641 541531853 /nfs/dbraw/zinc/53/18/53/541531853.db2.gz HSSFVKZKPJVVJH-UHFFFAOYSA-N -1 0 373.409 2.150 50 0 FEAARM COCC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284102 541765916 /nfs/dbraw/zinc/76/59/16/541765916.db2.gz WPBKAIVPKRLXPC-CHWSQXEVSA-N -1 0 354.790 2.220 50 0 FEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc3c(c2)OCO3)c1 ZINC000071746866 541769547 /nfs/dbraw/zinc/76/95/47/541769547.db2.gz OSNITTJXKHWCIJ-UHFFFAOYSA-N -1 0 363.391 2.467 50 0 FEAARM Cc1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071761428 541771460 /nfs/dbraw/zinc/77/14/60/541771460.db2.gz LJWZIGQGEADTMV-UHFFFAOYSA-N -1 0 361.419 2.381 50 0 FEAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)CCn3ccnc3)CC2)c1 ZINC000072423956 541810134 /nfs/dbraw/zinc/81/01/34/541810134.db2.gz NTXYFCVIKDGHMN-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)c2ccncc2)CC1 ZINC000072422986 541810280 /nfs/dbraw/zinc/81/02/80/541810280.db2.gz SPVKRVNVWNBDSL-UHFFFAOYSA-N -1 0 366.377 2.254 50 0 FEAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CSc1ccc(Cl)cc1 ZINC000072438526 541815293 /nfs/dbraw/zinc/81/52/93/541815293.db2.gz FCSCJCDGBYEIGK-CQSZACIVSA-N -1 0 351.815 2.366 50 0 FEAARM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)o1 ZINC000096179232 203926028 /nfs/dbraw/zinc/92/60/28/203926028.db2.gz OYRBEUCCPNMOCL-YVMONPNESA-N -1 0 363.391 2.268 50 0 FEAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H](C)O1 ZINC000001431533 204007132 /nfs/dbraw/zinc/00/71/32/204007132.db2.gz QJIWUZAKCHMZMA-OCAPTIKFSA-N -1 0 368.238 2.490 50 0 FEAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)cc2oc1=O ZINC000002092285 204026060 /nfs/dbraw/zinc/02/60/60/204026060.db2.gz QQTMBJGUWXTVJY-WBMJQRKESA-N -1 0 361.394 2.403 50 0 biogenic FEAARM Cc1cc(=NNC(=S)[S-])nc(N[C@H](O)C(Cl)(Cl)Cl)[nH]1 ZINC000002361638 204034882 /nfs/dbraw/zinc/03/48/82/204034882.db2.gz RZKQKGVKRWQUHL-RXMQYKEDSA-N -1 0 362.695 2.017 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000002381623 204036064 /nfs/dbraw/zinc/03/60/64/204036064.db2.gz MKXMXZZARNRMMQ-CQSZACIVSA-N -1 0 364.398 2.329 50 0 FEAARM O=C([O-])CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002671231 204050985 /nfs/dbraw/zinc/05/09/85/204050985.db2.gz AZDLBXJBXMBCGW-XNTDXEJSSA-N -1 0 358.781 2.312 50 0 FEAARM Cc1nn(C)c(C)c1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002778060 204057661 /nfs/dbraw/zinc/05/76/61/204057661.db2.gz JNKWAMIAQYSBGI-UHFFFAOYSA-N -1 0 371.466 2.379 50 0 FEAARM COC(=O)c1ccc(C)c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000004757080 204161796 /nfs/dbraw/zinc/16/17/96/204161796.db2.gz AIQIALOOIOUPIV-UHFFFAOYSA-N -1 0 362.407 2.405 50 0 FEAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000004760496 204161849 /nfs/dbraw/zinc/16/18/49/204161849.db2.gz YCYXUKRYYSXSLJ-CVEARBPZSA-N -1 0 362.426 2.403 50 0 FEAARM CCn1cc(C(=O)NCCCCCC(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC000006645564 204258822 /nfs/dbraw/zinc/25/88/22/204258822.db2.gz LEMZIFZTPWXQGL-UHFFFAOYSA-N -1 0 374.393 2.125 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1C ZINC000006418385 204248505 /nfs/dbraw/zinc/24/85/05/204248505.db2.gz GVOQVVHVIGRDCP-MRXNPFEDSA-N -1 0 361.394 2.186 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1 ZINC000006784723 204270552 /nfs/dbraw/zinc/27/05/52/204270552.db2.gz MSZREQOCXPTYBR-UHFFFAOYSA-N -1 0 365.436 2.182 50 0 FEAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NC1CCCCC1 ZINC000008381982 204330122 /nfs/dbraw/zinc/33/01/22/204330122.db2.gz RSPBALXCEINKCZ-AWEZNQCLSA-N -1 0 356.451 2.193 50 0 FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc12 ZINC000009531182 204373618 /nfs/dbraw/zinc/37/36/18/204373618.db2.gz VGJRXSNFVOXFSD-ZDUSSCGKSA-N -1 0 373.405 2.371 50 0 FEAARM COC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012520915 204469543 /nfs/dbraw/zinc/46/95/43/204469543.db2.gz PVLGDMVEEXNJMD-GFCCVEGCSA-N -1 0 366.414 2.391 50 0 FEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCOCc1ccccc1 ZINC000024865366 204827322 /nfs/dbraw/zinc/82/73/22/204827322.db2.gz DVBLUEQMYARUQY-UHFFFAOYSA-N -1 0 362.451 2.395 50 0 FEAARM COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)cc2)o1 ZINC000036612344 205017598 /nfs/dbraw/zinc/01/75/98/205017598.db2.gz QCTNMYCHYJTWCU-UKRRQHHQSA-N -1 0 363.391 2.433 50 0 FEAARM CCc1nn2c(nnc3c2ccn([C@@H](C)C(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040388382 205068171 /nfs/dbraw/zinc/06/81/71/205068171.db2.gz ZPCMLAGSWUTOSQ-NSHDSACASA-N -1 0 363.377 2.314 50 0 FEAARM COc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc2c1OCCO2 ZINC000299383902 205094085 /nfs/dbraw/zinc/09/40/85/205094085.db2.gz XLTUPGWPZURJRC-XBFCOCLRSA-N -1 0 361.394 2.324 50 0 FEAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1ccnc(C)n1)CC2 ZINC000299740054 205117457 /nfs/dbraw/zinc/11/74/57/205117457.db2.gz VBEXQSCUHBGUHD-HNNXBMFYSA-N -1 0 371.393 2.017 50 0 FEAARM COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)C2 ZINC000299748946 205129471 /nfs/dbraw/zinc/12/94/71/205129471.db2.gz IOWZYNAUQFLLEA-HNNXBMFYSA-N -1 0 371.389 2.026 50 0 FEAARM CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000299741168 205123545 /nfs/dbraw/zinc/12/35/45/205123545.db2.gz DGTINMBTGROKBF-UKRRQHHQSA-N -1 0 359.488 2.082 50 0 FEAARM Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299743457 205124803 /nfs/dbraw/zinc/12/48/03/205124803.db2.gz NNQOUNRLRPTPBB-LBPRGKRZSA-N -1 0 370.434 2.401 50 0 FEAARM NC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000299742458 205125297 /nfs/dbraw/zinc/12/52/97/205125297.db2.gz JJCPKYOUIYAJBV-AWEZNQCLSA-N -1 0 354.362 2.125 50 0 FEAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1c1cccc(Cl)c1 ZINC000299743894 205125545 /nfs/dbraw/zinc/12/55/45/205125545.db2.gz PYFNTZWEYUVEEQ-INWMFGNUSA-N -1 0 364.829 2.183 50 0 FEAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000299747868 205126184 /nfs/dbraw/zinc/12/61/84/205126184.db2.gz FKVSZYUZDNVFON-OAHLLOKOSA-N -1 0 371.418 2.422 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000299752900 205134816 /nfs/dbraw/zinc/13/48/16/205134816.db2.gz VYDPEIBBVZOALO-LLVKDONJSA-N -1 0 352.799 2.389 50 0 FEAARM COc1cc(CCNC(=O)c2ccccc2NCC(=O)[O-])cc(OC)c1 ZINC000055343458 205216507 /nfs/dbraw/zinc/21/65/07/205216507.db2.gz FNRPMICJSGPPQO-UHFFFAOYSA-N -1 0 358.394 2.173 50 0 FEAARM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1ccccc1OC ZINC000065183874 205321539 /nfs/dbraw/zinc/32/15/39/205321539.db2.gz JTBCSGWUAWYQEJ-UHFFFAOYSA-N -1 0 352.441 2.471 50 0 FEAARM CN(Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)Cc1nc(C2CC2)no1 ZINC000067695978 205383681 /nfs/dbraw/zinc/38/36/81/205383681.db2.gz ZKIQCDOBJFIFBD-UHFFFAOYSA-N -1 0 355.354 2.327 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CCc3ccccc3C1)C2 ZINC000072417834 205534747 /nfs/dbraw/zinc/53/47/47/205534747.db2.gz IDHMYFHGFLZHIK-KRWDZBQOSA-N -1 0 367.449 2.438 50 0 FEAARM COc1cccc(NC(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072429885 205544583 /nfs/dbraw/zinc/54/45/83/205544583.db2.gz CWDDZZCALPPJGT-UHFFFAOYSA-N -1 0 358.398 2.347 50 0 FEAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1F)CC2 ZINC000091943377 205704715 /nfs/dbraw/zinc/70/47/15/205704715.db2.gz LNLBJWIMLZZVSO-UHFFFAOYSA-N -1 0 363.389 2.147 50 0 FEAARM COC(=O)CSc1nnc([N-]c2nc3c(s2)c(C)nn3C)s1 ZINC000096151320 205837653 /nfs/dbraw/zinc/83/76/53/205837653.db2.gz AVZHZSXEOMJOOG-UHFFFAOYSA-N -1 0 356.458 2.198 50 0 FEAARM O=C(c1snc2c1nc([O-])n(Cc1ccccc1)c2=O)N1CCCCC1 ZINC000096396738 205873806 /nfs/dbraw/zinc/87/38/06/205873806.db2.gz QJXGFMBCOOQNDX-UHFFFAOYSA-N -1 0 370.434 2.233 50 0 FEAARM CCCCN(C)C(=O)c1snc2c1nc([O-])n(Cc1ccccc1)c2=O ZINC000096396741 205874143 /nfs/dbraw/zinc/87/41/43/205874143.db2.gz BHVAHDZRDUUOML-UHFFFAOYSA-N -1 0 372.450 2.479 50 0 FEAARM CCN(CC(=O)[O-])C(=O)C1(c2cccc(Br)c2)CCOCC1 ZINC000236924720 206001691 /nfs/dbraw/zinc/00/16/91/206001691.db2.gz RTIIUOBXNNEFQA-UHFFFAOYSA-N -1 0 370.243 2.430 50 0 FEAARM CCc1[nH]nc(S(=O)(=O)[N-]c2ccc(SC)cc2)c1C(=O)OC ZINC000048991580 206083805 /nfs/dbraw/zinc/08/38/05/206083805.db2.gz KAHUOUNFDYBOLL-UHFFFAOYSA-N -1 0 355.441 2.281 50 0 FEAARM Cc1cc(Br)ccc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237544386 206105438 /nfs/dbraw/zinc/10/54/38/206105438.db2.gz ZGZBVCGTVMBQQU-UHFFFAOYSA-N -1 0 356.216 2.463 50 0 FEAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C(=O)[O-])c1 ZINC000237692085 206107967 /nfs/dbraw/zinc/10/79/67/206107967.db2.gz SXEWSCUHLUDMIO-NVXWUHKLSA-N -1 0 366.417 2.481 50 0 FEAARM Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC000237639091 206108296 /nfs/dbraw/zinc/10/82/96/206108296.db2.gz XNUKPZXWQPSFCO-DOTOQJQBSA-N -1 0 358.438 2.451 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCO1 ZINC000238057018 206113058 /nfs/dbraw/zinc/11/30/58/206113058.db2.gz JHKSCHLXHYBVEU-VIFPVBQESA-N -1 0 367.199 2.246 50 0 FEAARM O=C([O-])CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000238101210 206113911 /nfs/dbraw/zinc/11/39/11/206113911.db2.gz QANGQGSAVSAUBW-UHFFFAOYSA-N -1 0 362.357 2.115 50 0 FEAARM COCCC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CCC1 ZINC000123875220 206115042 /nfs/dbraw/zinc/11/50/42/206115042.db2.gz DRRUCIIIRBAREZ-UHFFFAOYSA-N -1 0 361.467 2.159 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000238195116 206115625 /nfs/dbraw/zinc/11/56/25/206115625.db2.gz YYWZUZTZXKXGNR-CYBMUJFWSA-N -1 0 368.227 2.183 50 0 FEAARM O=S(=O)([N-]c1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000005328927 206194116 /nfs/dbraw/zinc/19/41/16/206194116.db2.gz VIGDNGFXLQJUHV-UHFFFAOYSA-N -1 0 358.466 2.089 50 0 FEAARM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000159582109 206223215 /nfs/dbraw/zinc/22/32/15/206223215.db2.gz OWOLHVCCDHLDGN-GFCCVEGCSA-N -1 0 359.451 2.433 50 0 FEAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000165604315 206243538 /nfs/dbraw/zinc/24/35/38/206243538.db2.gz BMENLVZRBBBACL-WDEREUQCSA-N -1 0 371.359 2.232 50 0 FEAARM Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000005883465 206240247 /nfs/dbraw/zinc/24/02/47/206240247.db2.gz NMWKRWSBUBMJLJ-UHFFFAOYSA-N -1 0 372.443 2.185 50 0 FEAARM CCC(CC)(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(=O)[O-] ZINC000010171002 206254862 /nfs/dbraw/zinc/25/48/62/206254862.db2.gz XFSHXJRTFFEYHV-UHFFFAOYSA-N -1 0 356.444 2.170 50 0 FEAARM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000170654713 206278342 /nfs/dbraw/zinc/27/83/42/206278342.db2.gz JUVZDDDCPHCOHW-AWEZNQCLSA-N -1 0 352.412 2.262 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)NCC(C)(C)C[C@H](C)O)cc2[n-]c1=S ZINC000170644734 206278532 /nfs/dbraw/zinc/27/85/32/206278532.db2.gz SVIGVFQIAFETCL-NSHDSACASA-N -1 0 363.483 2.232 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012816199 206296497 /nfs/dbraw/zinc/29/64/97/206296497.db2.gz UGKUWEFKJJEJQC-UHFFFAOYSA-N -1 0 353.327 2.111 50 0 FEAARM Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)n1 ZINC000219302181 206382961 /nfs/dbraw/zinc/38/29/61/206382961.db2.gz SJASEMICGYRJKB-NVXWUHKLSA-N -1 0 356.378 2.055 50 0 FEAARM CC(=O)Nc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000023053300 206398987 /nfs/dbraw/zinc/39/89/87/206398987.db2.gz SDXDJGZSHSBWDT-UHFFFAOYSA-N -1 0 352.343 2.283 50 0 FEAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccsc2)cc1 ZINC000222679310 206421640 /nfs/dbraw/zinc/42/16/40/206421640.db2.gz ZPZHRRMMFJYUQE-HZPDHXFCSA-N -1 0 361.419 2.342 50 0 FEAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cn2)c[nH]1 ZINC000078967462 542491445 /nfs/dbraw/zinc/49/14/45/542491445.db2.gz ZWFJORONRWVNBX-UHFFFAOYSA-N -1 0 374.216 2.150 50 0 FEAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)C(C)(C)c1ccccc1)CC2 ZINC000082126191 542685166 /nfs/dbraw/zinc/68/51/66/542685166.db2.gz SOZAPNGVCKLHDH-QGZVFWFLSA-N -1 0 372.465 2.278 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000082133502 542685825 /nfs/dbraw/zinc/68/58/25/542685825.db2.gz XYQXXHMXWYYMMS-INIZCTEOSA-N -1 0 362.401 2.062 50 0 FEAARM O=C([O-])[C@H](c1ccc(OCC2CC2)cc1)N1CCN(c2cnccn2)CC1 ZINC000095366299 132208290 /nfs/dbraw/zinc/20/82/90/132208290.db2.gz CJSJBEDBZZVGDV-IBGZPJMESA-N -1 0 368.437 2.213 50 0 FEAARM Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091254800 542803127 /nfs/dbraw/zinc/80/31/27/542803127.db2.gz UACSPZXDLUATGL-OAHLLOKOSA-N -1 0 368.393 2.325 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1cccnc1 ZINC000091617072 542815661 /nfs/dbraw/zinc/81/56/61/542815661.db2.gz USRLLXFSECAYCV-UONOGXRCSA-N -1 0 355.350 2.142 50 0 FEAARM Cc1ccc(CN2CCN(c3nc(C)ccc3C(=O)[O-])C[C@H]2CCO)o1 ZINC000072425789 136146443 /nfs/dbraw/zinc/14/64/43/136146443.db2.gz WMNCHNGNKRILAG-OAHLLOKOSA-N -1 0 359.426 2.063 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(c2ncc(F)cn2)CC1 ZINC000072481004 136149651 /nfs/dbraw/zinc/14/96/51/136149651.db2.gz KNFJYHJATGXCND-UHFFFAOYSA-N -1 0 357.345 2.153 50 0 FEAARM COc1ccc([C@H](C(=O)[O-])N2CCN(C3CCCC3)C(=O)C2)cc1F ZINC000095363082 542959681 /nfs/dbraw/zinc/95/96/81/542959681.db2.gz YMTOEECJCVENPS-QGZVFWFLSA-N -1 0 350.390 2.047 50 0 FEAARM CN(Cc1cnccn1)[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCC2)cc1 ZINC000095360308 542960050 /nfs/dbraw/zinc/96/00/50/542960050.db2.gz APKFCFYNSVBYEV-KRWDZBQOSA-N -1 0 369.425 2.362 50 0 FEAARM Cc1noc(CCCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC000095424680 542969133 /nfs/dbraw/zinc/96/91/33/542969133.db2.gz DMWMSUJFGYMGQL-UHFFFAOYSA-N -1 0 367.352 2.482 50 0 FEAARM O=C([O-])c1ccn(-c2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000095970053 542984722 /nfs/dbraw/zinc/98/47/22/542984722.db2.gz WZOWDZLVWHWEAK-KRWDZBQOSA-N -1 0 365.345 2.349 50 0 FEAARM CCn1ccnc1C1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC000095521950 542979991 /nfs/dbraw/zinc/97/99/91/542979991.db2.gz FKWNYGGAINEUKG-UHFFFAOYSA-N -1 0 365.437 2.402 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)cn1 ZINC000096098431 542991116 /nfs/dbraw/zinc/99/11/16/542991116.db2.gz UEXOSSIOOJIUJC-UHFFFAOYSA-N -1 0 372.406 2.017 50 0 FEAARM COC(=O)C[C@H](c1cccnc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096117150 542991985 /nfs/dbraw/zinc/99/19/85/542991985.db2.gz LCZFHJLPCFJPAP-GFCCVEGCSA-N -1 0 359.769 2.144 50 0 FEAARM COc1ccc(-c2ccc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])o2)cc1 ZINC000096133559 542992544 /nfs/dbraw/zinc/99/25/44/542992544.db2.gz YSWLXZRJOLGFOU-OAHLLOKOSA-N -1 0 367.361 2.330 50 0 FEAARM CC(=O)N[C@@H](C)c1nc(Cc2c(Cl)cccc2Cl)nn1CC(=O)[O-] ZINC000097546522 543012862 /nfs/dbraw/zinc/01/28/62/543012862.db2.gz KGPIPLAYCNBQJM-QMMMGPOBSA-N -1 0 371.224 2.457 50 0 FEAARM O=C(/C=C\c1cccs1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000098054803 543019679 /nfs/dbraw/zinc/01/96/79/543019679.db2.gz AQZZOTNCJJAVMK-UTCJRWHESA-N -1 0 351.405 2.038 50 0 FEAARM COc1cccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(NC(C)=O)cc2)c1 ZINC000098055547 543019405 /nfs/dbraw/zinc/01/94/05/543019405.db2.gz LUGUMGGBRSESOF-FLIBITNWSA-N -1 0 374.418 2.172 50 0 FEAARM O=C1O[C@H](c2c([O-])[nH]c(=O)n(-c3ccccc3Cl)c2=O)c2ccccc21 ZINC000101376238 543027124 /nfs/dbraw/zinc/02/71/24/543027124.db2.gz YQYBXCYUMXUXFO-AWEZNQCLSA-N -1 0 370.748 2.145 50 0 FEAARM Cc1cc2ncc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c(=O)n2[n-]1 ZINC000102489691 543071413 /nfs/dbraw/zinc/07/14/13/543071413.db2.gz RETWOUQBTGZNLH-HNNXBMFYSA-N -1 0 372.812 2.198 50 0 FEAARM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237282484 328510915 /nfs/dbraw/zinc/51/09/15/328510915.db2.gz UFDVZWSRUPLCAY-MRXNPFEDSA-N -1 0 356.353 2.401 50 0 FEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000262186959 328849440 /nfs/dbraw/zinc/84/94/40/328849440.db2.gz ROTPVRWTWLDDRD-QGZVFWFLSA-N -1 0 360.391 2.476 50 0 FEAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000262194591 328850019 /nfs/dbraw/zinc/85/00/19/328850019.db2.gz ZCGDGIXJAACEFM-HNNXBMFYSA-N -1 0 358.398 2.052 50 0 FEAARM Cc1c(Cl)cccc1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262744893 328886079 /nfs/dbraw/zinc/88/60/79/328886079.db2.gz ALIFCNICUULZJW-UHFFFAOYSA-N -1 0 352.818 2.044 50 0 FEAARM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000263552404 328946888 /nfs/dbraw/zinc/94/68/88/328946888.db2.gz LUKADMHVIARADQ-ZCFIWIBFSA-N -1 0 367.570 2.282 50 0 FEAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCC(=O)c2cc(C)sc2C)C1 ZINC000263175164 328922299 /nfs/dbraw/zinc/92/22/99/328922299.db2.gz WNWYGBZMWOVTAD-STQMWFEESA-N -1 0 353.440 2.418 50 0 FEAARM CNC(=O)c1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000263302284 328931609 /nfs/dbraw/zinc/93/16/09/328931609.db2.gz ZRZKCALPLONUQO-KRWDZBQOSA-N -1 0 372.396 2.450 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1OCC(=O)[O-] ZINC000268950034 520666064 /nfs/dbraw/zinc/66/60/64/520666064.db2.gz PEZLIHMGAJZSDH-CSMYWGQOSA-N -1 0 363.410 2.092 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000299741761 523699400 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370.405 2.293 50 0 FEAARM O=C([O-])C1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000154825962 527552530 /nfs/dbraw/zinc/55/25/30/527552530.db2.gz XWJIWOXERKKOTF-GFCCVEGCSA-N -1 0 354.200 2.214 50 0 FEAARM O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)[O-])CCCCC1 ZINC000229198495 548756056 /nfs/dbraw/zinc/75/60/56/548756056.db2.gz HYNFBRQZHSZLQG-WDZFZDKYSA-N -1 0 356.422 2.496 50 0 FEAARM CC(C)(C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC000236692637 548773743 /nfs/dbraw/zinc/77/37/43/548773743.db2.gz KAPMAOVGWWOURG-LBPRGKRZSA-N -1 0 356.216 2.039 50 0 FEAARM O=S(=O)([N-]c1ccccc1)c1ccccc1S(=O)(=O)NCC1CC1 ZINC000241317030 548884985 /nfs/dbraw/zinc/88/49/85/548884985.db2.gz LXGBMMMVJOMSLI-UHFFFAOYSA-N -1 0 366.464 2.176 50 0 FEAARM Cc1nc(NC(=O)CN(C)Cc2cc(C3CC3)on2)sc1C(=O)[O-] ZINC000244882763 548898189 /nfs/dbraw/zinc/89/81/89/548898189.db2.gz XYNGQCOLYIOQQU-UHFFFAOYSA-N -1 0 350.400 2.086 50 0 FEAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000299784365 553614760 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50 0 FEAARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000113699419 570965920 /nfs/dbraw/zinc/96/59/20/570965920.db2.gz STEFCNLLIJDVNI-SECBINFHSA-N -1 0 372.443 2.352 50 0 FEAARM Cc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2n2cc(C3CC3)nn2)c1 ZINC000685942484 571102695 /nfs/dbraw/zinc/10/26/95/571102695.db2.gz UCAWGSJAZQIODA-UXLLHSPISA-N -1 0 354.410 2.298 50 0 FEAARM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(-n2cnnc2)nn1C ZINC000021777725 571144513 /nfs/dbraw/zinc/14/45/13/571144513.db2.gz XHNZZPJRFXCRSS-UHFFFAOYSA-N -1 0 360.443 2.233 50 0 FEAARM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426398061 571219822 /nfs/dbraw/zinc/21/98/22/571219822.db2.gz NVQMEJLFGUQEKB-LBPRGKRZSA-N -1 0 361.423 2.252 50 0 FEAARM Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3n[nH]c(=O)[n-]3)c2c1 ZINC000426429824 571224685 /nfs/dbraw/zinc/22/46/85/571224685.db2.gz OVMIBAILFBQNDQ-UHFFFAOYSA-N -1 0 360.377 2.359 50 0 FEAARM COc1cccc([C@H](NS(=O)(=O)c2cnc(C3CC3)s2)C(=O)[O-])c1 ZINC000585098028 571320462 /nfs/dbraw/zinc/32/04/62/571320462.db2.gz GZAWCGRDDSTJDR-ZDUSSCGKSA-N -1 0 368.436 2.133 50 0 FEAARM O=C([O-])Cc1cccc(NC(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000577164559 597173163 /nfs/dbraw/zinc/17/31/63/597173163.db2.gz JWYOXAGLICZVKG-UHFFFAOYSA-N -1 0 356.382 2.189 50 0 FEAARM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1 ZINC000547589331 597720465 /nfs/dbraw/zinc/72/04/65/597720465.db2.gz ZZCKLUJLEUNSGT-LBPRGKRZSA-N -1 0 350.396 2.217 50 0 FEAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000548197442 600632169 /nfs/dbraw/zinc/63/21/69/600632169.db2.gz ZHHBQHRNEXQIGY-UHFFFAOYSA-N -1 0 365.455 2.300 50 0 FEAARM Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000022205305 670038627 /nfs/dbraw/zinc/03/86/27/670038627.db2.gz ABCFCAKIVMOAGM-CXAGYDPISA-N -1 0 360.435 2.326 50 0 FEAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCc2ncncc2C1 ZINC000649244129 677328127 /nfs/dbraw/zinc/32/81/27/677328127.db2.gz MTMRXHLWYZSJMS-ZDUSSCGKSA-N -1 0 359.813 2.348 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)Nc2nnc(C3CCOCC3)s2)c1 ZINC000669506640 679239531 /nfs/dbraw/zinc/23/95/31/679239531.db2.gz IHZBJDASLDXOSY-UHFFFAOYSA-N -1 0 362.411 2.452 50 0 FEAARM O=C([O-])c1cccnc1N1CCC[C@@H](CNC(=O)Cc2cccs2)C1 ZINC000952989296 681795757 /nfs/dbraw/zinc/79/57/57/681795757.db2.gz VURVONKAUUCGLT-ZDUSSCGKSA-N -1 0 359.451 2.417 50 0 FEAARM COc1ccc(/C=C\C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1OC ZINC000221909974 939042820 /nfs/dbraw/zinc/04/28/20/939042820.db2.gz CSETXDXZMBSIBL-NTMALXAHSA-N -1 0 367.401 2.455 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000634231 539331667 /nfs/dbraw/zinc/33/16/67/539331667.db2.gz FOFHBTNSJUPNON-UHFFFAOYSA-N -1 0 363.391 2.369 50 0 FEAARM Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000668200 539332249 /nfs/dbraw/zinc/33/22/49/539332249.db2.gz YVVUEYBDGLCBJZ-HUUCEWRRSA-N -1 0 357.410 2.314 50 0 FEAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1 ZINC000000931788 539335889 /nfs/dbraw/zinc/33/58/89/539335889.db2.gz VCCFPBSDVCDUCL-OAHLLOKOSA-N -1 0 367.409 2.490 50 0 FEAARM Cc1cnc([N-]S(=O)(=O)c2cccc3nonc32)c(Br)c1 ZINC000001031174 539336977 /nfs/dbraw/zinc/33/69/77/539336977.db2.gz RIUFMGQMXBXOLO-UHFFFAOYSA-N -1 0 369.200 2.490 50 0 FEAARM COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000001072415 539337812 /nfs/dbraw/zinc/33/78/12/539337812.db2.gz NTMHMNFVEOVAHM-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000001165618 539339269 /nfs/dbraw/zinc/33/92/69/539339269.db2.gz NVUUTGOWYOEBGY-UHFFFAOYSA-N -1 0 374.418 2.422 50 0 FEAARM O=C1N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001295765 539340689 /nfs/dbraw/zinc/34/06/89/539340689.db2.gz SMLKJICDHLUSRA-WDMOLILDSA-N -1 0 371.340 2.247 50 0 FEAARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1=O ZINC000002851965 539354908 /nfs/dbraw/zinc/35/49/08/539354908.db2.gz DLNXBAZNHDPGBV-XNTDXEJSSA-N -1 0 350.378 2.406 50 0 FEAARM COc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1C(=O)[O-] ZINC000013393258 539586526 /nfs/dbraw/zinc/58/65/26/539586526.db2.gz AZCUPBUTZIIHOZ-UHFFFAOYSA-N -1 0 357.362 2.485 50 0 FEAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3nccs3)cc2s1 ZINC000013727303 539591593 /nfs/dbraw/zinc/59/15/93/539591593.db2.gz ZYVVZJMPMBVITG-UHFFFAOYSA-N -1 0 354.438 2.377 50 0 FEAARM O=C(Cn1nnc2ccccc21)n1cc(C(=O)c2cc(F)ccc2[O-])cn1 ZINC000014163224 539597281 /nfs/dbraw/zinc/59/72/81/539597281.db2.gz ZVZPLWFMZDXQTM-UHFFFAOYSA-N -1 0 365.324 2.044 50 0 FEAARM O=C(c1cnn(C(=O)[C@H]2COc3ccccc3O2)c1)c1cc(F)ccc1[O-] ZINC000014169886 539597373 /nfs/dbraw/zinc/59/73/73/539597373.db2.gz DHARNUGPKYVBNQ-QGZVFWFLSA-N -1 0 368.320 2.439 50 0 FEAARM CCCC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000020412549 539674156 /nfs/dbraw/zinc/67/41/56/539674156.db2.gz QSEXFRAUXUBYPQ-CYBMUJFWSA-N -1 0 361.394 2.418 50 0 FEAARM O=C(NCc1ccco1)[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000026134479 539778043 /nfs/dbraw/zinc/77/80/43/539778043.db2.gz KJZMYBLKFUXMNL-CYBMUJFWSA-N -1 0 358.423 2.271 50 0 FEAARM COc1n[n-]c(=NC(=O)N2CCN(c3cccc4[nH]ccc43)CC2)s1 ZINC000529083773 539800864 /nfs/dbraw/zinc/80/08/64/539800864.db2.gz ZQOVXVFPKNRETR-UHFFFAOYSA-N -1 0 358.427 2.382 50 0 FEAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030032316 539872798 /nfs/dbraw/zinc/87/27/98/539872798.db2.gz YYWCNOQLRQGLAS-ZUZCIYMTSA-N -1 0 371.418 2.172 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\C(=O)[O-])cc2)cc1 ZINC000033333821 539974606 /nfs/dbraw/zinc/97/46/06/539974606.db2.gz VZHMJEMUGJULJE-KHPPLWFESA-N -1 0 360.391 2.375 50 0 FEAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccc(F)cc1 ZINC000033250000 539973100 /nfs/dbraw/zinc/97/31/00/539973100.db2.gz ALDFPPFAVKWVJI-UHFFFAOYSA-N -1 0 361.398 2.244 50 0 FEAARM COc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1Br ZINC000036974140 539995591 /nfs/dbraw/zinc/99/55/91/539995591.db2.gz OSTULXGHCSZSAO-SECBINFHSA-N -1 0 358.188 2.156 50 0 FEAARM COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1Br ZINC000037435105 539996594 /nfs/dbraw/zinc/99/65/94/539996594.db2.gz DDGBHUXVMUBSBP-LBPRGKRZSA-N -1 0 356.216 2.466 50 0 FEAARM Cc1cc(C(=O)[N-]c2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)no1 ZINC000062022976 541143680 /nfs/dbraw/zinc/14/36/80/541143680.db2.gz VFHJMKDFCQBBQV-LLVKDONJSA-N -1 0 353.338 2.139 50 0 FEAARM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000072122391 541784273 /nfs/dbraw/zinc/78/42/73/541784273.db2.gz KSHBTVROTPRWLN-MRXNPFEDSA-N -1 0 361.419 2.218 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)Cc1ccc(F)cc1Cl)C2 ZINC000072149529 541789082 /nfs/dbraw/zinc/78/90/82/541789082.db2.gz HZAWNJZIFIHTIA-UHFFFAOYSA-N -1 0 365.792 2.278 50 0 FEAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)c2c(F)cccc2F)c1 ZINC000072403817 541805080 /nfs/dbraw/zinc/80/50/80/541805080.db2.gz QFFWTHVKCQBHGT-UHFFFAOYSA-N -1 0 360.320 2.232 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000072418262 541807933 /nfs/dbraw/zinc/80/79/33/541807933.db2.gz VVBDRLAKGJZSGX-UHFFFAOYSA-N -1 0 372.381 2.067 50 0 FEAARM COc1ccccc1OC1(C(=O)[O-])CCN(C(=O)CCSC)CC1 ZINC000072419661 541808425 /nfs/dbraw/zinc/80/84/25/541808425.db2.gz GOBRFNJTNOZLLI-UHFFFAOYSA-N -1 0 353.440 2.273 50 0 FEAARM Cc1cc(C)cc(CSCC(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])c1 ZINC000072448160 541816272 /nfs/dbraw/zinc/81/62/72/541816272.db2.gz SSEDNUVBCURNES-QGZVFWFLSA-N -1 0 359.451 2.470 50 0 FEAARM CCOc1cc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1OC ZINC000328595539 203831287 /nfs/dbraw/zinc/83/12/87/203831287.db2.gz XXFPDWFUCPSDFQ-FNORWQNLSA-N -1 0 363.410 2.199 50 0 FEAARM COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000013393194 203855604 /nfs/dbraw/zinc/85/56/04/203855604.db2.gz AAXZLDGQBXSOJS-UHFFFAOYSA-N -1 0 368.389 2.450 50 0 FEAARM CCC[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002094847 204026092 /nfs/dbraw/zinc/02/60/92/204026092.db2.gz WJFCNNSNZIFICB-CQSZACIVSA-N -1 0 361.394 2.467 50 0 biogenic FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc12 ZINC000002108093 204026514 /nfs/dbraw/zinc/02/65/14/204026514.db2.gz SXMNRLQIXOVXCY-CQSZACIVSA-N -1 0 359.378 2.124 50 0 FEAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000002140317 204027072 /nfs/dbraw/zinc/02/70/72/204027072.db2.gz ZCIDYZZHHPNOOS-HNNXBMFYSA-N -1 0 361.394 2.404 50 0 biogenic FEAARM C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCCC(=O)[O-] ZINC000002235599 204030231 /nfs/dbraw/zinc/03/02/31/204030231.db2.gz QMEINOUPWAWGTO-NSHDSACASA-N -1 0 359.378 2.030 50 0 FEAARM CC(C)Cc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000002314852 204034011 /nfs/dbraw/zinc/03/40/11/204034011.db2.gz GEWJANZJBCIEPJ-UHFFFAOYSA-N -1 0 362.411 2.402 50 0 FEAARM CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000002657858 204050112 /nfs/dbraw/zinc/05/01/12/204050112.db2.gz VKWGFUJHFMMSHD-SECBINFHSA-N -1 0 358.268 2.478 50 0 FEAARM COC(=O)c1ccc(Nc2nnc(Cc3ccc(OC)cc3)c(=O)[n-]2)cc1 ZINC000002718687 204051496 /nfs/dbraw/zinc/05/14/96/204051496.db2.gz FKVIZPJLSKPOLL-UHFFFAOYSA-N -1 0 366.377 2.295 50 0 FEAARM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2n(C)c1=O ZINC000004717561 204157667 /nfs/dbraw/zinc/15/76/67/204157667.db2.gz RYTULZICEFRKNJ-UHFFFAOYSA-N -1 0 357.844 2.393 50 0 FEAARM O=C([O-])[C@H](CSCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000004387899 204136409 /nfs/dbraw/zinc/13/64/09/204136409.db2.gz SECBDBJQAWLGRE-HNNXBMFYSA-N -1 0 369.439 2.491 50 0 FEAARM O=C([O-])CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000004389218 204137175 /nfs/dbraw/zinc/13/71/75/204137175.db2.gz DVTFZMUVZXXYSS-UHFFFAOYSA-N -1 0 370.405 2.373 50 0 FEAARM Cc1cccc(NC(=O)c2n[nH]nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000004499984 204142100 /nfs/dbraw/zinc/14/21/00/204142100.db2.gz XJJLADRKJOWLOU-UHFFFAOYSA-N -1 0 357.395 2.166 50 0 FEAARM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccs1 ZINC000006317177 204245215 /nfs/dbraw/zinc/24/52/15/204245215.db2.gz WXMNCIKCDNGODW-UHFFFAOYSA-N -1 0 372.493 2.333 50 0 FEAARM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1C ZINC000007325450 204295182 /nfs/dbraw/zinc/29/51/82/204295182.db2.gz GZSVCDOERPMLPX-UHFFFAOYSA-N -1 0 369.420 2.431 50 0 FEAARM CC(C)CNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2 ZINC000006758951 204266644 /nfs/dbraw/zinc/26/66/44/204266644.db2.gz OWONZIUKQMOAOX-UHFFFAOYSA-N -1 0 354.428 2.008 50 0 FEAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(NC(C)=O)cc2)C1=O ZINC000009244520 204359533 /nfs/dbraw/zinc/35/95/33/204359533.db2.gz WEBHHJTZEWCGSR-RVDMUPIBSA-N -1 0 358.398 2.209 50 0 FEAARM COCCNc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000009512583 204372108 /nfs/dbraw/zinc/37/21/08/204372108.db2.gz KVHKBYJUVIWCNJ-UHFFFAOYSA-N -1 0 355.470 2.187 50 0 FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc12 ZINC000009531183 204373114 /nfs/dbraw/zinc/37/31/14/204373114.db2.gz VGJRXSNFVOXFSD-CYBMUJFWSA-N -1 0 373.405 2.371 50 0 FEAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)NCc1ccccn1 ZINC000023174987 204799093 /nfs/dbraw/zinc/79/90/93/204799093.db2.gz ZZYCDLMWTBZRSX-UHFFFAOYSA-N -1 0 354.382 2.449 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000299370431 205093327 /nfs/dbraw/zinc/09/33/27/205093327.db2.gz QNSCNSONVHJSLC-PVAVHDDUSA-N -1 0 354.410 2.184 50 0 FEAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[N-]S(C)(=O)=O ZINC000042279494 205094308 /nfs/dbraw/zinc/09/43/08/205094308.db2.gz OWAJRVZWXNJBBW-UHFFFAOYSA-N -1 0 360.844 2.373 50 0 FEAARM CCO[N-]C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000054721483 205203737 /nfs/dbraw/zinc/20/37/37/205203737.db2.gz LQEALAGKSNVZPL-UHFFFAOYSA-N -1 0 353.469 2.164 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000064947097 205310195 /nfs/dbraw/zinc/31/01/95/205310195.db2.gz CNAMLTKPWHXLIT-UHFFFAOYSA-N -1 0 350.421 2.409 50 0 FEAARM COc1cc(C)ccc1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000069525661 205418236 /nfs/dbraw/zinc/41/82/36/205418236.db2.gz QTTVTKHEALGMNB-UHFFFAOYSA-N -1 0 371.361 2.166 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000072151121 205485367 /nfs/dbraw/zinc/48/53/67/205485367.db2.gz PAQMRNJJUZTGQV-UHFFFAOYSA-N -1 0 357.454 2.459 50 0 FEAARM Cc1nc(C(=O)N2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)c(C)o1 ZINC000072477153 205563565 /nfs/dbraw/zinc/56/35/65/205563565.db2.gz KMQXFUSBTKTHLY-UHFFFAOYSA-N -1 0 359.382 2.133 50 0 FEAARM Cc1oc(CN(C)C(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)cc1C(=O)[O-] ZINC000095425063 205755623 /nfs/dbraw/zinc/75/56/23/205755623.db2.gz YHRTZHCTFDISEN-CYBMUJFWSA-N -1 0 350.415 2.139 50 0 FEAARM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c(Br)c1 ZINC000095471815 205763404 /nfs/dbraw/zinc/76/34/04/205763404.db2.gz LOCRLLWVDQZNGS-UHFFFAOYSA-N -1 0 365.183 2.256 50 0 FEAARM Cc1cc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1Br ZINC000237600140 206104802 /nfs/dbraw/zinc/10/48/02/206104802.db2.gz XKQAJNAFHGVRIX-CYBMUJFWSA-N -1 0 370.243 2.392 50 0 FEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)nn1-c1ccccc1 ZINC000237672247 206107095 /nfs/dbraw/zinc/10/70/95/206107095.db2.gz BEFFLMASDKBXKV-UHFFFAOYSA-N -1 0 357.410 2.277 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)CCO1 ZINC000238195499 206115404 /nfs/dbraw/zinc/11/54/04/206115404.db2.gz WLKUNILZMVANGB-OAHLLOKOSA-N -1 0 358.394 2.366 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)c1 ZINC000238216816 206115695 /nfs/dbraw/zinc/11/56/95/206115695.db2.gz KRSNVZYWYRGHTI-INIZCTEOSA-N -1 0 374.343 2.332 50 0 FEAARM Cn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(-c2ccccc2Cl)n1 ZINC000237882413 206109484 /nfs/dbraw/zinc/10/94/84/206109484.db2.gz DJEPZLYKHUODFN-LLVKDONJSA-N -1 0 363.801 2.056 50 0 FEAARM CCN1C(=O)/C(=C/C=C2/Oc3ccccc3N2CCC(=O)[O-])N(C)C1=S ZINC000002569888 206141688 /nfs/dbraw/zinc/14/16/88/206141688.db2.gz RBEISOUFHIQQGI-LHHRFCNSSA-N -1 0 373.434 2.164 50 0 FEAARM CCc1ccc(N2[N-]C(=O)/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000000677792 206131090 /nfs/dbraw/zinc/13/10/90/206131090.db2.gz ACDDCTUWRZWPIN-SFQUDFHCSA-N -1 0 350.374 2.497 50 0 FEAARM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C12CCC2 ZINC000150804503 206148539 /nfs/dbraw/zinc/14/85/39/206148539.db2.gz 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ZINC000603659367 568134374 /nfs/dbraw/zinc/13/43/74/568134374.db2.gz YWYMCUHNMRJXOE-ZDUSSCGKSA-N -1 0 355.394 2.425 50 0 FEAARM Cc1[n-]n(C)c(=O)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000101901949 570824612 /nfs/dbraw/zinc/82/46/12/570824612.db2.gz QVOLFGPLYAKERP-MRXNPFEDSA-N -1 0 356.357 2.093 50 0 FEAARM COCCS(=O)(=O)[N-]C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000111994465 570948840 /nfs/dbraw/zinc/94/88/40/570948840.db2.gz SJODIWLAIDOUPP-UHFFFAOYSA-N -1 0 354.453 2.133 50 0 FEAARM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000084522470 571088365 /nfs/dbraw/zinc/08/83/65/571088365.db2.gz UVZLEABZHMFFFA-INIZCTEOSA-N -1 0 362.376 2.474 50 0 FEAARM Cc1nc(CC(C)C)c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)s1 ZINC000120998291 571191823 /nfs/dbraw/zinc/19/18/23/571191823.db2.gz JPRWAQJNFZHEII-LBPRGKRZSA-N -1 0 360.501 2.279 50 0 FEAARM CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000656647803 604698610 /nfs/dbraw/zinc/69/86/10/604698610.db2.gz YZSUANCLNUCKAK-CQSZACIVSA-N -1 0 363.439 2.306 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCOc3cc(F)ccc32)c[nH]1 ZINC000567794465 605207739 /nfs/dbraw/zinc/20/77/39/605207739.db2.gz XWZBUDNTPDCLFJ-LBPRGKRZSA-N -1 0 354.359 2.044 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000095359401 670759548 /nfs/dbraw/zinc/75/95/48/670759548.db2.gz QHFODNWZZFZUGY-LLVKDONJSA-N -1 0 357.332 2.002 50 0 FEAARM O=C([O-])c1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccn1 ZINC000650769158 677388724 /nfs/dbraw/zinc/38/87/24/677388724.db2.gz PSLMUYOECCNQLH-UHFFFAOYSA-N -1 0 373.360 2.367 50 0 FEAARM COC[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000668302974 679163351 /nfs/dbraw/zinc/16/33/51/679163351.db2.gz VVVSFWSFQOHRPC-QWHCGFSZSA-N -1 0 372.215 2.071 50 0 FEAARM COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000360200 539331524 /nfs/dbraw/zinc/33/15/24/539331524.db2.gz HOKQFDDYBGCKKI-UHFFFAOYSA-N -1 0 350.352 2.364 50 0 FEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CCCO1 ZINC000000804580 539334186 /nfs/dbraw/zinc/33/41/86/539334186.db2.gz BLBVVRHXVCCVEY-GFCCVEGCSA-N -1 0 353.425 2.061 50 0 FEAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000000953442 539336155 /nfs/dbraw/zinc/33/61/55/539336155.db2.gz NJWNKXRKNANWCI-CQSZACIVSA-N -1 0 357.790 2.453 50 0 FEAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCC(=O)[O-] ZINC000002117829 539344789 /nfs/dbraw/zinc/34/47/89/539344789.db2.gz JLBDXTHAWXMJRV-NSHDSACASA-N -1 0 359.378 2.030 50 0 biogenic FEAARM O=C([O-])c1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002095849 539344954 /nfs/dbraw/zinc/34/49/54/539344954.db2.gz KBEFEQMDJBJJLL-OLZOCXBDSA-N -1 0 353.378 2.198 50 0 biogenic FEAARM CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000002135652 539345076 /nfs/dbraw/zinc/34/50/76/539345076.db2.gz SINIWXRQPOLLQC-UHFFFAOYSA-N -1 0 368.440 2.007 50 0 FEAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002152235 539345604 /nfs/dbraw/zinc/34/56/04/539345604.db2.gz NGTMPSSETFGIGO-NWDGAFQWSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCOC(C)C)[nH]c2C[C@@H]1C ZINC000002499385 539348697 /nfs/dbraw/zinc/34/86/97/539348697.db2.gz HNLIFRRBNSDTJQ-GXFFZTMASA-N -1 0 351.399 2.069 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc(Cl)c3)c2)cn1 ZINC000002804346 539353825 /nfs/dbraw/zinc/35/38/25/539353825.db2.gz ALKVDRIAQQBHDU-UHFFFAOYSA-N -1 0 351.819 2.119 50 0 FEAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002804690 539353951 /nfs/dbraw/zinc/35/39/51/539353951.db2.gz LUROOSHLJHYWQU-UHFFFAOYSA-N -1 0 359.455 2.391 50 0 FEAARM CCn1ncc(Cn2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cn2)c1C ZINC000002809408 539355159 /nfs/dbraw/zinc/35/51/59/539355159.db2.gz OBEFTEVEYHCKTH-JKSUJKDBSA-N -1 0 359.430 2.286 50 0 FEAARM CC(=O)Oc1ccc2c(c1)occ(C=CC=C1C(=O)[N-]C(=O)NC1=O)c2=O ZINC000005624869 539413937 /nfs/dbraw/zinc/41/39/37/539413937.db2.gz QSVZVUAKDFLHDB-NSCUHMNNSA-N -1 0 368.301 2.069 50 0 FEAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1OC ZINC000006706833 539434429 /nfs/dbraw/zinc/43/44/29/539434429.db2.gz XILMHPZADRYGHM-UHFFFAOYSA-N -1 0 369.830 2.294 50 0 FEAARM COc1ccccc1N1CCN(C(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])CC1 ZINC000006715808 539434769 /nfs/dbraw/zinc/43/47/69/539434769.db2.gz NADFWDGQWYLOPC-QIRNKGDASA-N -1 0 372.465 2.481 50 0 FEAARM CCCNC(=O)CCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000012416135 539559246 /nfs/dbraw/zinc/55/92/46/539559246.db2.gz SIVRCYHAYOLONI-UHFFFAOYSA-N -1 0 363.439 2.152 50 0 FEAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccnc1OC ZINC000012823766 539576001 /nfs/dbraw/zinc/57/60/01/539576001.db2.gz NYZCEGZZYGJQHZ-UHFFFAOYSA-N -1 0 358.423 2.441 50 0 FEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000013135474 539584083 /nfs/dbraw/zinc/58/40/83/539584083.db2.gz SFKCKQIYMGZNAU-UHFFFAOYSA-N -1 0 355.213 2.349 50 0 FEAARM O=C([O-])c1ccc(CCNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000013443627 539587775 /nfs/dbraw/zinc/58/77/75/539587775.db2.gz DWISJYDCNCXVLS-UHFFFAOYSA-N -1 0 366.417 2.480 50 0 FEAARM COc1ccc(CNC(=O)COc2cc(C(=O)[O-])ccc2C)cc1OC ZINC000013248658 539584985 /nfs/dbraw/zinc/58/49/85/539584985.db2.gz BFPZCYYSXMZKEQ-UHFFFAOYSA-N -1 0 359.378 2.406 50 0 FEAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 ZINC000017075571 539639424 /nfs/dbraw/zinc/63/94/24/539639424.db2.gz IJXBNQBORKEBPZ-SECBINFHSA-N -1 0 368.455 2.038 50 0 FEAARM O=C([O-])CCS[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000019924990 539670646 /nfs/dbraw/zinc/67/06/46/539670646.db2.gz XIHZBUOTIJPHPY-JTQLQIEISA-N -1 0 363.313 2.425 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000021108614 539680743 /nfs/dbraw/zinc/68/07/43/539680743.db2.gz QYVPJBXCPNJEPH-UHFFFAOYSA-N -1 0 368.798 2.480 50 0 FEAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc1 ZINC000023157288 539708334 /nfs/dbraw/zinc/70/83/34/539708334.db2.gz ZQQHSYIFSRVFPE-CQSZACIVSA-N -1 0 360.439 2.235 50 0 FEAARM COCc1[n-]n2c(nc([C@H]3CNC(=O)C3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000023505245 539715491 /nfs/dbraw/zinc/71/54/91/539715491.db2.gz FWMBWBHRXAJDKY-LLVKDONJSA-N -1 0 372.812 2.093 50 0 FEAARM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[N-]OCc1ccccc1)C2=O ZINC000025283264 539753262 /nfs/dbraw/zinc/75/32/62/539753262.db2.gz JPBSORZRWUTSKA-VLIAUNLRSA-N -1 0 373.453 2.371 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)N2CCC(c3ccncc3)CC2)CCC(=O)N1 ZINC000218767393 209670031 /nfs/dbraw/zinc/67/00/31/209670031.db2.gz BNFDLUAPRBUYOM-FQEVSTJZSA-N -1 0 373.453 2.081 50 0 FEAARM CCOc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C ZINC000055359244 540648702 /nfs/dbraw/zinc/64/87/02/540648702.db2.gz KPGILZVRXSGYKW-HNNXBMFYSA-N -1 0 363.410 2.059 50 0 FEAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155913418 209480293 /nfs/dbraw/zinc/48/02/93/209480293.db2.gz PLJSNSJXZVUGOM-QPUJVOFHSA-N -1 0 359.209 2.278 50 0 FEAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002130600 209394309 /nfs/dbraw/zinc/39/43/09/209394309.db2.gz UTDOUDMTSCJWPW-BMLIUANNSA-N -1 0 361.394 2.268 50 0 biogenic FEAARM O=C(NCCC1N=NC(=S)N1C1CC1)c1cc(F)cc(Cl)c1[O-] ZINC000151011789 209392903 /nfs/dbraw/zinc/39/29/03/209392903.db2.gz VJOUFXDDISIZQI-UHFFFAOYSA-N -1 0 356.810 2.372 50 0 FEAARM Cn1c(=O)c2ccc(C(=O)NCC3(O)CCCCCC3)cc2[n-]c1=S ZINC000118698964 209348734 /nfs/dbraw/zinc/34/87/34/209348734.db2.gz GUYLMGMNSNWRIA-UHFFFAOYSA-N -1 0 361.467 2.037 50 0 FEAARM O=C([O-])CN(C(=O)c1ccn(-c2ccccc2Cl)n1)C1CCOCC1 ZINC000238114504 209359615 /nfs/dbraw/zinc/35/96/15/209359615.db2.gz KDLIPQSYMOCPGN-UHFFFAOYSA-N -1 0 363.801 2.232 50 0 FEAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000058159568 540830761 /nfs/dbraw/zinc/83/07/61/540830761.db2.gz BFZAWBDTSIAALC-UHFFFAOYSA-N -1 0 356.407 2.491 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000238038564 209358357 /nfs/dbraw/zinc/35/83/57/209358357.db2.gz JKRWVCTYEIWPBB-QGZVFWFLSA-N -1 0 366.348 2.319 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1 ZINC000238058003 209358178 /nfs/dbraw/zinc/35/81/78/209358178.db2.gz QIRYIZLYMGXRIM-VIFPVBQESA-N -1 0 367.199 2.246 50 0 FEAARM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000238071341 209357996 /nfs/dbraw/zinc/35/79/96/209357996.db2.gz LKKHBKQSXQLUFD-MRXNPFEDSA-N -1 0 370.380 2.378 50 0 FEAARM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237868594 209355318 /nfs/dbraw/zinc/35/53/18/209355318.db2.gz FQLRDYHOFFDEHC-ZDUSSCGKSA-N -1 0 363.801 2.150 50 0 FEAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000237745365 209353922 /nfs/dbraw/zinc/35/39/22/209353922.db2.gz SBNPKAOUGWPPQS-CQSZACIVSA-N -1 0 359.401 2.494 50 0 FEAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237725698 209351814 /nfs/dbraw/zinc/35/18/14/209351814.db2.gz QWSNJBQARLEZNO-KIUWMYQTSA-N -1 0 359.813 2.433 50 0 FEAARM COc1ccc(Br)c(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000237324672 209345138 /nfs/dbraw/zinc/34/51/38/209345138.db2.gz AVCJCPGJXYDZQM-OAHLLOKOSA-N -1 0 356.216 2.323 50 0 FEAARM CC[C@@H](Cc1ccccc1Br)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237036784 209327367 /nfs/dbraw/zinc/32/73/67/209327367.db2.gz RMXNOEGSSOUZDH-SMDDNHRTSA-N -1 0 370.243 2.330 50 0 FEAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065258789 541231269 /nfs/dbraw/zinc/23/12/69/541231269.db2.gz ZXPIEAGFFVDRGQ-UHFFFAOYSA-N -1 0 369.393 2.433 50 0 FEAARM COc1cccc(N2CCN(Cc3ncccc3C(=O)[O-])[C@H](C)C2=O)c1 ZINC000065387942 541235835 /nfs/dbraw/zinc/23/58/35/541235835.db2.gz VHDONXJUZLHZPH-CYBMUJFWSA-N -1 0 355.394 2.026 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cnn(C)c3C)cc2[n-]c1=S ZINC000103141723 209246613 /nfs/dbraw/zinc/24/66/13/209246613.db2.gz GNGKZLIMCVTUTJ-SNVBAGLBSA-N -1 0 371.466 2.238 50 0 FEAARM Cn1c(=O)c2ccc(C(=O)NCCOc3cccc(F)c3)cc2[n-]c1=S ZINC000103156276 209246864 /nfs/dbraw/zinc/24/68/64/209246864.db2.gz HVCWDAQPVMRDPZ-UHFFFAOYSA-N -1 0 373.409 2.170 50 0 FEAARM Cc1nc(C(C)C)ncc1C(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000067771088 541511059 /nfs/dbraw/zinc/51/10/59/541511059.db2.gz ADOKDEKPUZKDBX-UHFFFAOYSA-N -1 0 371.441 2.278 50 0 FEAARM Cc1cc(C)n(C(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)n1 ZINC000098212028 209207154 /nfs/dbraw/zinc/20/71/54/209207154.db2.gz SNOTZHCEFODEQL-UHFFFAOYSA-N -1 0 373.438 2.329 50 0 FEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000071284584 541765980 /nfs/dbraw/zinc/76/59/80/541765980.db2.gz KURYWWLVUKCXSK-IRXDYDNUSA-N -1 0 373.453 2.406 50 0 FEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(N(C)C)nc2)c1 ZINC000071745333 541769243 /nfs/dbraw/zinc/76/92/43/541769243.db2.gz JURWSSXJQJLJHD-UHFFFAOYSA-N -1 0 363.439 2.200 50 0 FEAARM O=C([O-])c1cc(-c2ccc(F)c(CO)c2)cc(S(=O)(=O)NC2CC2)c1 ZINC000071751605 541770241 /nfs/dbraw/zinc/77/02/41/541770241.db2.gz SCLINASAPOMWSI-UHFFFAOYSA-N -1 0 365.382 2.124 50 0 FEAARM O=C([O-])C1(NC(=O)c2nc(N3CCCC3)ncc2Cl)CCCCC1 ZINC000071800094 541772967 /nfs/dbraw/zinc/77/29/67/541772967.db2.gz NVBJDLSUEAZGPC-UHFFFAOYSA-N -1 0 352.822 2.248 50 0 FEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000072400619 541804606 /nfs/dbraw/zinc/80/46/06/541804606.db2.gz OXNWJINOPZPFMP-IAGOWNOFSA-N -1 0 373.453 2.406 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)c2ccoc2)CC1 ZINC000072409596 541806259 /nfs/dbraw/zinc/80/62/59/541806259.db2.gz FANCPPHZAWQLPL-UHFFFAOYSA-N -1 0 355.350 2.452 50 0 FEAARM Cc1ncc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c(C)n1 ZINC000072424781 541809994 /nfs/dbraw/zinc/80/99/94/541809994.db2.gz IBGKFCMCWGSBCJ-UHFFFAOYSA-N -1 0 355.394 2.232 50 0 FEAARM O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072433619 541813809 /nfs/dbraw/zinc/81/38/09/541813809.db2.gz LXRYOQACZOOLCQ-HXUWFJFHSA-N -1 0 358.438 2.283 50 0 FEAARM Cc1cc(C(=O)N2CC3(C[C@@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c(C)o1 ZINC000072447623 541815767 /nfs/dbraw/zinc/81/57/67/541815767.db2.gz OYGXLUXABZTKIM-MRXNPFEDSA-N -1 0 374.437 2.214 50 0 FEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000072480575 541821351 /nfs/dbraw/zinc/82/13/51/541821351.db2.gz UGFTUUCYLIEYCS-UHFFFAOYSA-N -1 0 353.422 2.396 50 0 FEAARM Cc1cc(C)n(-c2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)n1 ZINC000013013830 220054085 /nfs/dbraw/zinc/05/40/85/220054085.db2.gz BXASEGSJQSBJAC-NSHDSACASA-N -1 0 374.451 2.344 50 0 FEAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000299792848 206653601 /nfs/dbraw/zinc/65/36/01/206653601.db2.gz GMMJJWROWMRWCE-HXUWFJFHSA-N -1 0 367.357 2.087 50 0 FEAARM COc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc(OC)c1OC ZINC000000635101 206818915 /nfs/dbraw/zinc/81/89/15/206818915.db2.gz BWYHAXUMWZQWFZ-UHFFFAOYSA-N -1 0 352.368 2.048 50 0 FEAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002125346 206902567 /nfs/dbraw/zinc/90/25/67/206902567.db2.gz BYRZUFLAIAGTSN-GFCCVEGCSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM O=C([O-])COCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000004334648 207014090 /nfs/dbraw/zinc/01/40/90/207014090.db2.gz HOLCNOGKKORZNI-UHFFFAOYSA-N -1 0 366.417 2.002 50 0 FEAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004459318 207019433 /nfs/dbraw/zinc/01/94/33/207019433.db2.gz LSUOFGACKWWEQF-UWKDKTGGSA-N -1 0 370.380 2.115 50 0 biogenic FEAARM CS(=O)(=O)c1ccc2nc(NC(=O)CCCCC(=O)[O-])sc2c1 ZINC000004551307 207027675 /nfs/dbraw/zinc/02/76/75/207027675.db2.gz WFJUWVSJFHTQKX-UHFFFAOYSA-N -1 0 356.425 2.283 50 0 FEAARM COc1cccc(C[C@@H](C(=O)Nc2cccc(OC)c2)c2nnn[n-]2)c1 ZINC000005485660 207102576 /nfs/dbraw/zinc/10/25/76/207102576.db2.gz IDYSMPBJLXBVSI-MRXNPFEDSA-N -1 0 353.382 2.182 50 0 FEAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2)c2nnn[n-]2)c1 ZINC000005483521 207102735 /nfs/dbraw/zinc/10/27/35/207102735.db2.gz ZDZVOCCMLCNVDX-OAHLLOKOSA-N -1 0 353.382 2.182 50 0 FEAARM CCCCCNC(=O)CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006273365 207136547 /nfs/dbraw/zinc/13/65/47/207136547.db2.gz XRDPNSPRLKGNJP-CQSZACIVSA-N -1 0 358.467 2.441 50 0 FEAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859779 207172247 /nfs/dbraw/zinc/17/22/47/207172247.db2.gz PRULPKJYTSPTTQ-UHFFFAOYSA-N -1 0 353.400 2.313 50 0 FEAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859819 207172777 /nfs/dbraw/zinc/17/27/77/207172777.db2.gz AKSOBWNFAOWYKU-UHFFFAOYSA-N -1 0 353.400 2.313 50 0 FEAARM CCCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000006938447 207180386 /nfs/dbraw/zinc/18/03/86/207180386.db2.gz NVMVNTMZFDPPKY-AWEZNQCLSA-N -1 0 371.455 2.208 50 0 FEAARM Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000007785569 207207216 /nfs/dbraw/zinc/20/72/16/207207216.db2.gz CKZWCTGBJCHEDJ-VXGBXAGGSA-N -1 0 363.439 2.018 50 0 FEAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(OC)cc2OC)C1=O ZINC000009009424 207255368 /nfs/dbraw/zinc/25/53/68/207255368.db2.gz TWKOIVMTQNXHAN-PTNGSMBKSA-N -1 0 361.398 2.268 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(CCOc2ccsc2C(=O)[O-])CC1 ZINC000012336569 207362669 /nfs/dbraw/zinc/36/26/69/207362669.db2.gz XLLFEGPOZBNAHU-UHFFFAOYSA-N -1 0 356.444 2.378 50 0 FEAARM O=C([O-])CNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000012409543 207371831 /nfs/dbraw/zinc/37/18/31/207371831.db2.gz PTAOZOVTACTSEC-UHFFFAOYSA-N -1 0 360.313 2.452 50 0 FEAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccccn1 ZINC000018122281 207626313 /nfs/dbraw/zinc/62/63/13/207626313.db2.gz BAYNGWKFUYMUDJ-UHFFFAOYSA-N -1 0 354.391 2.064 50 0 FEAARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000032895324 208052163 /nfs/dbraw/zinc/05/21/63/208052163.db2.gz YLSSZXNODLQQEK-UHFFFAOYSA-N -1 0 360.313 2.485 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCCC1 ZINC000031818832 208017125 /nfs/dbraw/zinc/01/71/25/208017125.db2.gz OYPRNBJAKQSEIQ-KRWDZBQOSA-N -1 0 359.382 2.193 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1 ZINC000033077125 208071251 /nfs/dbraw/zinc/07/12/51/208071251.db2.gz MQBIDLLUWPJEOK-UHFFFAOYSA-N -1 0 360.391 2.346 50 0 FEAARM COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000070666366 208178129 /nfs/dbraw/zinc/17/81/29/208178129.db2.gz UWFGSLFOSRGZIM-NEPJUHHUSA-N -1 0 360.366 2.258 50 0 FEAARM COc1cc(S(=O)(=O)Nc2cccc(F)c2F)cc(C(=O)[O-])c1OC ZINC000071819805 208185286 /nfs/dbraw/zinc/18/52/86/208185286.db2.gz QQUMIENDRBRUDC-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)nn1C ZINC000072251517 208186806 /nfs/dbraw/zinc/18/68/06/208186806.db2.gz UZHHVZPNUQSPHI-UHFFFAOYSA-N -1 0 363.439 2.195 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000299742307 208337093 /nfs/dbraw/zinc/33/70/93/208337093.db2.gz BASPLJHTBUAMKY-SFHVURJKSA-N -1 0 362.385 2.040 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2c1OCO2 ZINC000299744215 208341180 /nfs/dbraw/zinc/34/11/80/208341180.db2.gz NYHPDZZRKCNIOI-HNNXBMFYSA-N -1 0 352.346 2.322 50 0 FEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299748624 208343832 /nfs/dbraw/zinc/34/38/32/208343832.db2.gz HTDFSKDORAWWLH-IUODEOHRSA-N -1 0 372.343 2.158 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000299750631 208358107 /nfs/dbraw/zinc/35/81/07/208358107.db2.gz ODWFDFLYKYKHRQ-GFCCVEGCSA-N -1 0 362.357 2.175 50 0 FEAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)cn1 ZINC000071764031 208777663 /nfs/dbraw/zinc/77/76/63/208777663.db2.gz CMKAOPRMXQGLMG-UHFFFAOYSA-N -1 0 350.396 2.142 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NCC3(Cn4cccn4)CC3)n2)c1 ZINC000077407413 208905185 /nfs/dbraw/zinc/90/51/85/208905185.db2.gz LCEQGKGAAJNAQN-UHFFFAOYSA-N -1 0 350.382 2.326 50 0 FEAARM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000095969513 209092062 /nfs/dbraw/zinc/09/20/62/209092062.db2.gz BQLYBJYWDIDOGK-NEPJUHHUSA-N -1 0 368.430 2.209 50 0 FEAARM Cc1ccn2c(nnc2C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095353705 209025057 /nfs/dbraw/zinc/02/50/57/209025057.db2.gz FALZGCPCVDCTFV-OAHLLOKOSA-N -1 0 365.393 2.151 50 0 FEAARM Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095361196 209027252 /nfs/dbraw/zinc/02/72/52/209027252.db2.gz CBRYQQCXTGIVSL-LLVKDONJSA-N -1 0 365.817 2.236 50 0 FEAARM CCn1nccc1S(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095361487 209027915 /nfs/dbraw/zinc/02/79/15/209027915.db2.gz BNLSLMFVOXYMCJ-HNNXBMFYSA-N -1 0 363.439 2.170 50 0 FEAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)cc1 ZINC000095363957 209029241 /nfs/dbraw/zinc/02/92/41/209029241.db2.gz UHJGKVJVDUCENW-QGZVFWFLSA-N -1 0 358.438 2.493 50 0 FEAARM Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])N1CCN(c2nc3ccccc3o2)CC1 ZINC000095390096 209045454 /nfs/dbraw/zinc/04/54/54/209045454.db2.gz LCFCHKDYWLJLFH-KRWDZBQOSA-N -1 0 369.425 2.126 50 0 FEAARM CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095376035 209037155 /nfs/dbraw/zinc/03/71/55/209037155.db2.gz NYLHKLAKMYXJQT-OAHLLOKOSA-N -1 0 363.439 2.170 50 0 FEAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000095391549 209046888 /nfs/dbraw/zinc/04/68/88/209046888.db2.gz DBOBTVMKBUUIRX-QGZVFWFLSA-N -1 0 366.352 2.435 50 0 FEAARM COc1ccc(-c2n[nH]cc2[C@H](CC(=O)[O-])c2c(O)cc(C)[nH]c2=O)cc1 ZINC000095472745 209057117 /nfs/dbraw/zinc/05/71/17/209057117.db2.gz IFDJPUWBXCDWBF-ZDUSSCGKSA-N -1 0 369.377 2.394 50 0 FEAARM O=C([O-])C1(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCCC1 ZINC000070040693 221331995 /nfs/dbraw/zinc/33/19/95/221331995.db2.gz QHYJDXNZIYVADY-UHFFFAOYSA-N -1 0 360.410 2.133 50 0 FEAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(c2ncnc3nc[nH]c32)CC1 ZINC000082109058 132195565 /nfs/dbraw/zinc/19/55/65/132195565.db2.gz URDOAOMZDAXKJS-UHFFFAOYSA-N -1 0 371.372 2.303 50 0 FEAARM CN(Cc1ccccc1)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096141270 132220429 /nfs/dbraw/zinc/22/04/29/132220429.db2.gz LBTQYXIFLHNKAL-UHFFFAOYSA-N -1 0 370.453 2.312 50 0 FEAARM CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000089391796 542762424 /nfs/dbraw/zinc/76/24/24/542762424.db2.gz FMXFJGCHVZFDCU-UHFFFAOYSA-N -1 0 368.798 2.199 50 0 FEAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NNc3ccccc3)C2=O)cc1 ZINC000005119530 132826889 /nfs/dbraw/zinc/82/68/89/132826889.db2.gz VNWHWDDXAXNHRC-FOWTUZBSSA-N -1 0 366.377 2.169 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C(=O)[O-])c1OC ZINC000091288787 542803951 /nfs/dbraw/zinc/80/39/51/542803951.db2.gz VFJMGSFSWWCTEI-QWHCGFSZSA-N -1 0 374.368 2.178 50 0 FEAARM Cc1cccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)n1 ZINC000091548618 542812402 /nfs/dbraw/zinc/81/24/02/542812402.db2.gz DINAEBRGVOITEI-UONOGXRCSA-N -1 0 354.362 2.059 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2C(=O)[O-])c1 ZINC000091737606 542822851 /nfs/dbraw/zinc/82/28/51/542822851.db2.gz CSQXNVKHALPLKJ-JKSUJKDBSA-N -1 0 369.373 2.364 50 0 FEAARM Cc1oc(CNC(=O)CCN2C(=O)CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000299749653 136121986 /nfs/dbraw/zinc/12/19/86/136121986.db2.gz LEWTYOZIFYERMS-UHFFFAOYSA-N -1 0 374.368 2.411 50 0 FEAARM O=S(=O)([N-]C1CCN(c2ccccn2)CC1)c1c(F)cccc1F ZINC000056060247 136127491 /nfs/dbraw/zinc/12/74/91/136127491.db2.gz ZUJZABAXVOUHPZ-UHFFFAOYSA-N -1 0 353.394 2.307 50 0 FEAARM COc1cccc(CC2(C(=O)[O-])CCN(c3ncc(C)c(N)n3)CC2)c1 ZINC000071761097 136140444 /nfs/dbraw/zinc/14/04/44/136140444.db2.gz YWBNXVDJMBJHQC-UHFFFAOYSA-N -1 0 356.426 2.290 50 0 FEAARM O=C([O-])[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl ZINC000095510186 542976794 /nfs/dbraw/zinc/97/67/94/542976794.db2.gz BRPZAIPDGCBUOJ-OAHLLOKOSA-N -1 0 364.829 2.231 50 0 FEAARM O=C([O-])c1cn(C2CN(C(=O)c3sccc3-c3ccccc3)C2)nn1 ZINC000095962981 542984730 /nfs/dbraw/zinc/98/47/30/542984730.db2.gz QXKVGZUPZMQWHE-UHFFFAOYSA-N -1 0 354.391 2.402 50 0 FEAARM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000097161318 543006231 /nfs/dbraw/zinc/00/62/31/543006231.db2.gz SCJMBLGWSOJAQZ-UHFFFAOYSA-N -1 0 374.422 2.481 50 0 FEAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N(C)C)o1 ZINC000097940832 543017179 /nfs/dbraw/zinc/01/71/79/543017179.db2.gz UQFQLNOOAYGVDC-UHFFFAOYSA-N -1 0 374.422 2.481 50 0 FEAARM CN1c2ccsc2C([O-])=C(C(=O)NCc2ccccc2)S1(=O)=O ZINC000100940689 543026404 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COCC[C@@]1(C(=O)[O-])CCCN(C(=O)COc2ccccc2Cl)C1 ZINC000091551098 521901919 /nfs/dbraw/zinc/90/19/19/521901919.db2.gz WHOZQVYHUBFQDR-KRWDZBQOSA-N -1 0 355.818 2.449 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000299748721 523700374 /nfs/dbraw/zinc/70/03/74/523700374.db2.gz HYRUSRKILCBHAR-CZUORRHYSA-N -1 0 358.419 2.282 50 0 FEAARM C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000269091308 525066765 /nfs/dbraw/zinc/06/67/65/525066765.db2.gz TYYHIOKYEZEFTP-FZKQIMNGSA-N -1 0 368.389 2.133 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000268953770 526292515 /nfs/dbraw/zinc/29/25/15/526292515.db2.gz SRWDCGUJMIYCOZ-SFHVURJKSA-N -1 0 364.401 2.465 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000262401178 526321767 /nfs/dbraw/zinc/32/17/67/526321767.db2.gz HIDFRCOYCQHZGM-ZANVPECISA-N -1 0 368.842 2.466 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CCO1 ZINC000269032925 527636570 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Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000237604511 209353266 /nfs/dbraw/zinc/35/32/66/209353266.db2.gz DKGDSAVIAWVAQJ-QWRGUYRKSA-N -1 0 356.216 2.458 50 0 FEAARM COc1cc(S(=O)(=O)Nc2ccc(F)cc2)cc(C(=O)[O-])c1OC ZINC000045945875 209327878 /nfs/dbraw/zinc/32/78/78/209327878.db2.gz LGPVWNHQLNGSTL-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000060800182 541121819 /nfs/dbraw/zinc/12/18/19/541121819.db2.gz IQJNOGQUQISBDK-UHFFFAOYSA-N -1 0 367.354 2.404 50 0 FEAARM CCN1CCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065254717 541230850 /nfs/dbraw/zinc/23/08/50/541230850.db2.gz OJSJFMPMXOLFGQ-UHFFFAOYSA-N -1 0 355.366 2.043 50 0 FEAARM COc1ccc(-n2ncc([C@H]3CC(=O)Nc4[nH]nc(C(=O)[O-])c43)c2C)cc1 ZINC000065404709 541236352 /nfs/dbraw/zinc/23/63/52/541236352.db2.gz VDIHUPAMMIFUMY-GFCCVEGCSA-N -1 0 367.365 2.085 50 0 FEAARM Cc1cc(C)n(CCCN(C)c2nc(N)nc3ccc(C(=O)[O-])cc32)n1 ZINC000065527233 541244108 /nfs/dbraw/zinc/24/41/08/541244108.db2.gz KOCVFORKIZKNKF-UHFFFAOYSA-N -1 0 354.414 2.250 50 0 FEAARM Cc1nc(-c2ccc(N3CC(=O)N=C3[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC000065535526 541244223 /nfs/dbraw/zinc/24/42/23/541244223.db2.gz ZPPPPTAAFPJMSU-UHFFFAOYSA-N -1 0 351.341 2.438 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1OC ZINC000102818922 209242898 /nfs/dbraw/zinc/24/28/98/209242898.db2.gz RLVLZMDTZZSDQC-HOTGVXAUSA-N -1 0 352.350 2.202 50 0 FEAARM O=C(Cc1nnn[n-]1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067804719 541515179 /nfs/dbraw/zinc/51/51/79/541515179.db2.gz UCSNDLWEDGJCRN-UHFFFAOYSA-N -1 0 371.832 2.192 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1 ZINC000101167277 209221724 /nfs/dbraw/zinc/22/17/24/209221724.db2.gz YCXKKZDIAITHHX-DLBZAZTESA-N -1 0 350.378 2.497 50 0 FEAARM CCN1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)cc2)CC1=O ZINC000097468056 209181079 /nfs/dbraw/zinc/18/10/79/209181079.db2.gz KHTRQCKQCZILCH-UHFFFAOYSA-N -1 0 358.394 2.221 50 0 FEAARM COc1ccc2cc([C@H]3CN(C(=O)c4cc(=O)[nH][n-]4)CCO3)ccc2c1 ZINC000071764363 541772152 /nfs/dbraw/zinc/77/21/52/541772152.db2.gz FNYPNMIKHOLRFS-QGZVFWFLSA-N -1 0 353.378 2.491 50 0 FEAARM O=c1[n-]c(CCCNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)n[nH]1 ZINC000072307671 541798354 /nfs/dbraw/zinc/79/83/54/541798354.db2.gz IDOQYZGSBGZWCH-UHFFFAOYSA-N -1 0 365.319 2.014 50 0 FEAARM CCC[C@@H](C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1)n1cccc1 ZINC000072422042 541809186 /nfs/dbraw/zinc/80/91/86/541809186.db2.gz IGPXDTYQWZKYEE-KRWDZBQOSA-N -1 0 358.442 2.476 50 0 FEAARM COc1ccc(Cl)cc1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072428706 541811743 /nfs/dbraw/zinc/81/17/43/541811743.db2.gz SBULGMWXSGHMMS-UHFFFAOYSA-N -1 0 363.801 2.218 50 0 FEAARM Cn1cc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c2ccccc21 ZINC000072433622 541813215 /nfs/dbraw/zinc/81/32/15/541813215.db2.gz RNMCGROARLKSOH-UHFFFAOYSA-N -1 0 366.421 2.438 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1cccs1)CCN(C(=O)C1CC1)CC2 ZINC000072436108 541814055 /nfs/dbraw/zinc/81/40/55/541814055.db2.gz NEMSTOYUEXFPBW-CYBMUJFWSA-N -1 0 362.451 2.066 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCc3ccccc3O1)C2 ZINC000072476801 541819608 /nfs/dbraw/zinc/81/96/08/541819608.db2.gz OCMRXBUCUWDHDY-SFHVURJKSA-N -1 0 369.421 2.026 50 0 FEAARM COc1ccc(S(=O)(=O)NC[C@@H](Cc2cccs2)C(=O)[O-])c(C)c1 ZINC000097101856 209171814 /nfs/dbraw/zinc/17/18/14/209171814.db2.gz PZCFWHUAWNMBPA-GFCCVEGCSA-N -1 0 369.464 2.287 50 0 FEAARM O=C([O-])c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000013626020 220079365 /nfs/dbraw/zinc/07/93/65/220079365.db2.gz FKOQCQLRMMLTHQ-UHFFFAOYSA-N -1 0 359.407 2.078 50 0 FEAARM CCN1C[C@]2(CCCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C2)CCC1=O ZINC000299756409 206632022 /nfs/dbraw/zinc/63/20/22/206632022.db2.gz DRNYUQREVZNZQF-IBGZPJMESA-N -1 0 361.442 2.194 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)CCO1 ZINC000328596403 206711860 /nfs/dbraw/zinc/71/18/60/206711860.db2.gz NMXWIJBBLWYRHT-UKINESCASA-N -1 0 372.352 2.338 50 0 FEAARM COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000002328985 206909407 /nfs/dbraw/zinc/90/94/07/206909407.db2.gz UOBJQNNITJVIJC-HNNXBMFYSA-N -1 0 358.394 2.199 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000004196985 207006555 /nfs/dbraw/zinc/00/65/55/207006555.db2.gz NVOGELBWXVWEAA-BBWFWOEESA-N -1 0 372.421 2.201 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nnn[n-]2)c(OC)c1 ZINC000004599305 207030863 /nfs/dbraw/zinc/03/08/63/207030863.db2.gz MDVHMQWDAMJIEK-HNNXBMFYSA-N -1 0 371.372 2.321 50 0 FEAARM Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000005206699 207087332 /nfs/dbraw/zinc/08/73/32/207087332.db2.gz SOJVTVARKODFLQ-NSHDSACASA-N -1 0 366.377 2.493 50 0 FEAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011866821 207328210 /nfs/dbraw/zinc/32/82/10/207328210.db2.gz KGRXOVGCSWWERT-ZBEGNZNMSA-N -1 0 371.389 2.125 50 0 FEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1csnn1 ZINC000011914889 207328915 /nfs/dbraw/zinc/32/89/15/207328915.db2.gz YHBUTONXCIVEFG-UHFFFAOYSA-N -1 0 367.437 2.048 50 0 FEAARM Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012324277 207360899 /nfs/dbraw/zinc/36/08/99/207360899.db2.gz ULSGXDSVHVLCQL-UHFFFAOYSA-N -1 0 350.353 2.371 50 0 FEAARM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCCCC1 ZINC000032093989 208023624 /nfs/dbraw/zinc/02/36/24/208023624.db2.gz SNDQHCXJPNQROH-DKFQHHCZSA-N -1 0 371.393 2.359 50 0 FEAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000032097236 208026402 /nfs/dbraw/zinc/02/64/02/208026402.db2.gz BDGJTMNNFDMQOH-QGZVFWFLSA-N -1 0 353.378 2.345 50 0 FEAARM CCC[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)[O-] ZINC000035686283 208135446 /nfs/dbraw/zinc/13/54/46/208135446.db2.gz XVENMZYTNOZWKE-AWEZNQCLSA-N -1 0 361.394 2.412 50 0 FEAARM CC(C)NC(=O)CCc1nnc(-c2cccc(OCC3CC3)c2)[n-]c1=O ZINC000034765403 208109179 /nfs/dbraw/zinc/10/91/79/208109179.db2.gz IQVLGXOZLAMNTA-UHFFFAOYSA-N -1 0 356.426 2.490 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1OC(F)F ZINC000042290922 208292059 /nfs/dbraw/zinc/29/20/59/208292059.db2.gz LIUBLVHGGOVCEO-BQYQJAHWSA-N -1 0 372.349 2.411 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000299741077 208336289 /nfs/dbraw/zinc/33/62/89/208336289.db2.gz COXPUFWDNQABEG-SJORKVTESA-N -1 0 355.394 2.272 50 0 FEAARM C[C@@H]1Oc2c(cccc2C(=O)N(CC(=O)[O-])Cc2ccccc2)NC1=O ZINC000299744326 208340814 /nfs/dbraw/zinc/34/08/14/208340814.db2.gz OFQACDAWNBPKNF-LBPRGKRZSA-N -1 0 354.362 2.133 50 0 FEAARM O=C([O-])c1csc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)n1 ZINC000299749634 208357470 /nfs/dbraw/zinc/35/74/70/208357470.db2.gz LCDXINVLWHQNLS-UHFFFAOYSA-N -1 0 363.370 2.037 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299750494 208358322 /nfs/dbraw/zinc/35/83/22/208358322.db2.gz NPCILYPSQVLJEP-LYRGGWFBSA-N -1 0 358.373 2.264 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cccc(Nc2cnccn2)c1 ZINC000299752532 208360159 /nfs/dbraw/zinc/36/01/59/208360159.db2.gz UMLQKRJXISVYEM-MRXNPFEDSA-N -1 0 370.409 2.316 50 0 FEAARM O=C([O-])[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1ccccc1 ZINC000299753546 208362105 /nfs/dbraw/zinc/36/21/05/208362105.db2.gz YNOZYKXLRUJCHM-HNNXBMFYSA-N -1 0 373.796 2.425 50 0 FEAARM CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1cc(=O)[n-]o1 ZINC000077521691 542392079 /nfs/dbraw/zinc/39/20/79/542392079.db2.gz YHOBLJNEWBKYFI-INIZCTEOSA-N -1 0 371.437 2.181 50 0 FEAARM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000072401565 208844774 /nfs/dbraw/zinc/84/47/74/208844774.db2.gz FRKBQKNUWCPUKC-UHFFFAOYSA-N -1 0 359.338 2.001 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)N2CCCC2)CC1 ZINC000072409089 208848374 /nfs/dbraw/zinc/84/83/74/208848374.db2.gz OQCUTASOZXWTTB-UHFFFAOYSA-N -1 0 358.398 2.235 50 0 FEAARM CCCCS(=O)(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072407314 208848859 /nfs/dbraw/zinc/84/88/59/208848859.db2.gz ZVBRMXRDLBRSAE-UHFFFAOYSA-N -1 0 359.419 2.254 50 0 FEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)c2cccnc2)CC1 ZINC000072420128 208852428 /nfs/dbraw/zinc/85/24/28/208852428.db2.gz LHUAVRPCFHVZEU-UHFFFAOYSA-N -1 0 350.378 2.147 50 0 FEAARM Cc1cc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c(=O)n(C)c1C ZINC000072424694 208856494 /nfs/dbraw/zinc/85/64/94/208856494.db2.gz UAUUKPNBOIROSF-MRXNPFEDSA-N -1 0 368.433 2.405 50 0 FEAARM Cc1nn2c([n-]1)nc(CN1CCC[C@H]1c1nc3ccccc3n1C)cc2=O ZINC000077376446 208901260 /nfs/dbraw/zinc/90/12/60/208901260.db2.gz LZLVLSZBSDZHFL-INIZCTEOSA-N -1 0 363.425 2.362 50 0 FEAARM Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1cc(=O)[nH][n-]1 ZINC000091894006 209004289 /nfs/dbraw/zinc/00/42/89/209004289.db2.gz XZUYFJKPCHRSSJ-NSHDSACASA-N -1 0 358.446 2.474 50 0 FEAARM COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000095989719 209093468 /nfs/dbraw/zinc/09/34/68/209093468.db2.gz UWBUNRPDEPWEFL-ZDUSSCGKSA-N -1 0 362.313 2.168 50 0 FEAARM CC[C@@](C)(NC(=O)c1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1)C(=O)[O-] ZINC000095969989 209092075 /nfs/dbraw/zinc/09/20/75/209092075.db2.gz UJRQVBPROAKQIK-QGZVFWFLSA-N -1 0 363.801 2.177 50 0 FEAARM CCn1cc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095376034 209036232 /nfs/dbraw/zinc/03/62/32/209036232.db2.gz NYLHKLAKMYXJQT-HNNXBMFYSA-N -1 0 363.439 2.170 50 0 FEAARM C[C@H](NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1n[nH]c(=O)[n-]1 ZINC000095376611 209037650 /nfs/dbraw/zinc/03/76/50/209037650.db2.gz GYWWRANUDATWCS-JTQLQIEISA-N -1 0 366.356 2.043 50 0 FEAARM C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])S(C)(=O)=O ZINC000095446774 209050747 /nfs/dbraw/zinc/05/07/47/209050747.db2.gz PGVSMPKCMMMLHF-RXMQYKEDSA-N -1 0 356.625 2.180 50 0 FEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)[O-] ZINC000095502527 209063070 /nfs/dbraw/zinc/06/30/70/209063070.db2.gz IGECTKMPKQQBOA-MRXNPFEDSA-N -1 0 353.382 2.142 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 ZINC000013317210 132306745 /nfs/dbraw/zinc/30/67/45/132306745.db2.gz HKJWLMWBYVHLAL-UHFFFAOYSA-N -1 0 356.403 2.140 50 0 FEAARM O=C([O-])[C@@H]1CN(c2ccc(C(=O)N3CCCC3)cn2)C[C@H]1c1ccncc1 ZINC000091426579 542806887 /nfs/dbraw/zinc/80/68/87/542806887.db2.gz YFIDDHUZSNERIK-DLBZAZTESA-N -1 0 366.421 2.017 50 0 FEAARM COCc1ccc(C(=O)N2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)o1 ZINC000092106896 542846741 /nfs/dbraw/zinc/84/67/41/542846741.db2.gz ILSUQZBWKCIREJ-LSDHHAIUSA-N -1 0 359.378 2.375 50 0 FEAARM Nc1nccc(N2CCC(Oc3ccc4c(c3)CCC4)(C(=O)[O-])CC2)n1 ZINC000072408687 136145264 /nfs/dbraw/zinc/14/52/64/136145264.db2.gz IIITWWHZNIXYLE-UHFFFAOYSA-N -1 0 354.410 2.050 50 0 FEAARM COC(=O)C[C@H](c1ccccc1OC)c1c([O-])nc2ccccn2c1=O ZINC000096116977 542992130 /nfs/dbraw/zinc/99/21/30/542992130.db2.gz ZPYONFHYQIPJIO-CYBMUJFWSA-N -1 0 354.362 2.104 50 0 FEAARM O=C([O-])[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000101158200 543026439 /nfs/dbraw/zinc/02/64/39/543026439.db2.gz DKIDUEFGXKKXNI-ZHMBSYLPSA-N -1 0 354.399 2.316 50 0 FEAARM O=C1OCC([O-])=C1[C@@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 ZINC000109341856 543322095 /nfs/dbraw/zinc/32/20/95/543322095.db2.gz BLXDBBRWYLZCDC-KRWDZBQOSA-N -1 0 370.313 2.350 50 0 FEAARM Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)[O-])c3c(C)n[nH]c3C)[nH]n2)s1 ZINC000095525016 209075479 /nfs/dbraw/zinc/07/54/79/209075479.db2.gz LMXVJVPNHIHVTC-AWEZNQCLSA-N -1 0 359.411 2.342 50 0 FEAARM Cc1cc(S(C)(=O)=O)cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1C ZINC000263361368 328934960 /nfs/dbraw/zinc/93/49/60/328934960.db2.gz UJNHSEOBCQEBII-LLVKDONJSA-N -1 0 353.440 2.032 50 0 FEAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)CO2 ZINC000263557906 328946973 /nfs/dbraw/zinc/94/69/73/328946973.db2.gz ZSIQTEVSTVVRHJ-RDJZCZTQSA-N -1 0 355.390 2.231 50 0 FEAARM O=C([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000265430746 329126251 /nfs/dbraw/zinc/12/62/51/329126251.db2.gz RNISOGPVNNMBRJ-NSHDSACASA-N -1 0 353.318 2.324 50 0 FEAARM Cc1oncc1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000269341367 329509462 /nfs/dbraw/zinc/50/94/62/329509462.db2.gz PDTQUYJKYRFJDM-UHFFFAOYSA-N -1 0 373.456 2.081 50 0 FEAARM CCCc1ncncc1-c1nc(COc2cccc(F)c2)nn1CC(=O)[O-] ZINC000097815367 521553461 /nfs/dbraw/zinc/55/34/61/521553461.db2.gz DDCCJLIDHJINEP-UHFFFAOYSA-N -1 0 371.372 2.490 50 0 FEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000299747595 525183234 /nfs/dbraw/zinc/18/32/34/525183234.db2.gz DHISFOVDTHGLPF-HGNGGELXSA-N -1 0 370.199 2.118 50 0 FEAARM CS(=O)(=O)c1cccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])c2ccccc2)c1 ZINC000262371817 525275067 /nfs/dbraw/zinc/27/50/67/525275067.db2.gz GMBDEXBUCGOCTB-GVDBMIGSSA-N -1 0 373.430 2.016 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000268961956 526292125 /nfs/dbraw/zinc/29/21/25/526292125.db2.gz ZSBNQWJORVMGAF-RDJZCZTQSA-N -1 0 350.374 2.151 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000268953619 526292132 /nfs/dbraw/zinc/29/21/32/526292132.db2.gz SOGADDZQUODUBA-WBVHZDCISA-N -1 0 368.364 2.290 50 0 FEAARM O=C([O-])c1csc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000268907294 526407707 /nfs/dbraw/zinc/40/77/07/526407707.db2.gz OPPXTJPLMJNIEF-ZDUSSCGKSA-N -1 0 362.407 2.329 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCO1 ZINC000262710010 527636470 /nfs/dbraw/zinc/63/64/70/527636470.db2.gz FEWAQQKHIADIAV-NSHDSACASA-N -1 0 372.299 2.382 50 0 FEAARM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]nnc1=O ZINC000005151885 534943838 /nfs/dbraw/zinc/94/38/38/534943838.db2.gz MDZQKDWMBIPAAO-UHFFFAOYSA-N -1 0 373.438 2.028 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)C1=Cc2cc(F)ccc2OC1 ZINC000156731378 545653943 /nfs/dbraw/zinc/65/39/43/545653943.db2.gz RGYLQMJQLMAXBV-UHFFFAOYSA-N -1 0 368.773 2.155 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000170609398 546165074 /nfs/dbraw/zinc/16/50/74/546165074.db2.gz RILPGHDHUHYZKJ-STQMWFEESA-N -1 0 365.842 2.091 50 0 FEAARM Cc1oc(-c2cccs2)nc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000170617104 546166146 /nfs/dbraw/zinc/16/61/46/546166146.db2.gz XTXPKMCSPQNBBJ-LLVKDONJSA-N -1 0 370.452 2.340 50 0 FEAARM CCCc1ccc(S(=O)(=O)N2CCN(CCCCC(=O)[O-])CC2)cc1 ZINC000181539265 547330991 /nfs/dbraw/zinc/33/09/91/547330991.db2.gz FELQDSVVVDPUHL-UHFFFAOYSA-N -1 0 368.499 2.200 50 0 FEAARM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1NC(=O)CC(C)C ZINC000183422767 547657032 /nfs/dbraw/zinc/65/70/32/547657032.db2.gz WSTFERNHZLYOJY-ZDUSSCGKSA-N -1 0 358.446 2.368 50 0 FEAARM Cc1cc(=O)c(C2=Nc3c(C(N)=O)cnn3[C@H](c3cccs3)C2)c([O-])o1 ZINC000198840075 548663025 /nfs/dbraw/zinc/66/30/25/548663025.db2.gz JNPHDDBGZIONBF-NSHDSACASA-N -1 0 370.390 2.125 50 0 FEAARM COc1cc(Cl)cc(CN2CCc3c(c(C(=O)[O-])nn3C)C2)c1OC ZINC000215174737 548669913 /nfs/dbraw/zinc/66/99/13/548669913.db2.gz FBRRRKHZPDQPIT-UHFFFAOYSA-N -1 0 365.817 2.347 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cc(F)c(F)c(F)c2)CCC(=O)N1 ZINC000218236124 548686752 /nfs/dbraw/zinc/68/67/52/548686752.db2.gz VGYQTPVROURCKS-QGZVFWFLSA-N -1 0 372.343 2.014 50 0 FEAARM CCOC(C)(C)C(=O)N1CCc2[nH]c(-c3cccc(C(=O)[O-])c3)nc2C1 ZINC000218978595 548691972 /nfs/dbraw/zinc/69/19/72/548691972.db2.gz YRAQBFJEKJWWFE-UHFFFAOYSA-N -1 0 357.410 2.475 50 0 FEAARM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000225698813 548741731 /nfs/dbraw/zinc/74/17/31/548741731.db2.gz AQSFOSSAOJKGKA-UHFFFAOYSA-N -1 0 366.292 2.467 50 0 FEAARM Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CCCC(=O)[O-])CC2)c1C ZINC000237810099 548855120 /nfs/dbraw/zinc/85/51/20/548855120.db2.gz XDTZLAZGXQWPOQ-UHFFFAOYSA-N -1 0 368.499 2.091 50 0 FEAARM C[Si](C)(C)c1ccc(CC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000253425245 549688782 /nfs/dbraw/zinc/68/87/82/549688782.db2.gz RKMWZMXNAIRNBG-UHFFFAOYSA-N -1 0 353.541 2.341 50 0 FEAARM Cc1cccc(COc2cccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)c1 ZINC000262438179 549819941 /nfs/dbraw/zinc/81/99/41/549819941.db2.gz UCYLJFANWIKAJT-GOSISDBHSA-N -1 0 355.390 2.500 50 0 FEAARM COc1cccc(SCC(=O)NCCc2nc(C(=O)[O-])cs2)c1 ZINC000262990886 549868719 /nfs/dbraw/zinc/86/87/19/549868719.db2.gz KCROZCIXSULJPJ-UHFFFAOYSA-N -1 0 352.437 2.301 50 0 FEAARM Cc1oc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1C(=O)[O-] ZINC000263007616 549870807 /nfs/dbraw/zinc/87/08/07/549870807.db2.gz QTQGHBZAUJTNDC-ZDUSSCGKSA-N -1 0 356.378 2.494 50 0 FEAARM COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000285187644 551717678 /nfs/dbraw/zinc/71/76/78/551717678.db2.gz VXHMJVSPNZRPCI-KOLCDFICSA-N -1 0 354.815 2.459 50 0 FEAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000334007709 554667496 /nfs/dbraw/zinc/66/74/96/554667496.db2.gz UTMIJNRZJGMDIG-HNNXBMFYSA-N -1 0 361.822 2.226 50 0 FEAARM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1N1CCOCC1 ZINC000647728215 567990607 /nfs/dbraw/zinc/99/06/07/567990607.db2.gz MNWQXLBVJGKWNA-GOSISDBHSA-N -1 0 368.433 2.257 50 0 FEAARM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000102140177 570827727 /nfs/dbraw/zinc/82/77/27/570827727.db2.gz BPQVFNLLLBFXRI-LLVKDONJSA-N -1 0 370.452 2.340 50 0 FEAARM O=C(Cc1ccccc1F)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000048203866 570936610 /nfs/dbraw/zinc/93/66/10/570936610.db2.gz MTXHYSZNZJFPDS-UHFFFAOYSA-N -1 0 353.353 2.318 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C/C=C/c2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC000685940881 571100055 /nfs/dbraw/zinc/10/00/55/571100055.db2.gz YMZMTACEDCRKSE-NPVZPIMVSA-N -1 0 358.373 2.041 50 0 FEAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1C ZINC000084794476 571100438 /nfs/dbraw/zinc/10/04/38/571100438.db2.gz QRUPTBGNZCXXSZ-UHFFFAOYSA-N -1 0 354.432 2.456 50 0 FEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)n1 ZINC000426396361 571219345 /nfs/dbraw/zinc/21/93/45/571219345.db2.gz FSFUMODFGBLWGV-LBPRGKRZSA-N -1 0 363.364 2.195 50 0 FEAARM O=C([O-])CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 ZINC000193454878 571280808 /nfs/dbraw/zinc/28/08/08/571280808.db2.gz YMHOFRAAXROSII-OLZOCXBDSA-N -1 0 372.343 2.120 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CCO1 ZINC000606441851 601669114 /nfs/dbraw/zinc/66/91/14/601669114.db2.gz NLJCAZOIWHOWPE-FOQNGQEVSA-N -1 0 359.300 2.301 50 0 FEAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000262304262 672913000 /nfs/dbraw/zinc/91/30/00/672913000.db2.gz LVVMBWAVULPVOP-UHFFFAOYSA-N -1 0 362.245 2.076 50 0 FEAARM Cc1c[nH]c(CN2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)n1 ZINC000864097280 683801173 /nfs/dbraw/zinc/80/11/73/683801173.db2.gz OHGZYOWDVLAZBQ-BDAKNGLRSA-N -1 0 358.286 2.292 50 0 FEAARM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000713442 539332429 /nfs/dbraw/zinc/33/24/29/539332429.db2.gz YRHDAVZQMSEEIT-UHFFFAOYSA-N -1 0 363.391 2.354 50 0 FEAARM O=C([O-])C[C@@H](CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000001032821 539336952 /nfs/dbraw/zinc/33/69/52/539336952.db2.gz ZRWCVASLBYKEPY-MRXNPFEDSA-N -1 0 370.405 2.213 50 0 FEAARM Cc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000001164709 539339183 /nfs/dbraw/zinc/33/91/83/539339183.db2.gz JIIJAOQTUQLXBQ-UHFFFAOYSA-N -1 0 354.453 2.476 50 0 FEAARM Cc1cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002129435 539344515 /nfs/dbraw/zinc/34/45/15/539344515.db2.gz MRKPIEDYLQYHHC-SFHVURJKSA-N -1 0 373.405 2.194 50 0 biogenic FEAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000002328036 539347012 /nfs/dbraw/zinc/34/70/12/539347012.db2.gz LTOSGTJMVNKJBK-UHFFFAOYSA-N -1 0 364.357 2.302 50 0 FEAARM NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386092 539347686 /nfs/dbraw/zinc/34/76/86/539347686.db2.gz MZRFDZFXTSDMFA-QGZVFWFLSA-N -1 0 368.389 2.244 50 0 FEAARM COc1cccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)c1 ZINC000002321594 539346781 /nfs/dbraw/zinc/34/67/81/539346781.db2.gz IBSOAMDEMHNLOZ-UHFFFAOYSA-N -1 0 359.363 2.131 50 0 FEAARM CCOC(=O)Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1C ZINC000002768331 539352678 /nfs/dbraw/zinc/35/26/78/539352678.db2.gz YDJUKJAPYGVBIC-WDEREUQCSA-N -1 0 354.428 2.387 50 0 FEAARM CCOC(=O)c1c2c(sc1NC(=O)/C=C/C(=O)[O-])COC(C)(C)C2 ZINC000002998670 539359019 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O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F ZINC000013001720 539582478 /nfs/dbraw/zinc/58/24/78/539582478.db2.gz ZJHRADXMZFQXPH-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000013092215 539583707 /nfs/dbraw/zinc/58/37/07/539583707.db2.gz DTDVTHIQJRFDHD-KRWDZBQOSA-N -1 0 352.390 2.050 50 0 FEAARM COc1cc(C)c(CN2CCN(c3ncccc3C(=O)[O-])CC2)cc1OC ZINC000013192952 539584037 /nfs/dbraw/zinc/58/40/37/539584037.db2.gz NTUIWDWDVZBGKJ-UHFFFAOYSA-N -1 0 371.437 2.428 50 0 FEAARM CCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[nH]c1=O ZINC000013407811 539587060 /nfs/dbraw/zinc/58/70/60/539587060.db2.gz LCDHOAWPPZBTDQ-UHFFFAOYSA-N -1 0 356.429 2.015 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1 ZINC000020921927 539678072 /nfs/dbraw/zinc/67/80/72/539678072.db2.gz MQJZTZCYTIIFAF-UHFFFAOYSA-N -1 0 365.436 2.182 50 0 FEAARM CC(N[C@@H](c1cccs1)c1ccc(C)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000023762914 539720936 /nfs/dbraw/zinc/72/09/36/539720936.db2.gz PBKXBAPBSUMFKL-OAHLLOKOSA-N -1 0 355.419 2.376 50 0 FEAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[N-]OCc2ccccc2)cc1 ZINC000025037381 539747667 /nfs/dbraw/zinc/74/76/67/539747667.db2.gz CSUWYOBMWGNOBD-SFHVURJKSA-N -1 0 374.462 2.396 50 0 FEAARM CCOc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OCC ZINC000001148148 219381020 /nfs/dbraw/zinc/38/10/20/219381020.db2.gz YZVLVHALVLPSIK-BJMVGYQFSA-N -1 0 355.188 2.427 50 0 FEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001149312 219381506 /nfs/dbraw/zinc/38/15/06/219381506.db2.gz KZRBFDSTNVFLBX-UHFFFAOYSA-N -1 0 370.452 2.176 50 0 FEAARM O=C([O-])C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000045795957 540228074 /nfs/dbraw/zinc/22/80/74/540228074.db2.gz SEXVNNOZIYCWRX-UHFFFAOYSA-N -1 0 364.405 2.141 50 0 FEAARM COc1cc2cc(C(=O)N[C@H](C(=O)[O-])C(C)C)n(C)c2c(OC)c1OC ZINC000004000339 209406951 /nfs/dbraw/zinc/40/69/51/209406951.db2.gz HZIPAPYKBCIHBB-ZDUSSCGKSA-N -1 0 364.398 2.043 50 0 biogenic FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccnc2)c(C)c1C ZINC000127922794 209365600 /nfs/dbraw/zinc/36/56/00/209365600.db2.gz MDVKROLBYAZZHY-GJZGRUSLSA-N -1 0 360.435 2.316 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000225403676 209364479 /nfs/dbraw/zinc/36/44/79/209364479.db2.gz VPZRNPIZIPYTEK-CYBMUJFWSA-N -1 0 363.391 2.081 50 0 FEAARM O=C([O-])CN(C(=O)/C=C/c1c(Cl)nc2ccccn21)C1CCOCC1 ZINC000238106185 209360244 /nfs/dbraw/zinc/36/02/44/209360244.db2.gz WUGGEFUGAUFLCP-SNAWJCMRSA-N -1 0 363.801 2.093 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)cc1OC ZINC000058163094 540830533 /nfs/dbraw/zinc/83/05/33/540830533.db2.gz POYCHBIMVFSDNY-UHFFFAOYSA-N -1 0 374.422 2.144 50 0 FEAARM O=C([O-])[C@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000238018081 209357634 /nfs/dbraw/zinc/35/76/34/209357634.db2.gz NNPOMKNZIZEOSU-UYAOXDASSA-N -1 0 368.433 2.220 50 0 FEAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000058494749 540845983 /nfs/dbraw/zinc/84/59/83/540845983.db2.gz RMNQMQTUVNGCHC-UHFFFAOYSA-N -1 0 363.391 2.153 50 0 FEAARM COc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc(C(=O)[O-])c1OC ZINC000045946242 209328222 /nfs/dbraw/zinc/32/82/22/209328222.db2.gz IWMYSFOYFKNGHT-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM CC(C)N1CCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1=O ZINC000065254763 541230460 /nfs/dbraw/zinc/23/04/60/541230460.db2.gz IYZKHXKIJCMOJE-UHFFFAOYSA-N -1 0 351.403 2.292 50 0 FEAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cn21 ZINC000065247283 541230514 /nfs/dbraw/zinc/23/05/14/541230514.db2.gz MEFGKQFNEZXRNO-UHFFFAOYSA-N -1 0 374.466 2.496 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)ccc1Cl ZINC000065258676 541231783 /nfs/dbraw/zinc/23/17/83/541231783.db2.gz SSCARHOLRLGUAM-UHFFFAOYSA-N -1 0 353.831 2.384 50 0 FEAARM Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000042793295 209265621 /nfs/dbraw/zinc/26/56/21/209265621.db2.gz PQAFUFFMNFZKFL-UHFFFAOYSA-N -1 0 362.407 2.196 50 0 FEAARM Cc1cc(=O)n2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)[n-]c2n1 ZINC000102726565 209241589 /nfs/dbraw/zinc/24/15/89/209241589.db2.gz DJNIDXINBAQERQ-UHFFFAOYSA-N -1 0 365.437 2.162 50 0 FEAARM Cc1cc2ncc(C(=O)N3CCC[C@H](c4nccn4C(C)C)C3)c(=O)n2[n-]1 ZINC000102361858 209234863 /nfs/dbraw/zinc/23/48/63/209234863.db2.gz CFEHYTRUAYNWLU-AWEZNQCLSA-N -1 0 368.441 2.128 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101417298 209225622 /nfs/dbraw/zinc/22/56/22/209225622.db2.gz CFAGGTXHLTVVRG-IRXDYDNUSA-N -1 0 350.378 2.231 50 0 FEAARM Cc1cccc([C@H](NC(=O)Cc2cc(=O)[nH][n-]c2=O)c2cccs2)c1 ZINC000067677799 541497977 /nfs/dbraw/zinc/49/79/77/541497977.db2.gz WJEFIFZKUOBRGG-KRWDZBQOSA-N -1 0 355.419 2.294 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000101167267 209222361 /nfs/dbraw/zinc/22/23/61/209222361.db2.gz RFSQOFVYIFSGDE-HOTGVXAUSA-N -1 0 354.341 2.328 50 0 FEAARM COc1ccc(N2C(=O)C(=C3C(=O)Nc4ccccc43)NC2=S)cc1 ZINC000100745210 209218014 /nfs/dbraw/zinc/21/80/14/209218014.db2.gz FQOALDFQVGECHF-PFONDFGASA-N -1 0 351.387 2.280 50 0 FEAARM Cc1cc(C)nc(-n2[n-]c3cc(=O)n(Cc4ccco4)c(C)c3c2=O)n1 ZINC000100143048 209210860 /nfs/dbraw/zinc/21/08/60/209210860.db2.gz OIRWXUBVHYHCEP-UHFFFAOYSA-N -1 0 351.366 2.201 50 0 FEAARM CN(C)[C@H](C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1 ZINC000067946901 541531483 /nfs/dbraw/zinc/53/14/83/541531483.db2.gz SABPYBFIIYUETK-HNNXBMFYSA-N -1 0 374.441 2.385 50 0 FEAARM CC(=O)N1CCC(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000236832003 209202292 /nfs/dbraw/zinc/20/22/92/209202292.db2.gz RYQBNTFWQBPUCE-UHFFFAOYSA-N -1 0 368.380 2.027 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000236720997 209199352 /nfs/dbraw/zinc/19/93/52/209199352.db2.gz WVRAIJDZBCNGKM-MHORFTMASA-N -1 0 358.438 2.498 50 0 FEAARM C[C@@H](COc1ccccc1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069415259 541684900 /nfs/dbraw/zinc/68/49/00/541684900.db2.gz WJIFCXCFXOMAOR-NSHDSACASA-N -1 0 355.419 2.409 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)CCC2CCCC2)cc1C ZINC000072313371 541799040 /nfs/dbraw/zinc/79/90/40/541799040.db2.gz DSFLSBYACAQXFJ-UHFFFAOYSA-N -1 0 366.483 2.195 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000072422164 541809440 /nfs/dbraw/zinc/80/94/40/541809440.db2.gz JFWLZFIHQJXCNU-UHFFFAOYSA-N -1 0 352.394 2.389 50 0 FEAARM Cc1ncncc1C(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072459069 541816691 /nfs/dbraw/zinc/81/66/91/541816691.db2.gz VXHZOWPRUFAWRL-UHFFFAOYSA-N -1 0 359.357 2.063 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)CCn3cccn3)CC2)cc1 ZINC000072480229 541821429 /nfs/dbraw/zinc/82/14/29/541821429.db2.gz CIOHDVZGNODMIM-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM C[C@@H](c1nc(C2CCCC2)nn1CC(=O)[O-])n1cnc2ccccc2c1=O ZINC000097213019 209174603 /nfs/dbraw/zinc/17/46/03/209174603.db2.gz FYMQJQARBAATED-LBPRGKRZSA-N -1 0 367.409 2.340 50 0 FEAARM CCCOc1cccc(-c2nc(=O)c(CCC(=O)N3CCCC3)n[n-]2)c1 ZINC000096281919 209148673 /nfs/dbraw/zinc/14/86/73/209148673.db2.gz CYFVADUVTPDUGU-UHFFFAOYSA-N -1 0 356.426 2.176 50 0 FEAARM CCN1C[C@@]2(CCCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C2)CCC1=O ZINC000299756412 206632788 /nfs/dbraw/zinc/63/27/88/206632788.db2.gz DRNYUQREVZNZQF-LJQANCHMSA-N -1 0 361.442 2.194 50 0 FEAARM O=C([O-])c1nc[nH]c1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000299776206 206642943 /nfs/dbraw/zinc/64/29/43/206642943.db2.gz LIMBXJIRMSLBQD-CYBMUJFWSA-N -1 0 362.817 2.328 50 0 FEAARM COc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc(OC)c1OC ZINC000001179171 206864412 /nfs/dbraw/zinc/86/44/12/206864412.db2.gz FALQYEIDTDYXKC-UHFFFAOYSA-N -1 0 361.350 2.428 50 0 FEAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004351244 207014770 /nfs/dbraw/zinc/01/47/70/207014770.db2.gz QQXZFGVYDBCLSS-RFRKOGIWSA-N -1 0 352.390 2.355 50 0 biogenic FEAARM O=Cc1cc(I)c([O-])c(I)c1 ZINC000004575735 207029592 /nfs/dbraw/zinc/02/95/92/207029592.db2.gz WHLUEIMENHLCMY-UHFFFAOYSA-N -1 0 373.915 2.414 50 0 in-vitro FEAARM CCCCCNC(=O)CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006273366 207135901 /nfs/dbraw/zinc/13/59/01/207135901.db2.gz XRDPNSPRLKGNJP-AWEZNQCLSA-N -1 0 358.467 2.441 50 0 FEAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc3ccccc3n2)C1=O ZINC000006654539 207151749 /nfs/dbraw/zinc/15/17/49/207151749.db2.gz JDQWPYOZACIYAN-FQEVSTJZSA-N -1 0 360.373 2.347 50 0 FEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000006913931 207177475 /nfs/dbraw/zinc/17/74/75/207177475.db2.gz XGDPRGOISKDIIC-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1C(=O)[O-])CC2 ZINC000013411445 207459966 /nfs/dbraw/zinc/45/99/66/207459966.db2.gz UYSSKJRDSDFXFW-UHFFFAOYSA-N -1 0 371.389 2.366 50 0 FEAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000032521246 208029077 /nfs/dbraw/zinc/02/90/77/208029077.db2.gz XUTTYKMOPQNZCI-UHFFFAOYSA-N -1 0 368.440 2.163 50 0 FEAARM CC1CCN(C(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)CC1 ZINC000033038010 208069483 /nfs/dbraw/zinc/06/94/83/208069483.db2.gz UWAQYSKWLWSXLW-UHFFFAOYSA-N -1 0 366.421 2.356 50 0 FEAARM Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)[O-])C3)s2)cc1 ZINC000034927194 208117943 /nfs/dbraw/zinc/11/79/43/208117943.db2.gz CGPQJYDKNPAQEB-NSHDSACASA-N -1 0 374.422 2.036 50 0 FEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 ZINC000299742049 208337721 /nfs/dbraw/zinc/33/77/21/208337721.db2.gz GNJFHKRIMBHRLG-CYBMUJFWSA-N -1 0 364.199 2.324 50 0 FEAARM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299747640 208342788 /nfs/dbraw/zinc/34/27/88/208342788.db2.gz DNDCSSWGUPCKKQ-OCCSQVGLSA-N -1 0 370.243 2.330 50 0 FEAARM O=C([O-])COc1cccc(CNC(=O)[C@H]2CSc3ccccc3O2)c1 ZINC000299747733 208342833 /nfs/dbraw/zinc/34/28/33/208342833.db2.gz DWIRHIMUHADYSP-OAHLLOKOSA-N -1 0 359.403 2.320 50 0 FEAARM Cc1oc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000299748991 208355013 /nfs/dbraw/zinc/35/50/13/208355013.db2.gz IUHKUYBQDWOWMJ-UHFFFAOYSA-N -1 0 372.377 2.108 50 0 FEAARM COc1ccc(CCC(=O)N(CCC(=O)[O-])C2CCOCC2)cc1F ZINC000299749091 208355319 /nfs/dbraw/zinc/35/53/19/208355319.db2.gz JFNJDPLTKKYDNM-UHFFFAOYSA-N -1 0 353.390 2.249 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000299751080 208361315 /nfs/dbraw/zinc/36/13/15/208361315.db2.gz PKSOKGLINWJEOF-LXZKKBNFSA-N -1 0 354.406 2.246 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1csc(-c2ncccn2)n1 ZINC000299753361 208363358 /nfs/dbraw/zinc/36/33/58/208363358.db2.gz XZFIVMMMJNSKFQ-WXHSDQCUSA-N -1 0 358.423 2.458 50 0 FEAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)C1=Cc3ccccc3OC=C1)C2 ZINC000067431726 208704332 /nfs/dbraw/zinc/70/43/32/208704332.db2.gz CMPCUVVVHDILRJ-UHFFFAOYSA-N -1 0 365.389 2.476 50 0 FEAARM COc1ccccc1[C@@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@H]1C(=O)[O-] ZINC000091663658 208988198 /nfs/dbraw/zinc/98/81/98/208988198.db2.gz DEYBBVHTJWSNDW-JKSUJKDBSA-N -1 0 357.410 2.413 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)ccc2=O)C1 ZINC000095992034 209093607 /nfs/dbraw/zinc/09/36/07/209093607.db2.gz MDGCHVMJFCZDRM-ZDUSSCGKSA-N -1 0 373.384 2.089 50 0 FEAARM CCCCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)C(=O)[O-] ZINC000095989695 209093461 /nfs/dbraw/zinc/09/34/61/209093461.db2.gz VHEKBMBNFAQOBI-CQSZACIVSA-N -1 0 356.444 2.212 50 0 FEAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)(C)C)cc(C(=O)[O-])c12 ZINC000095095764 209021585 /nfs/dbraw/zinc/02/15/85/209021585.db2.gz XLMNRNHLAJSLBR-JTQLQIEISA-N -1 0 351.428 2.095 50 0 FEAARM Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095366025 209031404 /nfs/dbraw/zinc/03/14/04/209031404.db2.gz SCMKIYHCQLFQGR-CYBMUJFWSA-N -1 0 364.829 2.186 50 0 FEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c(OC)c1 ZINC000095372959 209035642 /nfs/dbraw/zinc/03/56/42/209035642.db2.gz UTNWOEXAKRMTJR-IBGZPJMESA-N -1 0 371.437 2.042 50 0 FEAARM Cc1cccnc1CN1CCN([C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000095379142 209039594 /nfs/dbraw/zinc/03/95/94/209039594.db2.gz JBUQUWVEZBRKKN-LJQANCHMSA-N -1 0 369.421 2.062 50 0 FEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)COCCOc1ccccc1 ZINC000095425241 209049727 /nfs/dbraw/zinc/04/97/27/209049727.db2.gz RNKGOAXRJVBFFX-UHFFFAOYSA-N -1 0 359.378 2.493 50 0 FEAARM Cn1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Br ZINC000095460463 209054202 /nfs/dbraw/zinc/05/42/02/209054202.db2.gz WGWHWAXZSNFMJY-UHFFFAOYSA-N -1 0 352.160 2.262 50 0 FEAARM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCN(c3cccc(C)n3)CC2)c1 ZINC000095390939 132210344 /nfs/dbraw/zinc/21/03/44/132210344.db2.gz PFBMHCFTAVLWGO-IBGZPJMESA-N -1 0 371.437 2.355 50 0 FEAARM O=C([O-])[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000095960917 132216210 /nfs/dbraw/zinc/21/62/10/132216210.db2.gz UJSIDDXJFSCUSV-CQSZACIVSA-N -1 0 351.834 2.417 50 0 FEAARM O=C([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000003884874 132385877 /nfs/dbraw/zinc/38/58/77/132385877.db2.gz ARVDWLWJSODXRD-UHFFFAOYSA-N -1 0 364.398 2.035 50 0 FEAARM CO[N-]C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C ZINC000089662704 542768519 /nfs/dbraw/zinc/76/85/19/542768519.db2.gz CYRNIPVHSNHGML-INIZCTEOSA-N -1 0 374.441 2.045 50 0 FEAARM O=C([O-])C1(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CCCCC1 ZINC000089779618 542770622 /nfs/dbraw/zinc/77/06/22/542770622.db2.gz FJNVWGHUYUOZFN-HNNXBMFYSA-N -1 0 360.410 2.321 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091304834 542804116 /nfs/dbraw/zinc/80/41/16/542804116.db2.gz JBBCQOQXQJJFQR-UONOGXRCSA-N -1 0 359.403 2.346 50 0 FEAARM Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)cc1 ZINC000091656440 542818231 /nfs/dbraw/zinc/81/82/31/542818231.db2.gz JZACBNQGOKBJJU-OAHLLOKOSA-N -1 0 358.438 2.313 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1ccc(F)cc1 ZINC000095530880 209078918 /nfs/dbraw/zinc/07/89/18/209078918.db2.gz XEGWEXUEWZRCKG-MRXNPFEDSA-N -1 0 354.341 2.352 50 0 FEAARM Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)n[nH]1 ZINC000262703577 328882427 /nfs/dbraw/zinc/88/24/27/328882427.db2.gz CSXVCSTUYQPJRV-HNNXBMFYSA-N -1 0 356.382 2.050 50 0 FEAARM CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2OC)[C@H](C(=O)[O-])C1 ZINC000091452444 522581816 /nfs/dbraw/zinc/58/18/16/522581816.db2.gz AYTPXSDVKVAGJX-JKSUJKDBSA-N -1 0 371.437 2.171 50 0 FEAARM CCc1noc(CC)c1CNC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000079070752 522894508 /nfs/dbraw/zinc/89/45/08/522894508.db2.gz SPOJWTIBGIZYKQ-UHFFFAOYSA-N -1 0 365.455 2.491 50 0 FEAARM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000269165008 523688747 /nfs/dbraw/zinc/68/87/47/523688747.db2.gz DXMOLCDBLQXXLO-ZDUSSCGKSA-N -1 0 372.425 2.164 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000262438351 526322164 /nfs/dbraw/zinc/32/21/64/526322164.db2.gz NMKGISPOCHQCBF-VIFPVBQESA-N -1 0 370.199 2.157 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000262400019 526333157 /nfs/dbraw/zinc/33/31/57/526333157.db2.gz ALCULLXPKZSDRF-SNVBAGLBSA-N -1 0 354.156 2.121 50 0 FEAARM O=C([O-])c1csc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000268911255 526407158 /nfs/dbraw/zinc/40/71/58/526407158.db2.gz WJTLEYTXCLYJIR-UHFFFAOYSA-N -1 0 368.798 2.125 50 0 FEAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cc(F)c(F)c(F)c2)CCC(=O)N1 ZINC000218236190 527600559 /nfs/dbraw/zinc/60/05/59/527600559.db2.gz VGYQTPVROURCKS-KRWDZBQOSA-N -1 0 372.343 2.014 50 0 FEAARM C[C@H](CN(C(=O)CCC(=O)N1CCc2sccc2C1)C1CC1)C(=O)[O-] ZINC000170592297 546161796 /nfs/dbraw/zinc/16/17/96/546161796.db2.gz SYRWIWVAUFRMDM-GFCCVEGCSA-N -1 0 364.467 2.125 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000178259125 546765800 /nfs/dbraw/zinc/76/58/00/546765800.db2.gz AJFDFKWYFXMZJH-JTQLQIEISA-N -1 0 364.199 2.182 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000217521276 548682152 /nfs/dbraw/zinc/68/21/52/548682152.db2.gz MKVMPMTXDKMQLI-QGZVFWFLSA-N -1 0 366.348 2.319 50 0 FEAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000238028116 548872916 /nfs/dbraw/zinc/87/29/16/548872916.db2.gz ORUDNMHOJPNTSU-AWEZNQCLSA-N -1 0 350.802 2.016 50 0 FEAARM COCc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)sc2cccc(F)c21 ZINC000263035970 549872623 /nfs/dbraw/zinc/87/26/23/549872623.db2.gz VFGSEJNFWDZOFQ-LLVKDONJSA-N -1 0 353.371 2.112 50 0 FEAARM COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263223152 549886976 /nfs/dbraw/zinc/88/69/76/549886976.db2.gz RBHRAMMQBHJSAF-SECBINFHSA-N -1 0 367.345 2.199 50 0 FEAARM C[C@@H]1Oc2c(cccc2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])NC1=O ZINC000268888238 550127343 /nfs/dbraw/zinc/12/73/43/550127343.db2.gz DCPXQVKKSMLHBI-MEDUHNTESA-N -1 0 366.373 2.058 50 0 FEAARM O=C(c1cccc(Br)c1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299148745 553521694 /nfs/dbraw/zinc/52/16/94/553521694.db2.gz YMXJRBIFOBEWKM-QMMMGPOBSA-N -1 0 369.194 2.019 50 0 FEAARM C[N+](=O)c1ccc([O-])c(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1 ZINC000299738351 553609909 /nfs/dbraw/zinc/60/99/09/553609909.db2.gz ZEQXHNYILIASQV-UHFFFAOYSA-O -1 0 354.342 2.242 50 0 FEAARM Cn1cnnc1SCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000299794542 553615615 /nfs/dbraw/zinc/61/56/15/553615615.db2.gz KGBCJOYHEZLXJZ-CQSZACIVSA-N -1 0 360.439 2.012 50 0 FEAARM O=S(=O)([N-]c1nc(C(F)(F)F)co1)c1ccc2c(c1)OCCO2 ZINC000328593973 553794510 /nfs/dbraw/zinc/79/45/10/553794510.db2.gz FIDFJCQNLCNUAP-UHFFFAOYSA-N -1 0 350.274 2.265 50 0 FEAARM COCc1[nH]nc(C)c1-c1cccc(C(=O)N[C@H](C)c2n[n-]c(=N)s2)c1 ZINC000534663999 562539753 /nfs/dbraw/zinc/53/97/53/562539753.db2.gz RFRKFBXPSLYEQH-SNVBAGLBSA-N -1 0 372.454 2.456 50 0 FEAARM Cc1cc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)nc(C)c1C(=O)[O-] ZINC000584902116 570511000 /nfs/dbraw/zinc/51/10/00/570511000.db2.gz NUPDGLPJPBHTKO-OAHLLOKOSA-N -1 0 367.405 2.072 50 0 FEAARM CCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000045896181 570913465 /nfs/dbraw/zinc/91/34/65/570913465.db2.gz GVPZJLVCBAYVRM-AWEZNQCLSA-N -1 0 357.370 2.004 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)c(Br)o1 ZINC000049735251 570965266 /nfs/dbraw/zinc/96/52/66/570965266.db2.gz ADLBFISIVQJBPK-UHFFFAOYSA-N -1 0 372.196 2.492 50 0 FEAARM O=C([O-])[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000575442762 571151952 /nfs/dbraw/zinc/15/19/52/571151952.db2.gz XFBCZXZPQYPTLE-HOMQSWHASA-N -1 0 362.245 2.371 50 0 FEAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000426421376 571223084 /nfs/dbraw/zinc/22/30/84/571223084.db2.gz YSKSLZXPIILKMI-MRXNPFEDSA-N -1 0 366.421 2.329 50 0 FEAARM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000606237996 600414053 /nfs/dbraw/zinc/41/40/53/600414053.db2.gz YGNWGBGZCXNUHX-UHFFFAOYSA-N -1 0 355.394 2.173 50 0 FEAARM O=C([O-])[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)c1ccc(Cl)c(F)c1 ZINC000649246536 677328190 /nfs/dbraw/zinc/32/81/90/677328190.db2.gz LYXRHCFAGHQJLC-BONVTDFDSA-N -1 0 363.776 2.316 50 0 FEAARM C[C@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CO1 ZINC000668291985 679162655 /nfs/dbraw/zinc/16/26/55/679162655.db2.gz ZVCFKVYDHAKGDB-CMPLNLGQSA-N -1 0 356.216 2.287 50 0 FEAARM COC[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000668302972 679163497 /nfs/dbraw/zinc/16/34/97/679163497.db2.gz VVVSFWSFQOHRPC-CHWSQXEVSA-N -1 0 372.215 2.071 50 0 FEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F ZINC000000652071 539331591 /nfs/dbraw/zinc/33/15/91/539331591.db2.gz QDYXPBDOAWYGEO-UHFFFAOYSA-N -1 0 351.331 2.445 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000001028738 539337255 /nfs/dbraw/zinc/33/72/55/539337255.db2.gz NENJTMBOIMSWGF-UHFFFAOYSA-N -1 0 353.371 2.320 50 0 FEAARM CC[C@H](NC(=O)CCc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-] ZINC000002113036 539344617 /nfs/dbraw/zinc/34/46/17/539344617.db2.gz HWZFRSHCTCVURL-LBPRGKRZSA-N -1 0 367.785 2.372 50 0 biogenic FEAARM CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002569785 539349986 /nfs/dbraw/zinc/34/99/86/539349986.db2.gz IILDIIAZNITTLB-CYBMUJFWSA-N -1 0 352.387 2.281 50 0 FEAARM O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000002775023 539352811 /nfs/dbraw/zinc/35/28/11/539352811.db2.gz PMCRVPTUOGKMHL-UHFFFAOYSA-N -1 0 350.350 2.405 50 0 FEAARM O=C([O-])c1ccc(COc2ccccc2C=C2NC(=S)NC2=O)cc1 ZINC000003273978 539362073 /nfs/dbraw/zinc/36/20/73/539362073.db2.gz QXVRTLXUYOKUKO-ZROIWOOFSA-N -1 0 354.387 2.309 50 0 FEAARM CC(C)[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004093763 539376371 /nfs/dbraw/zinc/37/63/71/539376371.db2.gz LVCQXRXPNQGPBM-SYCZXOQXSA-N -1 0 356.378 2.276 50 0 biogenic FEAARM COc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000007053852 539445606 /nfs/dbraw/zinc/44/56/06/539445606.db2.gz RSIBKDDMAFJMLH-UHFFFAOYSA-N -1 0 367.379 2.211 50 0 FEAARM C/C(NN1CCCCCC1)=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009319255 539500519 /nfs/dbraw/zinc/50/05/19/539500519.db2.gz FEDPSLICFOUGTJ-JQIJEIRASA-N -1 0 356.426 2.232 50 0 FEAARM CCCNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(OC)cc2)n1 ZINC000009828626 539507731 /nfs/dbraw/zinc/50/77/31/539507731.db2.gz ZNIXPPFYFXKDDZ-UHFFFAOYSA-N -1 0 369.468 2.021 50 0 FEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000010274231 539515080 /nfs/dbraw/zinc/51/50/80/539515080.db2.gz CDXONDYCGVBCRE-UHFFFAOYSA-N -1 0 372.402 2.424 50 0 FEAARM C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCO1 ZINC000011504102 539529453 /nfs/dbraw/zinc/52/94/53/539529453.db2.gz XYLZHSQMJJXQQY-LBPRGKRZSA-N -1 0 366.464 2.410 50 0 FEAARM CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000012662866 539568668 /nfs/dbraw/zinc/56/86/68/539568668.db2.gz UTDOUDMTSCJWPW-BTDLBPIBSA-N -1 0 361.394 2.268 50 0 FEAARM COc1ccc(CCNC(=O)COc2cccc(C(=O)[O-])c2)cc1OC ZINC000013080024 539583553 /nfs/dbraw/zinc/58/35/53/539583553.db2.gz DYPHTCWKHDKASV-UHFFFAOYSA-N -1 0 359.378 2.140 50 0 FEAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)N1CCCCC1 ZINC000013453937 539587616 /nfs/dbraw/zinc/58/76/16/539587616.db2.gz SWUPOTIUECMCSF-UHFFFAOYSA-N -1 0 359.451 2.171 50 0 FEAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 ZINC000013831869 539592256 /nfs/dbraw/zinc/59/22/56/539592256.db2.gz GLRLETCXFWLLIY-KHQFGBGNSA-N -1 0 369.807 2.316 50 0 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O=C([O-])C1(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCCCC1 ZINC000262393591 527557724 /nfs/dbraw/zinc/55/77/24/527557724.db2.gz GEQIEKUDEDZZKI-UHFFFAOYSA-N -1 0 365.817 2.387 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000091293096 527636417 /nfs/dbraw/zinc/63/64/17/527636417.db2.gz DILOOAOACPEUGS-VIFPVBQESA-N -1 0 362.607 2.418 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 ZINC000262862749 527636476 /nfs/dbraw/zinc/63/64/76/527636476.db2.gz WTXDOWHYSUTCLM-LBPRGKRZSA-N -1 0 361.316 2.220 50 0 FEAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(c3ncnc4[nH]ccc43)CC2)n1 ZINC000072433201 535376674 /nfs/dbraw/zinc/37/66/74/535376674.db2.gz DHACMZKXJCGLLV-UHFFFAOYSA-N -1 0 354.414 2.358 50 0 FEAARM CCCc1cnc(C)nc1N1CCC2(C[C@H](C(=O)[O-])N(C(C)=O)C2)CC1 ZINC000072161274 535437628 /nfs/dbraw/zinc/43/76/28/535437628.db2.gz RHQGSEAOIFVMKC-MRXNPFEDSA-N -1 0 360.458 2.030 50 0 FEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN1C(=O)CSc2ccccc21 ZINC000299752029 536465879 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570812121 /nfs/dbraw/zinc/81/21/21/570812121.db2.gz KTHHNSUNNDJPIK-NSHDSACASA-N -1 0 352.799 2.389 50 0 FEAARM O=C(c1ccc(C(F)(F)F)cc1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990483 570842655 /nfs/dbraw/zinc/84/26/55/570842655.db2.gz BEZOPBLAYQAUJV-UHFFFAOYSA-N -1 0 362.311 2.240 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000048332707 570946926 /nfs/dbraw/zinc/94/69/26/570946926.db2.gz DMNIHLJYMVQTMZ-UHFFFAOYSA-N -1 0 357.334 2.401 50 0 FEAARM O=C(C[C@H]1CCOc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000118148471 571175577 /nfs/dbraw/zinc/17/55/77/571175577.db2.gz DBSQCZVOAKQBDP-LLVKDONJSA-N -1 0 366.826 2.496 50 0 FEAARM COc1cccc(F)c1C(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426465089 571226299 /nfs/dbraw/zinc/22/62/99/571226299.db2.gz FAWYQJCOZVVTPC-GFCCVEGCSA-N -1 0 361.373 2.135 50 0 FEAARM Cc1cnc2c(cccc2S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1 ZINC000585124123 571320689 /nfs/dbraw/zinc/32/06/89/571320689.db2.gz HRUSZADANJXZOV-LLVKDONJSA-N -1 0 356.350 2.026 50 0 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370.434 2.030 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000013005293 539582662 /nfs/dbraw/zinc/58/26/62/539582662.db2.gz MCSWJZPUYLPVAK-GJZGRUSLSA-N -1 0 353.382 2.281 50 0 FEAARM CCCCc1ccc2nc(NC(=O)Cn3[n-]c(=O)ccc3=O)sc2c1 ZINC000013100373 539583591 /nfs/dbraw/zinc/58/35/91/539583591.db2.gz ILECZNPWPYWFKN-UHFFFAOYSA-N -1 0 358.423 2.128 50 0 FEAARM CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000013257621 539584826 /nfs/dbraw/zinc/58/48/26/539584826.db2.gz HRRPBKCBMNYLGH-HNNXBMFYSA-N -1 0 365.382 2.175 50 0 FEAARM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000013261813 539584838 /nfs/dbraw/zinc/58/48/38/539584838.db2.gz ZPUSJNHISLMBKB-LBPRGKRZSA-N -1 0 350.802 2.016 50 0 FEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccs2)cc1OC ZINC000013344338 539586825 /nfs/dbraw/zinc/58/68/25/539586825.db2.gz WFPYVPVVFGVRRC-LLVKDONJSA-N -1 0 371.436 2.260 50 0 FEAARM CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)OC)C1 ZINC000017073453 539639055 /nfs/dbraw/zinc/63/90/55/539639055.db2.gz MPZLABOTALXCDG-VIFPVBQESA-N -1 0 355.412 2.089 50 0 FEAARM Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1 ZINC000016577671 539633148 /nfs/dbraw/zinc/63/31/48/539633148.db2.gz JTTRBAFTSLEWKT-UHFFFAOYSA-N -1 0 374.462 2.409 50 0 FEAARM CC[C@@H](C)n1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020611939 539675883 /nfs/dbraw/zinc/67/58/83/539675883.db2.gz XWJGEPHQRHMSAS-DIFFPNOSSA-N -1 0 368.437 2.272 50 0 FEAARM COc1cccc(N2C(=O)C[C@@H](Nc3cc(C(=O)[O-])ccc3C)C2=O)c1 ZINC000023732490 539719693 /nfs/dbraw/zinc/71/96/93/539719693.db2.gz PPMIYQGSNAXPSO-MRXNPFEDSA-N -1 0 354.362 2.446 50 0 FEAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000001136644 219378483 /nfs/dbraw/zinc/37/84/83/219378483.db2.gz FAHLSSXYLSAWQM-UHFFFAOYSA-N -1 0 374.418 2.422 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000025572634 209740162 /nfs/dbraw/zinc/74/01/62/209740162.db2.gz ADGQSEUNWXQFPE-QGZVFWFLSA-N -1 0 352.390 2.475 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CC=CCC2)c(Br)o1 ZINC000055329844 540646986 /nfs/dbraw/zinc/64/69/86/540646986.db2.gz BXJUUUBKMYOWKG-QMMMGPOBSA-N -1 0 364.217 2.375 50 0 FEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CCSCc1ccc(F)cc1 ZINC000055326170 540647401 /nfs/dbraw/zinc/64/74/01/540647401.db2.gz CJNQYZWNEAHKNY-HNNXBMFYSA-N -1 0 363.414 2.210 50 0 FEAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(F)cc1Cl ZINC000055601834 540663127 /nfs/dbraw/zinc/66/31/27/540663127.db2.gz JJXPZHRXXFVGNW-UHFFFAOYSA-N -1 0 353.766 2.256 50 0 FEAARM COc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000055651057 540667971 /nfs/dbraw/zinc/66/79/71/540667971.db2.gz UTIORMFOZAVNHJ-UHFFFAOYSA-N -1 0 351.380 2.227 50 0 FEAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000057512898 540800572 /nfs/dbraw/zinc/80/05/72/540800572.db2.gz AOPOLNWKPDKYFB-UHFFFAOYSA-N -1 0 358.419 2.315 50 0 FEAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000057512870 540800779 /nfs/dbraw/zinc/80/07/79/540800779.db2.gz IQQYFNGVFXSJNK-UHFFFAOYSA-N -1 0 362.407 2.389 50 0 FEAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000124608456 209362766 /nfs/dbraw/zinc/36/27/66/209362766.db2.gz YWXKKJOETGKHPL-TZMCWYRMSA-N -1 0 356.378 2.204 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ncoc1-c1cccs1 ZINC000238095181 209360624 /nfs/dbraw/zinc/36/06/24/209360624.db2.gz HEPHSCPZTMTTKF-NSHDSACASA-N -1 0 350.396 2.499 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3F)o2)CCO1 ZINC000238195757 209359879 /nfs/dbraw/zinc/35/98/79/209359879.db2.gz GWABBWKTCALZAM-GFCCVEGCSA-N -1 0 362.357 2.115 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000237969283 209355360 /nfs/dbraw/zinc/35/53/60/209355360.db2.gz AANBJPUCKJSOEU-MSOLQXFVSA-N -1 0 366.417 2.367 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccnc3)c2)c(C)c1 ZINC000058209190 540833325 /nfs/dbraw/zinc/83/33/25/540833325.db2.gz BFHFTLGSLAJPDO-UHFFFAOYSA-N -1 0 358.423 2.444 50 0 FEAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cnn1-c1ccccc1 ZINC000237731366 209353799 /nfs/dbraw/zinc/35/37/99/209353799.db2.gz RWSVHVKWKISWGF-MRXNPFEDSA-N -1 0 357.410 2.277 50 0 FEAARM Cc1cc(-n2cncn2)ccc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237805653 209353913 /nfs/dbraw/zinc/35/39/13/209353913.db2.gz WNHMOVXFXXPCHM-SFHVURJKSA-N -1 0 362.389 2.227 50 0 FEAARM Cc1nn(-c2ccc(C(=O)N[C@]3(C)CCOC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237670647 209353011 /nfs/dbraw/zinc/35/30/11/209353011.db2.gz GEDBDJDTALVTFC-HXUWFJFHSA-N -1 0 371.437 2.415 50 0 FEAARM O=S(=O)([N-]c1cccnc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000058441027 540843261 /nfs/dbraw/zinc/84/32/61/540843261.db2.gz BDZVCQXMMNBCPP-UHFFFAOYSA-N -1 0 355.423 2.342 50 0 FEAARM C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(Br)s1 ZINC000237456314 209348113 /nfs/dbraw/zinc/34/81/13/209348113.db2.gz GDVYLWSSXNAFFT-BDAKNGLRSA-N -1 0 362.245 2.316 50 0 FEAARM C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(Br)s1 ZINC000237411219 209347467 /nfs/dbraw/zinc/34/74/67/209347467.db2.gz GDVYLWSSXNAFFT-IUCAKERBSA-N -1 0 362.245 2.316 50 0 FEAARM CCN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065254709 541230368 /nfs/dbraw/zinc/23/03/68/541230368.db2.gz FZJKIZMJDHGSSV-UHFFFAOYSA-N -1 0 355.366 2.043 50 0 FEAARM CN1CCCn2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065258724 541231354 /nfs/dbraw/zinc/23/13/54/541231354.db2.gz VLBXNGXJPJWJTE-UHFFFAOYSA-N -1 0 355.366 2.043 50 0 FEAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1=O ZINC000065258778 541231448 /nfs/dbraw/zinc/23/14/48/541231448.db2.gz BSNXSLTVUHWBJQ-UHFFFAOYSA-N -1 0 351.403 2.294 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cccc2c1OCCO2 ZINC000065644627 541251202 /nfs/dbraw/zinc/25/12/02/541251202.db2.gz ZOCICMVHMICGBY-UHFFFAOYSA-N -1 0 353.783 2.230 50 0 FEAARM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000041616196 209240281 /nfs/dbraw/zinc/24/02/81/209240281.db2.gz ARRUJLNHHYPLKW-UHFFFAOYSA-N -1 0 369.328 2.189 50 0 FEAARM Cn1c(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2[n-]c1=S ZINC000102171223 209233319 /nfs/dbraw/zinc/23/33/19/209233319.db2.gz NGGKVAQDVDNJEM-UHFFFAOYSA-N -1 0 357.410 2.334 50 0 FEAARM Cc1cc(C)c2[nH]c(=O)c([C@@H]3CC(=O)Nc4[nH]nc(C(=O)[O-])c43)cc2c1 ZINC000067723740 541504805 /nfs/dbraw/zinc/50/48/05/541504805.db2.gz RNIIYDPLIXQJPQ-JTQLQIEISA-N -1 0 352.350 2.040 50 0 FEAARM O=C([O-])c1cc(-c2ccsc2)cc(S(=O)(=O)N2CCOCC2)c1 ZINC000071736373 541769310 /nfs/dbraw/zinc/76/93/10/541769310.db2.gz WJBISSWLSBFCME-UHFFFAOYSA-N -1 0 353.421 2.134 50 0 FEAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1nc(-c3ccccc3)no1)CC2 ZINC000072137228 541786219 /nfs/dbraw/zinc/78/62/19/541786219.db2.gz SEQVXBLDLFRNPF-OAHLLOKOSA-N -1 0 370.409 2.029 50 0 FEAARM COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)cc1C ZINC000072152430 541789760 /nfs/dbraw/zinc/78/97/60/541789760.db2.gz IWDLHNSNOZIOOZ-CYBMUJFWSA-N -1 0 357.410 2.476 50 0 FEAARM Cc1ccccc1C(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)C1CC1)CC2 ZINC000072433111 541813374 /nfs/dbraw/zinc/81/33/74/541813374.db2.gz ZRUBLDPDEDCXET-KRWDZBQOSA-N -1 0 370.449 2.313 50 0 FEAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)Cc3ccccn3)CC2)c1 ZINC000072470426 541818698 /nfs/dbraw/zinc/81/86/98/541818698.db2.gz HNWLSAMRJZUWSF-UHFFFAOYSA-N -1 0 354.406 2.457 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000072475013 541819448 /nfs/dbraw/zinc/81/94/48/541819448.db2.gz WVXRRJNJGVDHJA-UHFFFAOYSA-N -1 0 350.378 2.147 50 0 FEAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC2(CC1)OCCC[C@H]2O ZINC000097295354 209176852 /nfs/dbraw/zinc/17/68/52/209176852.db2.gz SICPKZGCZPWUJH-MRXNPFEDSA-N -1 0 360.385 2.226 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)C=Cc1ccccc1 ZINC000096991332 209165640 /nfs/dbraw/zinc/16/56/40/209165640.db2.gz HVHBKIXJIXUBAP-NTMALXAHSA-N -1 0 361.448 2.417 50 0 FEAARM C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004029836 206997927 /nfs/dbraw/zinc/99/79/27/206997927.db2.gz AQAFOSZWMMKKCF-WDEREUQCSA-N -1 0 359.378 2.028 50 0 biogenic FEAARM COc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000004241840 207009903 /nfs/dbraw/zinc/00/99/03/207009903.db2.gz DCFDOKBNIXUWKP-OAHLLOKOSA-N -1 0 350.415 2.374 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000004202587 207007639 /nfs/dbraw/zinc/00/76/39/207007639.db2.gz MKXMXZZARNRMMQ-AWEZNQCLSA-N -1 0 364.398 2.329 50 0 FEAARM CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c1C ZINC000004390266 207018020 /nfs/dbraw/zinc/01/80/20/207018020.db2.gz JYFOJZFTRBMWKP-UHFFFAOYSA-N -1 0 359.382 2.469 50 0 FEAARM Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[n-]c1=O ZINC000004457809 207019373 /nfs/dbraw/zinc/01/93/73/207019373.db2.gz QXDGJGJXAMCANQ-UHFFFAOYSA-N -1 0 359.436 2.328 50 0 FEAARM O=C([O-])COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000004741054 207044136 /nfs/dbraw/zinc/04/41/36/207044136.db2.gz JSEJJXXCBOJQHY-UHFFFAOYSA-N -1 0 355.799 2.282 50 0 FEAARM COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000005103651 207079687 /nfs/dbraw/zinc/07/96/87/207079687.db2.gz UNRLELSKZAXZJI-VLURKWGBSA-N -1 0 368.389 2.055 50 0 FEAARM COc1ccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nnn[n-]2)cc1 ZINC000005484085 207102066 /nfs/dbraw/zinc/10/20/66/207102066.db2.gz XHNFTJMOUHZMKW-CQSZACIVSA-N -1 0 353.382 2.182 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c(OC)c1 ZINC000005483626 207102776 /nfs/dbraw/zinc/10/27/76/207102776.db2.gz MKZSIHTWWZACIK-ZDUSSCGKSA-N -1 0 371.372 2.321 50 0 FEAARM CCCn1c2ccc(S(=O)(=O)N3CCCC3)cc2nc1CCC(=O)[O-] ZINC000006122994 207130076 /nfs/dbraw/zinc/13/00/76/207130076.db2.gz WDHODBQJCGHURZ-UHFFFAOYSA-N -1 0 365.455 2.248 50 0 FEAARM CC[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146333 207132229 /nfs/dbraw/zinc/13/22/29/207132229.db2.gz RLXFJLAFBHRVGP-CYBMUJFWSA-N -1 0 366.414 2.127 50 0 FEAARM O=C(O[C@H]1CCOC1=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006438232 207140545 /nfs/dbraw/zinc/14/05/45/207140545.db2.gz GBQLSBAZEMYALU-LBPRGKRZSA-N -1 0 367.404 2.021 50 0 FEAARM Cc1ccnc(SCc2cc(=O)c3c([n-]n(-c4ccccc4)c3=O)[nH]2)n1 ZINC000009170515 207259253 /nfs/dbraw/zinc/25/92/53/207259253.db2.gz CZESYTLLQRKKPC-UHFFFAOYSA-N -1 0 365.418 2.398 50 0 FEAARM C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000009805559 207286150 /nfs/dbraw/zinc/28/61/50/207286150.db2.gz OPUOIGWECVVBDR-HNNXBMFYSA-N -1 0 360.454 2.227 50 0 FEAARM Cc1c2c(cc(=O)n1Cc1ccncc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012325144 207361719 /nfs/dbraw/zinc/36/17/19/207361719.db2.gz SGRGRQBGPFAMPG-UHFFFAOYSA-N -1 0 350.353 2.371 50 0 FEAARM COc1cc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc(OC)c1OC ZINC000012409463 207371906 /nfs/dbraw/zinc/37/19/06/207371906.db2.gz CMKSIMVJKNDLRP-VIFPVBQESA-N -1 0 373.361 2.012 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000012544792 207391031 /nfs/dbraw/zinc/39/10/31/207391031.db2.gz FKYMUUAYWHKLIH-UHFFFAOYSA-N -1 0 374.465 2.033 50 0 FEAARM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSCCC(=O)[O-] ZINC000012743428 207414027 /nfs/dbraw/zinc/41/40/27/207414027.db2.gz KZNQZHLXTGFRNN-UHFFFAOYSA-N -1 0 361.467 2.372 50 0 FEAARM O=C([O-])CCC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 ZINC000018219250 207632363 /nfs/dbraw/zinc/63/23/63/207632363.db2.gz JWLAIIWAJIOGBS-KRWDZBQOSA-N -1 0 357.341 2.288 50 0 FEAARM CCCOc1ccc(-c2nnc(CCC(=O)NC(C)C)c(=O)[n-]2)cc1OC ZINC000034767165 208109816 /nfs/dbraw/zinc/10/98/16/208109816.db2.gz QTUJTSQUTBNUKH-UHFFFAOYSA-N -1 0 374.441 2.499 50 0 FEAARM COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)cc2)o1 ZINC000036612343 208166061 /nfs/dbraw/zinc/16/60/61/208166061.db2.gz QCTNMYCHYJTWCU-ZFWWWQNUSA-N -1 0 363.391 2.433 50 0 FEAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(Br)c1 ZINC000037591603 208184014 /nfs/dbraw/zinc/18/40/14/208184014.db2.gz YZKBHJUZNODEKC-SECBINFHSA-N -1 0 350.234 2.323 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 ZINC000238194957 209360925 /nfs/dbraw/zinc/36/09/25/209360925.db2.gz FMVOGLVERYTXLQ-CYBMUJFWSA-N -1 0 368.227 2.183 50 0 FEAARM CSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000041156664 208283247 /nfs/dbraw/zinc/28/32/47/208283247.db2.gz HQTPLMXAMMOLNA-NSHDSACASA-N -1 0 351.815 2.278 50 0 FEAARM COc1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000299746234 208343339 /nfs/dbraw/zinc/34/33/39/208343339.db2.gz VYMMEKPXEGXVFL-UHFFFAOYSA-N -1 0 357.362 2.024 50 0 FEAARM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000299748935 208354271 /nfs/dbraw/zinc/35/42/71/208354271.db2.gz INXHQSRAZSXGBK-HNNXBMFYSA-N -1 0 373.796 2.311 50 0 FEAARM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cccc1N1CCNC1=O ZINC000299748319 208355032 /nfs/dbraw/zinc/35/50/32/208355032.db2.gz GWSPPWQGIILXRJ-MRXNPFEDSA-N -1 0 367.405 2.470 50 0 FEAARM COc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc(OC)c1C ZINC000299753439 208361057 /nfs/dbraw/zinc/36/10/57/208361057.db2.gz YFZNRAVASFQXQX-CQSZACIVSA-N -1 0 351.399 2.108 50 0 FEAARM Cc1ccccc1-c1noc(CCCC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000072133161 208804056 /nfs/dbraw/zinc/80/40/56/208804056.db2.gz VJFCXBLDNVPYTC-CQSZACIVSA-N -1 0 373.409 2.070 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H](C)n3cccc3)CC2)cn1 ZINC000072481020 208874979 /nfs/dbraw/zinc/87/49/79/208874979.db2.gz YOSGWZPIHSLNGI-OAHLLOKOSA-N -1 0 357.410 2.277 50 0 FEAARM COCc1ncc(CN2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)cn1 ZINC000082096983 208946554 /nfs/dbraw/zinc/94/65/54/208946554.db2.gz KELKLBQPVDHTNV-UHFFFAOYSA-N -1 0 371.437 2.430 50 0 FEAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)CC1CCCC1)CC2 ZINC000091269968 208972263 /nfs/dbraw/zinc/97/22/63/208972263.db2.gz ONKLNDNHSIXJAG-CQSZACIVSA-N -1 0 350.459 2.271 50 0 FEAARM CCC[C@](C)(NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000095969833 209091658 /nfs/dbraw/zinc/09/16/58/209091658.db2.gz VFWNWZKLXFVGMG-KRWDZBQOSA-N -1 0 371.455 2.009 50 0 FEAARM Cc1cccnc1CN1CCN([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000095379141 209038901 /nfs/dbraw/zinc/03/89/01/209038901.db2.gz JBUQUWVEZBRKKN-IBGZPJMESA-N -1 0 369.421 2.062 50 0 FEAARM COc1cc(SC)c(OC)cc1CN1CCc2nc[nH]c2[C@H]1C(=O)[O-] ZINC000095382140 209040820 /nfs/dbraw/zinc/04/08/20/209040820.db2.gz CDMNIGRNCQCKCU-INIZCTEOSA-N -1 0 363.439 2.333 50 0 FEAARM Cc1cc(Br)ccc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000095470247 209055598 /nfs/dbraw/zinc/05/55/98/209055598.db2.gz UJARDXFVCFAYDG-UHFFFAOYSA-N -1 0 365.183 2.256 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000095508072 209067913 /nfs/dbraw/zinc/06/79/13/209067913.db2.gz JRFLHZVMPPDGOP-GOSISDBHSA-N -1 0 364.405 2.422 50 0 FEAARM Cc1ccc(CN2CCN(c3nc(C)ccc3C(=O)[O-])C[C@@H]2CCO)o1 ZINC000106964536 132240574 /nfs/dbraw/zinc/24/05/74/132240574.db2.gz WMNCHNGNKRILAG-HNNXBMFYSA-N -1 0 359.426 2.063 50 0 FEAARM O=C([O-])C1CCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000238021566 132249094 /nfs/dbraw/zinc/24/90/94/132249094.db2.gz WKBCBYAUYFWQRZ-UHFFFAOYSA-N -1 0 351.834 2.275 50 0 FEAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@H](C(=O)[O-])C3 ZINC000020567621 132897435 /nfs/dbraw/zinc/89/74/35/132897435.db2.gz GVXNLVXOYWTIND-NVXWUHKLSA-N -1 0 361.401 2.364 50 0 FEAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000091587351 542814072 /nfs/dbraw/zinc/81/40/72/542814072.db2.gz ZCIYJVCLTUJAPL-UHFFFAOYSA-N -1 0 363.389 2.147 50 0 FEAARM COc1ccc(CN2CCN(c3ccc(C(=O)[O-])cn3)CC2)c(OC)c1 ZINC000065489321 136136499 /nfs/dbraw/zinc/13/64/99/136136499.db2.gz MNEAFJGULWZVJT-UHFFFAOYSA-N -1 0 357.410 2.119 50 0 FEAARM COc1cccc(N2CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000072400881 136145027 /nfs/dbraw/zinc/14/50/27/136145027.db2.gz QIPYVPWOCBVGLN-UHFFFAOYSA-N -1 0 354.406 2.285 50 0 FEAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(c3cc(C(N)=O)ccn3)CC2)c1 ZINC000072435647 136147338 /nfs/dbraw/zinc/14/73/38/136147338.db2.gz YFBSBAZVWNDBJK-UHFFFAOYSA-N -1 0 373.384 2.131 50 0 FEAARM COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c([O-])nc2ccccn2c1=O ZINC000096116736 542991904 /nfs/dbraw/zinc/99/19/04/542991904.db2.gz SLZNMBKRXFMOLK-LLVKDONJSA-N -1 0 374.780 2.454 50 0 FEAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096113950 542992336 /nfs/dbraw/zinc/99/23/36/542992336.db2.gz FEDNGBZYCBWSEZ-ZDUSSCGKSA-N -1 0 374.780 2.454 50 0 FEAARM Cc1cc2ncc(C(=O)N3CCC[C@H](C(=O)c4ccccc4)C3)c(=O)n2[n-]1 ZINC000102518278 543071990 /nfs/dbraw/zinc/07/19/90/543071990.db2.gz YSFMRBGCNXJFQC-HNNXBMFYSA-N -1 0 364.405 2.066 50 0 FEAARM Cc1oc(-c2ccsc2)nc1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237668779 328524390 /nfs/dbraw/zinc/52/43/90/328524390.db2.gz QIONALIWUGZWQK-UHFFFAOYSA-N -1 0 364.423 2.346 50 0 FEAARM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cn(CC(C)C)cn3)cc2)n[nH]1 ZINC000174944785 327362818 /nfs/dbraw/zinc/36/28/18/327362818.db2.gz HQZNOGNAARJTDY-UHFFFAOYSA-N -1 0 360.443 2.433 50 0 FEAARM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262773041 328888557 /nfs/dbraw/zinc/88/85/57/328888557.db2.gz MQHAAPCBTNHQDA-CYBMUJFWSA-N -1 0 357.410 2.386 50 0 FEAARM CONC(=O)Nc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000016956011 518772093 /nfs/dbraw/zinc/77/20/93/518772093.db2.gz XVILNRGJKUYHOQ-UHFFFAOYSA-N -1 0 356.429 2.244 50 0 FEAARM CCOc1cc(C(=O)N2CCOC[C@H]2CC(C)C)ccc1OCC(=O)[O-] ZINC000262356488 520658634 /nfs/dbraw/zinc/65/86/34/520658634.db2.gz CHUQPEQIECPHTA-OAHLLOKOSA-N -1 0 365.426 2.436 50 0 FEAARM CCS(=O)(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000262378586 521687585 /nfs/dbraw/zinc/68/75/85/521687585.db2.gz LCLAJSJKMFDULT-BPUTZDHNSA-N -1 0 365.451 2.338 50 0 FEAARM COc1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc2c1OCCO2 ZINC000268922772 522055573 /nfs/dbraw/zinc/05/55/73/522055573.db2.gz CPASKXORPYIJFU-UHFFFAOYSA-N -1 0 361.350 2.338 50 0 FEAARM CCc1ccc(-c2nc(CC(=O)N3CCOC[C@H]3C(=O)[O-])cs2)cc1 ZINC000268970158 523858467 /nfs/dbraw/zinc/85/84/67/523858467.db2.gz GHJQIQCWAJFBTM-HNNXBMFYSA-N -1 0 360.435 2.227 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000262723612 526273723 /nfs/dbraw/zinc/27/37/23/526273723.db2.gz XFHPZEMVYZEFBN-LBPRGKRZSA-N -1 0 365.432 2.270 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000262692442 526274548 /nfs/dbraw/zinc/27/45/48/526274548.db2.gz GQXTUEHCAOEFNO-LBPRGKRZSA-N -1 0 360.391 2.271 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 ZINC000269180246 526277740 /nfs/dbraw/zinc/27/77/40/526277740.db2.gz LEIDKUHABBHFHF-MRXNPFEDSA-N -1 0 353.374 2.230 50 0 FEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000262722493 526323615 /nfs/dbraw/zinc/32/36/15/526323615.db2.gz WJUJWENMUVJPMO-QGZVFWFLSA-N -1 0 373.430 2.350 50 0 FEAARM COc1ccc(Cc2c([O-])[nH]c(=O)n(-c3ccccc3)c2=O)c(OC)c1 ZINC000002999400 536531200 /nfs/dbraw/zinc/53/12/00/536531200.db2.gz IGZSZQWMLQSWMK-HNNXBMFYSA-N -1 0 354.362 2.146 50 0 FEAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155913528 545583480 /nfs/dbraw/zinc/58/34/80/545583480.db2.gz PLJSNSJXZVUGOM-PRHODGIISA-N -1 0 359.209 2.278 50 0 FEAARM CC(C)(C)c1n[nH]cc1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000170651993 546168544 /nfs/dbraw/zinc/16/85/44/546168544.db2.gz DXPYPTHLROPHRV-NSHDSACASA-N -1 0 363.439 2.474 50 0 FEAARM COc1ccc(CN2CCn3nc([C@@H](O)C4CC4)cc3C2)cc1C(=O)[O-] ZINC000218969102 548691521 /nfs/dbraw/zinc/69/15/21/548691521.db2.gz KWTSDLIOTISUKA-SFHVURJKSA-N -1 0 357.410 2.049 50 0 FEAARM CNc1nc(N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)[O-])cc2)ncc1F ZINC000223050745 548715914 /nfs/dbraw/zinc/71/59/14/548715914.db2.gz SHZVMXOIIVUTPH-ZIAGYGMSSA-N -1 0 362.361 2.004 50 0 FEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1cc(Cl)ccc1Cl ZINC000223683192 548723236 /nfs/dbraw/zinc/72/32/36/548723236.db2.gz WOCVEKWWJJIUDC-GFCCVEGCSA-N -1 0 361.225 2.339 50 0 FEAARM CCCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cc1Cl ZINC000223734524 548723771 /nfs/dbraw/zinc/72/37/71/548723771.db2.gz HPSPEHPUFYKRMB-UKRRQHHQSA-N -1 0 371.817 2.117 50 0 FEAARM O=S(=O)([N-]c1cnc2ccnn2c1)c1ccc(Br)s1 ZINC000225576138 548737118 /nfs/dbraw/zinc/73/71/18/548737118.db2.gz ZSXQZIZTWNHGQB-UHFFFAOYSA-N -1 0 359.230 2.354 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000299744589 553610438 /nfs/dbraw/zinc/61/04/38/553610438.db2.gz SZLAPOIEKGBXGU-ZDUSSCGKSA-N -1 0 353.440 2.116 50 0 FEAARM O=C([O-])c1nc[nH]c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000299776208 553613078 /nfs/dbraw/zinc/61/30/78/553613078.db2.gz LIMBXJIRMSLBQD-ZDUSSCGKSA-N -1 0 362.817 2.328 50 0 FEAARM CO[C@]12CCN(C(=O)c3cc(=O)[n-]o3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299774478 553613125 /nfs/dbraw/zinc/61/31/25/553613125.db2.gz IWDFTFKXFCLKPI-XAYKYTGQSA-N -1 0 359.382 2.006 50 0 FEAARM COc1ccc([C@@H]2OCC[C@H]2NC(=O)N=c2ncn(C(C)(C)C)[n-]2)cn1 ZINC000623086780 556336843 /nfs/dbraw/zinc/33/68/43/556336843.db2.gz KDSAJDPIMVXUFB-OCCSQVGLSA-N -1 0 360.418 2.088 50 0 FEAARM COc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)c(OC)c1 ZINC000408513286 558685467 /nfs/dbraw/zinc/68/54/67/558685467.db2.gz LMSKTTFOQXOYPQ-GQCTYLIASA-N -1 0 363.410 2.199 50 0 FEAARM O=C(c1cccc(C(F)(F)F)c1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990478 570842629 /nfs/dbraw/zinc/84/26/29/570842629.db2.gz QJQYSFZPJRBVJE-UHFFFAOYSA-N -1 0 362.311 2.240 50 0 FEAARM CCOc1cccc2n[n-]/c(=N\C(=O)Nc3ccc(OC)cc3OC)n21 ZINC000065314672 570901373 /nfs/dbraw/zinc/90/13/73/570901373.db2.gz ANAILRRQALRRIU-UHFFFAOYSA-N -1 0 357.370 2.211 50 0 FEAARM COc1ccccc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119328598 571098922 /nfs/dbraw/zinc/09/89/22/571098922.db2.gz BYERONGKLSSWQB-ZIAGYGMSSA-N -1 0 366.826 2.352 50 0 FEAARM Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000685943921 571104247 /nfs/dbraw/zinc/10/42/47/571104247.db2.gz MDJLYXCQVDRGKR-IAGOWNOFSA-N -1 0 355.438 2.183 50 0 FEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2OCCc3ccccc32)s1 ZINC000170015306 571260464 /nfs/dbraw/zinc/26/04/64/571260464.db2.gz GSNGVRLCKOYTFT-AWEZNQCLSA-N -1 0 366.464 2.269 50 0 FEAARM O=C([O-])C1CCC(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000194442401 672759565 /nfs/dbraw/zinc/75/95/65/672759565.db2.gz VPTKTMFZGORPAH-KOHJWAIASA-N -1 0 364.829 2.453 50 0 FEAARM Cc1nn(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c(C)c1Br ZINC000725347143 673089160 /nfs/dbraw/zinc/08/91/60/673089160.db2.gz NXENVMHVUKZKSA-SECBINFHSA-N -1 0 362.224 2.240 50 0 FEAARM CCC1(S(=O)(=O)NC2CCN(c3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000888102121 688546370 /nfs/dbraw/zinc/54/63/70/688546370.db2.gz CVXIUWGTNJWNTR-UHFFFAOYSA-N -1 0 352.456 2.216 50 0 FEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000972025 539336283 /nfs/dbraw/zinc/33/62/83/539336283.db2.gz NCYWADZMZQQGQO-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000001192131 539339982 /nfs/dbraw/zinc/33/99/82/539339982.db2.gz VQEWEPUUTNIFAT-SFQUDFHCSA-N -1 0 366.373 2.333 50 0 FEAARM Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c2oc1=O ZINC000002099314 539344568 /nfs/dbraw/zinc/34/45/68/539344568.db2.gz CILMVYLOUANTLX-AWEZNQCLSA-N -1 0 359.378 2.173 50 0 FEAARM Cc1ccccc1OCCn1c(S[C@H](C)C(=O)[O-])nc2c1ncnc2N ZINC000001433022 539342073 /nfs/dbraw/zinc/34/20/73/539342073.db2.gz YINQAJKAHKBVMY-LLVKDONJSA-N -1 0 373.438 2.361 50 0 FEAARM C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCCC(=O)[O-] ZINC000002235600 539346615 /nfs/dbraw/zinc/34/66/15/539346615.db2.gz QMEINOUPWAWGTO-LLVKDONJSA-N -1 0 359.378 2.030 50 0 FEAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000002970811 539357917 /nfs/dbraw/zinc/35/79/17/539357917.db2.gz UFHACUJVZPQDDB-WCQYABFASA-N -1 0 361.467 2.393 50 0 FEAARM Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000004063308 539375376 /nfs/dbraw/zinc/37/53/76/539375376.db2.gz QHINZRLGOWBIBL-CYBMUJFWSA-N -1 0 359.378 2.173 50 0 biogenic FEAARM CC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005624604 539413682 /nfs/dbraw/zinc/41/36/82/539413682.db2.gz JVYZKBJXEHILRX-RVDMUPIBSA-N -1 0 370.796 2.382 50 0 FEAARM O=C([O-])c1sccc1S(=O)(=O)NCCc1c[nH]c2ccccc12 ZINC000012652606 539569242 /nfs/dbraw/zinc/56/92/42/539569242.db2.gz ASHXEZCESWOZEV-UHFFFAOYSA-N -1 0 350.421 2.449 50 0 FEAARM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012885449 539577619 /nfs/dbraw/zinc/57/76/19/539577619.db2.gz ATMGIQPUSPSEIY-UHFFFAOYSA-N -1 0 352.343 2.283 50 0 FEAARM C[C@H](C(=O)[O-])n1c(S[C@H]2CCCCNC2=O)nnc1-c1cccs1 ZINC000012936234 539579851 /nfs/dbraw/zinc/57/98/51/539579851.db2.gz ZBXLYMHNVBXORS-KOLCDFICSA-N -1 0 366.468 2.413 50 0 FEAARM COc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc2c1OCCO2 ZINC000013443561 539587539 /nfs/dbraw/zinc/58/75/39/539587539.db2.gz XNMCGRZYRINSJH-UHFFFAOYSA-N -1 0 357.362 2.137 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1 ZINC000013317257 539585834 /nfs/dbraw/zinc/58/58/34/539585834.db2.gz QDYPTHUEYJOZEE-UHFFFAOYSA-N -1 0 368.389 2.207 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000022186398 539691852 /nfs/dbraw/zinc/69/18/52/539691852.db2.gz PKZMGWGIQAZHJS-UHFFFAOYSA-N -1 0 368.418 2.142 50 0 FEAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)c1 ZINC000023157883 539708283 /nfs/dbraw/zinc/70/82/83/539708283.db2.gz JHVYKKQAAJZRIN-AWEZNQCLSA-N -1 0 360.439 2.235 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000024153090 539726651 /nfs/dbraw/zinc/72/66/51/539726651.db2.gz VRDWKKDZTRFCEP-UHFFFAOYSA-N -1 0 365.407 2.455 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1OC ZINC000024433292 539731189 /nfs/dbraw/zinc/73/11/89/539731189.db2.gz RWDYGHONVAAYRF-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000024501066 539733418 /nfs/dbraw/zinc/73/34/18/539733418.db2.gz PXTAMICJZMQWNF-UHFFFAOYSA-N -1 0 351.834 2.409 50 0 FEAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000025501504 539760818 /nfs/dbraw/zinc/76/08/18/539760818.db2.gz VOEKYBDELNBZOH-CYBMUJFWSA-N -1 0 374.418 2.233 50 0 FEAARM CNS(=O)(=O)c1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000225700743 209829217 /nfs/dbraw/zinc/82/92/17/209829217.db2.gz MLLLAQXZNQXMBH-UHFFFAOYSA-N -1 0 372.349 2.154 50 0 FEAARM COc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000001131021 219376812 /nfs/dbraw/zinc/37/68/12/219376812.db2.gz ZBQBLPLNQLCBNP-ZDUSSCGKSA-N -1 0 358.375 2.213 50 0 FEAARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C ZINC000050821405 540415344 /nfs/dbraw/zinc/41/53/44/540415344.db2.gz WLXYFZFSYTXYPR-UHFFFAOYSA-N -1 0 362.407 2.081 50 0 FEAARM COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000054040638 540565766 /nfs/dbraw/zinc/56/57/66/540565766.db2.gz GPGPXFXSCRNQJZ-UHFFFAOYSA-N -1 0 364.210 2.164 50 0 FEAARM CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC000007360913 209510639 /nfs/dbraw/zinc/51/06/39/209510639.db2.gz OURMVMLSSGJSKW-UHFFFAOYSA-N -1 0 360.391 2.095 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc2c1 ZINC000008879751 209476066 /nfs/dbraw/zinc/47/60/66/209476066.db2.gz KPZCAKUZBNZQRG-ZDUSSCGKSA-N -1 0 373.405 2.366 50 0 FEAARM COc1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)ccc1F ZINC000155441276 209481319 /nfs/dbraw/zinc/48/13/19/209481319.db2.gz RQLDHNNPQPYRIS-ZZXKWVIFSA-N -1 0 370.789 2.401 50 0 FEAARM Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CC(=O)[O-])cc1 ZINC000153074922 209454479 /nfs/dbraw/zinc/45/44/79/209454479.db2.gz LGKMOTWHYXIVIG-UHFFFAOYSA-N -1 0 352.188 2.100 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N(C)c1c(F)cccc1F ZINC000057120453 540769253 /nfs/dbraw/zinc/76/92/53/540769253.db2.gz ZZLLGILUZMSDSU-UHFFFAOYSA-N -1 0 371.361 2.426 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc2c1C ZINC000004064268 209410326 /nfs/dbraw/zinc/41/03/26/209410326.db2.gz DLMATRNKFRTDDR-HNNXBMFYSA-N -1 0 373.405 2.427 50 0 biogenic FEAARM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000247316632 209370510 /nfs/dbraw/zinc/37/05/10/209370510.db2.gz RWQNZVXZDOHCQZ-CXAGYDPISA-N -1 0 370.405 2.156 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cc1ccccc1Br ZINC000238087705 209359573 /nfs/dbraw/zinc/35/95/73/209359573.db2.gz NCPCLGINQXEKFA-ZDUSSCGKSA-N -1 0 370.243 2.474 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2csc(Br)c2)CCO1 ZINC000238049037 209357545 /nfs/dbraw/zinc/35/75/45/209357545.db2.gz ZYDAXWXLBMEFFZ-YOLVWIGZSA-N -1 0 360.229 2.226 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000238047092 209357563 /nfs/dbraw/zinc/35/75/63/209357563.db2.gz HFIYKMMOPUIIOK-JTQLQIEISA-N -1 0 362.245 2.145 50 0 FEAARM Cn1cc(Br)cc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237871904 209357047 /nfs/dbraw/zinc/35/70/47/209357047.db2.gz OYOMZZYAKLMSJF-AWEZNQCLSA-N -1 0 363.211 2.439 50 0 FEAARM O=C([O-])c1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)n(-c2ccccc2)n1 ZINC000237981435 209356666 /nfs/dbraw/zinc/35/66/66/209356666.db2.gz ZWLZVPTZZQBALP-RDJZCZTQSA-N -1 0 355.394 2.354 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1c(=O)oc2ccccc21 ZINC000237970122 209356091 /nfs/dbraw/zinc/35/60/91/209356091.db2.gz KLZUEEZUSCXTDX-YDHLFZDLSA-N -1 0 358.394 2.229 50 0 FEAARM Cc1ccccc1-n1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC000237730669 209354930 /nfs/dbraw/zinc/35/49/30/209354930.db2.gz YSRNZURVVBIFTR-INIZCTEOSA-N -1 0 357.410 2.277 50 0 FEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1N1CCOC1=O ZINC000063640241 541176260 /nfs/dbraw/zinc/17/62/60/541176260.db2.gz KOQZDZIFCMMAAC-QWHCGFSZSA-N -1 0 360.366 2.257 50 0 FEAARM COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc3c(c2)OCCO3)c1 ZINC000065288244 541233021 /nfs/dbraw/zinc/23/30/21/541233021.db2.gz YNKCFUYYZLSUME-UHFFFAOYSA-N -1 0 353.334 2.412 50 0 FEAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(Br)cc3F)c2n1 ZINC000067225503 541433980 /nfs/dbraw/zinc/43/39/80/541433980.db2.gz OJZYEZHZJXBVTH-UHFFFAOYSA-N -1 0 365.162 2.485 50 0 FEAARM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nncn1C(C)C)C2 ZINC000067841088 541519743 /nfs/dbraw/zinc/51/97/43/541519743.db2.gz IFYWUGNZIWJHHK-CYBMUJFWSA-N -1 0 360.462 2.153 50 0 FEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1N1CCOC1=O ZINC000067988218 541535898 /nfs/dbraw/zinc/53/58/98/541535898.db2.gz KOQZDZIFCMMAAC-STQMWFEESA-N -1 0 360.366 2.257 50 0 FEAARM CCOc1ccc(-c2ccnc(NC[C@H]3COCCO3)n2)cc1C(=O)[O-] ZINC000072430384 541812744 /nfs/dbraw/zinc/81/27/44/541812744.db2.gz CUVOMYLUURCURJ-ZDUSSCGKSA-N -1 0 359.382 2.068 50 0 FEAARM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)C(C)(C)c3ccccc3)C2)CC1 ZINC000072436706 541814255 /nfs/dbraw/zinc/81/42/55/541814255.db2.gz DHNTYOWJQIMRHR-QGZVFWFLSA-N -1 0 372.465 2.278 50 0 FEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(=O)[nH]nc(C)n2c1 ZINC000096309383 209150737 /nfs/dbraw/zinc/15/07/37/209150737.db2.gz ODIJIYPHCJJZAM-UHFFFAOYSA-N -1 0 368.802 2.206 50 0 FEAARM Cc1nc(C)c(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)s1 ZINC000096149854 209123559 /nfs/dbraw/zinc/12/35/59/209123559.db2.gz QXRCILKYCCRIFO-AUUYWEPGSA-N -1 0 372.446 2.392 50 0 FEAARM Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)cc1C ZINC000096133088 209117404 /nfs/dbraw/zinc/11/74/04/209117404.db2.gz UQICLQMFLXTYTF-DYESRHJHSA-N -1 0 370.449 2.089 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000001744563 206894200 /nfs/dbraw/zinc/89/42/00/206894200.db2.gz UYOZWZKJQRBZRH-MRXNPFEDSA-N -1 0 357.362 2.500 50 0 FEAARM N=C1NC(=O)/C(=C/c2cn(CCC(=O)[O-])nc2-c2ccc(F)cc2)S1 ZINC000004269635 207009592 /nfs/dbraw/zinc/00/95/92/207009592.db2.gz NYTLISMVDXTRJA-GHXNOFRVSA-N -1 0 360.370 2.303 50 0 FEAARM CNS(=O)(=O)c1cc(Cl)ccc1[S@](=O)c1ccccc1C(=O)[O-] ZINC000004375726 207016454 /nfs/dbraw/zinc/01/64/54/207016454.db2.gz LRXVYUVHTLVCAE-QFIPXVFZSA-N -1 0 373.839 2.113 50 0 FEAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000004411710 207017992 /nfs/dbraw/zinc/01/79/92/207017992.db2.gz BAMWPNMZUFZPBI-UHFFFAOYSA-N -1 0 362.407 2.024 50 0 FEAARM O=C([O-])COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O ZINC000004777895 207048479 /nfs/dbraw/zinc/04/84/79/207048479.db2.gz MAHHBZFQFMZIKP-XNTDXEJSSA-N -1 0 352.346 2.243 50 0 FEAARM COc1ccc(NC(=O)[C@@H](Cc2cccc(OC)c2)c2nnn[n-]2)cc1 ZINC000005484164 207101579 /nfs/dbraw/zinc/10/15/79/207101579.db2.gz ZHQLKOFWFANEEA-INIZCTEOSA-N -1 0 353.382 2.182 50 0 FEAARM COc1cc(C[C@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[n-]2)ccc1O ZINC000005518405 207103613 /nfs/dbraw/zinc/10/36/13/207103613.db2.gz JYYADJTXVVXLBN-HNNXBMFYSA-N -1 0 367.409 2.496 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006784727 207165339 /nfs/dbraw/zinc/16/53/39/207165339.db2.gz QLSFJUQCXLNSMA-UHFFFAOYSA-N -1 0 365.436 2.182 50 0 FEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCOc1ccc(C)cc1 ZINC000008008458 207216518 /nfs/dbraw/zinc/21/65/18/207216518.db2.gz TWGIVVRHKNJJTJ-UHFFFAOYSA-N -1 0 371.389 2.272 50 0 FEAARM C[C@@H]1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CCO1 ZINC000011500390 207313786 /nfs/dbraw/zinc/31/37/86/207313786.db2.gz TXHNRBJIXCDOEO-SNVBAGLBSA-N -1 0 355.316 2.458 50 0 FEAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000012391756 207369927 /nfs/dbraw/zinc/36/99/27/207369927.db2.gz YAIIBDWZPDYANL-INIZCTEOSA-N -1 0 361.398 2.076 50 0 FEAARM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012557148 207394259 /nfs/dbraw/zinc/39/42/59/207394259.db2.gz AAZJBWOIDQMGIG-UHFFFAOYSA-N -1 0 354.453 2.315 50 0 FEAARM CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc21 ZINC000013029317 207449688 /nfs/dbraw/zinc/44/96/88/207449688.db2.gz FDDGUXFEWROJTM-UHFFFAOYSA-N -1 0 374.418 2.403 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000032833702 208048023 /nfs/dbraw/zinc/04/80/23/208048023.db2.gz OSQMCUWYGVQPCD-UHFFFAOYSA-N -1 0 372.406 2.290 50 0 FEAARM O=C1N[C@H](c2ccccn2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000033573576 208097497 /nfs/dbraw/zinc/09/74/97/208097497.db2.gz GYLRWBUJBMENNA-JTNHKYCSSA-N -1 0 371.340 2.247 50 0 FEAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NCc1cccnc1 ZINC000034768369 208109851 /nfs/dbraw/zinc/10/98/51/208109851.db2.gz RZTMMKVIALXFEX-UHFFFAOYSA-N -1 0 371.347 2.166 50 0 FEAARM NC(=O)c1c(SCC(=O)c2ccccc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040287943 208246891 /nfs/dbraw/zinc/24/68/91/208246891.db2.gz WIJZAAZRRLPRME-UHFFFAOYSA-N -1 0 360.416 2.369 50 0 FEAARM CCc1nn2c(nnc3c2ccn(CCC(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040388394 208249596 /nfs/dbraw/zinc/24/95/96/208249596.db2.gz YNOUSEZAOCSPNR-UHFFFAOYSA-N -1 0 363.377 2.143 50 0 FEAARM COc1ccc(-c2noc(CCCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000299745658 208342126 /nfs/dbraw/zinc/34/21/26/208342126.db2.gz RQRLFVIHMLAPMA-LJQANCHMSA-N -1 0 373.409 2.391 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000299747863 208342241 /nfs/dbraw/zinc/34/22/41/208342241.db2.gz FKGYIPJDFQNZLY-LLVKDONJSA-N -1 0 358.375 2.482 50 0 FEAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(C)no1)CC2 ZINC000299746339 208343092 /nfs/dbraw/zinc/34/30/92/208343092.db2.gz WSHTYIAATWLNAF-CYBMUJFWSA-N -1 0 360.366 2.215 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299751558 208358349 /nfs/dbraw/zinc/35/83/49/208358349.db2.gz QZASTVVSYZHFMG-MRXNPFEDSA-N -1 0 353.374 2.038 50 0 FEAARM Cc1oc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1COc1ccccc1 ZINC000299751721 208358655 /nfs/dbraw/zinc/35/86/55/208358655.db2.gz RJYGPOFHNMYDNV-INIZCTEOSA-N -1 0 359.378 2.483 50 0 FEAARM O=C([O-])c1cc(C(=O)NC[C@H]2CSCCS2)n(-c2ccccc2)n1 ZINC000299753310 208362088 /nfs/dbraw/zinc/36/20/88/208362088.db2.gz XTNAPTAOGZSUFC-LBPRGKRZSA-N -1 0 363.464 2.149 50 0 FEAARM CCn1cc(-c2nnc(SCC(=O)[O-])n2-c2ccc(OC)cc2)cn1 ZINC000067740975 208721540 /nfs/dbraw/zinc/72/15/40/208721540.db2.gz QBRPMFHSIXCNKN-UHFFFAOYSA-N -1 0 359.411 2.336 50 0 FEAARM O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)c1 ZINC000095358614 209026115 /nfs/dbraw/zinc/02/61/15/209026115.db2.gz QQEGGQCKTQFSNF-MRXNPFEDSA-N -1 0 352.456 2.295 50 0 FEAARM C[C@@H](NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1nnn[n-]1 ZINC000095367353 209031926 /nfs/dbraw/zinc/03/19/26/209031926.db2.gz KBQZINFYOBWKQY-SNVBAGLBSA-N -1 0 351.345 2.145 50 0 FEAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095374048 209036037 /nfs/dbraw/zinc/03/60/37/209036037.db2.gz BBRFEJNSDSZFMM-OAHLLOKOSA-N -1 0 363.439 2.293 50 0 FEAARM 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364.373 2.089 50 0 FEAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc3ccccn32)c1 ZINC000225476269 548734889 /nfs/dbraw/zinc/73/48/89/548734889.db2.gz MSSVFPAWALZCLC-UHFFFAOYSA-N -1 0 350.787 2.386 50 0 FEAARM CCOc1nc2cc(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)ccc2[nH]1 ZINC000225706719 548741634 /nfs/dbraw/zinc/74/16/34/548741634.db2.gz HLZJNSLISZIIRK-AWEZNQCLSA-N -1 0 368.441 2.094 50 0 FEAARM CC(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000253431105 549688474 /nfs/dbraw/zinc/68/84/74/549688474.db2.gz GJVRHCVURVBYLT-UHFFFAOYSA-N -1 0 368.480 2.422 50 0 FEAARM O=C([O-])c1cccc(NC(=O)CN2CCC([C@@H](O)c3ccccn3)CC2)c1 ZINC000299767103 553612778 /nfs/dbraw/zinc/61/27/78/553612778.db2.gz DWNXUHKPDOQMJW-LJQANCHMSA-N -1 0 369.421 2.164 50 0 FEAARM O=S(=O)([N-]c1cnn(C[C@@H]2CCCCO2)c1)c1ccc2c(c1)CCO2 ZINC000390828719 558612038 /nfs/dbraw/zinc/61/20/38/558612038.db2.gz TVNKPAGXLJYSMO-HNNXBMFYSA-N -1 0 363.439 2.188 50 0 FEAARM O=C([O-])CN(C(=O)c1ccc(F)c(COCC2CC2)c1)C1CCOCC1 ZINC000583650569 570812148 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O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)[C@@H](n2ccnn2)C1 ZINC000685940868 571100156 /nfs/dbraw/zinc/10/01/56/571100156.db2.gz YBARRILYSSCWMG-ZACQAIPSSA-N -1 0 354.410 2.380 50 0 FEAARM O=C(C[C@@H]1CCOc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000118148469 571175525 /nfs/dbraw/zinc/17/55/25/571175525.db2.gz DBSQCZVOAKQBDP-NSHDSACASA-N -1 0 366.826 2.496 50 0 FEAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000426388107 571218746 /nfs/dbraw/zinc/21/87/46/571218746.db2.gz CCLJDSCDLODWDY-GASCZTMLSA-N -1 0 373.430 2.254 50 0 FEAARM CO[C@@H](CS(=O)(=O)[N-]c1noc2ccc(Cl)cc21)[C@@H]1CCOC1 ZINC000656733540 677822531 /nfs/dbraw/zinc/82/25/31/677822531.db2.gz BOSPUMUSVSPHSB-RNCFNFMXSA-N -1 0 360.819 2.274 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCC2(CC1)OCCO2 ZINC000780435016 681826888 /nfs/dbraw/zinc/82/68/88/681826888.db2.gz UKBNRDGXPWIBGG-QEJZJMRPSA-N -1 0 352.431 2.099 50 0 FEAARM C[C@@H]1CN(c2ccnc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)C[C@H](C)O1 ZINC000263464209 939113373 /nfs/dbraw/zinc/11/33/73/939113373.db2.gz WHMSZPHZGGBLEX-IYOUNJFTSA-N -1 0 369.421 2.251 50 0 FEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CCCO1 ZINC000000804581 539334129 /nfs/dbraw/zinc/33/41/29/539334129.db2.gz BLBVVRHXVCCVEY-LBPRGKRZSA-N -1 0 353.425 2.061 50 0 FEAARM O=S(=O)([N-]c1ccccn1)c1ccc(I)cc1 ZINC000000887294 539335259 /nfs/dbraw/zinc/33/52/59/539335259.db2.gz CDBVOMLNZNWSGH-UHFFFAOYSA-N -1 0 360.176 2.487 50 0 FEAARM C[C@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)[O-] ZINC000002076529 539344905 /nfs/dbraw/zinc/34/49/05/539344905.db2.gz GCNMWPSHBPUACZ-YAFRSCOQSA-N -1 0 366.398 2.309 50 0 FEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000002145083 539345921 /nfs/dbraw/zinc/34/59/21/539345921.db2.gz ZPRHVPHDENDZTP-GJZGRUSLSA-N -1 0 362.426 2.198 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc2c1C ZINC000002154742 539345978 /nfs/dbraw/zinc/34/59/78/539345978.db2.gz BEJVSHYMXWTLNB-UHFFFAOYSA-N -1 0 373.405 2.284 50 0 biogenic FEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncn(Cc2cccc(Cl)c2)n1 ZINC000002804385 539353644 /nfs/dbraw/zinc/35/36/44/539353644.db2.gz GRGRTAGMQQNCBQ-UHFFFAOYSA-N -1 0 366.834 2.121 50 0 FEAARM Cc1nn(C)cc1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002778311 539352803 /nfs/dbraw/zinc/35/28/03/539352803.db2.gz OCIRJLZOLZUSMO-VIFPVBQESA-N -1 0 371.466 2.317 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1 ZINC000003623317 539372365 /nfs/dbraw/zinc/37/23/65/539372365.db2.gz JXZRQYGZTYFHQG-HNNXBMFYSA-N -1 0 359.378 2.415 50 0 FEAARM CC1CCN(C(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)CC1 ZINC000009761949 539507634 /nfs/dbraw/zinc/50/76/34/539507634.db2.gz ZDGUREFTBNJQBP-UHFFFAOYSA-N -1 0 371.459 2.288 50 0 FEAARM COc1ccc(NC(=O)[C@@H](C)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000010484240 539517735 /nfs/dbraw/zinc/51/77/35/539517735.db2.gz BRMFSQBDLVFHBE-LLVKDONJSA-N -1 0 367.361 2.303 50 0 FEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000013187875 539584182 /nfs/dbraw/zinc/58/41/82/539584182.db2.gz NIYDMABQMMQOCR-OAHLLOKOSA-N -1 0 357.362 2.412 50 0 FEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000013195913 539584448 /nfs/dbraw/zinc/58/44/48/539584448.db2.gz ISGIMSLAVWDOIB-OAHLLOKOSA-N -1 0 353.371 2.329 50 0 FEAARM COc1cccc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])cs2)c1OC ZINC000013309142 539585592 /nfs/dbraw/zinc/58/55/92/539585592.db2.gz UXZZTNBAXKIJLR-UHFFFAOYSA-N -1 0 371.436 2.284 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000013317258 539585772 /nfs/dbraw/zinc/58/57/72/539585772.db2.gz HMWGDWIIBPPYII-UHFFFAOYSA-N -1 0 352.390 2.371 50 0 FEAARM Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000013268675 539585928 /nfs/dbraw/zinc/58/59/28/539585928.db2.gz XDBSULXCIMEINM-MRXNPFEDSA-N -1 0 371.418 2.186 50 0 FEAARM O=C([O-])C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000013425652 539586744 /nfs/dbraw/zinc/58/67/44/539586744.db2.gz LQXSUHPUYTUOGW-UHFFFAOYSA-N -1 0 350.802 2.404 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCn2ncc(Cl)c2C)c1 ZINC000013960118 539593424 /nfs/dbraw/zinc/59/34/24/539593424.db2.gz WMNCXMPZJGSFKJ-UHFFFAOYSA-N -1 0 371.846 2.373 50 0 FEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015997152 539625790 /nfs/dbraw/zinc/62/57/90/539625790.db2.gz WCQWMGACBQRSDI-LJQANCHMSA-N -1 0 367.449 2.210 50 0 FEAARM Cc1n[n-]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1=O ZINC000017056692 539638561 /nfs/dbraw/zinc/63/85/61/539638561.db2.gz MNNZTDRRQUNDJZ-UHFFFAOYSA-N -1 0 361.449 2.385 50 0 FEAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4ccccc4)C(=O)[C@@H]32)cc1 ZINC000018202477 539647997 /nfs/dbraw/zinc/64/79/97/539647997.db2.gz QMYKGQLMGLXVQZ-FUHWJXTLSA-N -1 0 363.373 2.018 50 0 FEAARM CCC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020292183 539674075 /nfs/dbraw/zinc/67/40/75/539674075.db2.gz ZZTGNNZVIKVYFP-WUKNDPDISA-N -1 0 364.405 2.114 50 0 FEAARM CCN1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022031306 539690400 /nfs/dbraw/zinc/69/04/00/539690400.db2.gz LMUYYWGUGBZRPU-HNNXBMFYSA-N -1 0 373.482 2.232 50 0 FEAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1 ZINC000022459006 539694890 /nfs/dbraw/zinc/69/48/90/539694890.db2.gz FDBOYXVCVMWXJU-HNNXBMFYSA-N -1 0 373.482 2.150 50 0 FEAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468378 539696030 /nfs/dbraw/zinc/69/60/30/539696030.db2.gz YVASKMLRCNGAPQ-OAHLLOKOSA-N -1 0 357.483 2.450 50 0 FEAARM O=C([N-]OCc1ccccc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000025286949 539753724 /nfs/dbraw/zinc/75/37/24/539753724.db2.gz CRURZDPZHKYCQS-IRXDYDNUSA-N -1 0 374.437 2.216 50 0 FEAARM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1C ZINC000225611063 209823136 /nfs/dbraw/zinc/82/31/36/209823136.db2.gz MRZKIAMLNKXYGY-UHFFFAOYSA-N -1 0 367.456 2.356 50 0 FEAARM C[C@@]1(c2ccco2)NC(=O)N([N-]C(=O)c2csc(-c3ccco3)n2)C1=O ZINC000029603342 539858563 /nfs/dbraw/zinc/85/85/63/539858563.db2.gz DCKGDEURRXTVDU-INIZCTEOSA-N -1 0 372.362 2.108 50 0 FEAARM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000039930649 540002862 /nfs/dbraw/zinc/00/28/62/540002862.db2.gz BVEABIHNQVMWNG-UHFFFAOYSA-N -1 0 365.363 2.120 50 0 FEAARM O=C([O-])[C@H](CCC(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O ZINC000000986848 209385038 /nfs/dbraw/zinc/38/50/38/209385038.db2.gz RBSBNKCIVNLPKN-INIZCTEOSA-N -1 0 372.421 2.355 50 0 FEAARM O=C([O-])CN(C(=O)Cc1cccc(Br)c1)C1CCOCC1 ZINC000238099636 209361103 /nfs/dbraw/zinc/36/11/03/209361103.db2.gz UJJGTLOWIVQFJY-UHFFFAOYSA-N -1 0 356.216 2.084 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000237986556 209358232 /nfs/dbraw/zinc/35/82/32/209358232.db2.gz LKTPGNZEXCPYHE-JQFCIGGWSA-N -1 0 372.400 2.323 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000238015706 209358036 /nfs/dbraw/zinc/35/80/36/209358036.db2.gz FBNDBBOJDFIHAT-QZTJIDSGSA-N -1 0 372.465 2.181 50 0 FEAARM O=C([O-])c1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)s1 ZINC000238023960 209357813 /nfs/dbraw/zinc/35/78/13/209357813.db2.gz HDUABEVDOKOWDA-UHFFFAOYSA-N -1 0 358.419 2.499 50 0 FEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000237995641 209357572 /nfs/dbraw/zinc/35/75/72/209357572.db2.gz WNIHCGHQXULQRK-LLVKDONJSA-N -1 0 363.805 2.175 50 0 FEAARM O=C([O-])c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)n(-c2ccccc2)n1 ZINC000237981463 209356179 /nfs/dbraw/zinc/35/61/79/209356179.db2.gz ZWLZVPTZZQBALP-WBVHZDCISA-N -1 0 355.394 2.354 50 0 FEAARM COc1ccc(Br)c(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000237324479 209345029 /nfs/dbraw/zinc/34/50/29/209345029.db2.gz WUPFIRHFAPSCGY-SNVBAGLBSA-N -1 0 356.216 2.323 50 0 FEAARM CNC(=O)c1ccc(/C=C/C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237212550 209340569 /nfs/dbraw/zinc/34/05/69/209340569.db2.gz BGALMQBOJKLYJT-VISTVZMNSA-N -1 0 356.422 2.304 50 0 FEAARM COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc(C(=O)[O-])c1OC ZINC000045946259 209328923 /nfs/dbraw/zinc/32/89/23/209328923.db2.gz WWVSZTAUEXNLTO-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)s1 ZINC000065398919 541235767 /nfs/dbraw/zinc/23/57/67/541235767.db2.gz YJARDHNFZNYJPG-LLVKDONJSA-N -1 0 357.391 2.450 50 0 FEAARM CCCc1nc(C(=O)N2CCC(C(=O)[O-])CC2)nn1-c1ccccc1F ZINC000236924073 209263340 /nfs/dbraw/zinc/26/33/40/209263340.db2.gz JJEBJGOUCIDJSF-UHFFFAOYSA-N -1 0 360.389 2.296 50 0 FEAARM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000041616220 209240849 /nfs/dbraw/zinc/24/08/49/209240849.db2.gz CINNTHYBEKFDNE-UHFFFAOYSA-N -1 0 351.338 2.050 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000101417495 209225174 /nfs/dbraw/zinc/22/51/74/209225174.db2.gz JXRFETZLRWNADO-DLBZAZTESA-N -1 0 350.378 2.497 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1 ZINC000101418003 209224690 /nfs/dbraw/zinc/22/46/90/209224690.db2.gz OWFXYIULEXPAEA-DLBZAZTESA-N -1 0 366.377 2.197 50 0 FEAARM CC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000101344466 209224321 /nfs/dbraw/zinc/22/43/21/209224321.db2.gz UDEGEESKVKSFDT-NVXWUHKLSA-N -1 0 352.321 2.321 50 0 FEAARM CCn1c(C)ccc(-c2nc(COc3ccccc3)nn2CC(=O)[O-])c1=O ZINC000097773123 209197522 /nfs/dbraw/zinc/19/75/22/209197522.db2.gz SOJWJJNFEMOCPA-UHFFFAOYSA-N -1 0 368.393 2.099 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000236716837 209197293 /nfs/dbraw/zinc/19/72/93/209197293.db2.gz WYPFLHLNUIJARJ-HUUCEWRRSA-N -1 0 352.818 2.373 50 0 FEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000012508120 220001846 /nfs/dbraw/zinc/00/18/46/220001846.db2.gz HEDKDGQJBALHGT-UHFFFAOYSA-N -1 0 373.390 2.465 50 0 FEAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCCNC(=O)C2CC2)c1C ZINC000069604232 541698875 /nfs/dbraw/zinc/69/88/75/541698875.db2.gz IPMACZDQVGUJOC-UHFFFAOYSA-N -1 0 366.483 2.032 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000071286976 541766761 /nfs/dbraw/zinc/76/67/61/541766761.db2.gz JORKPAQFKBEWDB-UHFFFAOYSA-N -1 0 369.362 2.136 50 0 FEAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc(F)cc(F)c2)c1 ZINC000071756987 541771487 /nfs/dbraw/zinc/77/14/87/541771487.db2.gz BYSBRSQAPHIYFR-UHFFFAOYSA-N -1 0 371.361 2.255 50 0 FEAARM CN1c2ccccc2[C@@](CCC(=O)NCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071776470 541771790 /nfs/dbraw/zinc/77/17/90/541771790.db2.gz MFMNOUBLHXPAFY-OAQYLSRUSA-N -1 0 366.417 2.125 50 0 FEAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCCC1 ZINC000071802766 541772826 /nfs/dbraw/zinc/77/28/26/541772826.db2.gz GIHMFVRBLIRJHS-MRXNPFEDSA-N -1 0 370.449 2.432 50 0 FEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)c2cscn2)CC1 ZINC000072429672 541811971 /nfs/dbraw/zinc/81/19/71/541811971.db2.gz FAESTNPEYFGOOT-UHFFFAOYSA-N -1 0 350.371 2.421 50 0 FEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)Cc2cccnc2)CC1 ZINC000072430545 541812687 /nfs/dbraw/zinc/81/26/87/541812687.db2.gz JTZKWWVJRXPGOK-UHFFFAOYSA-N -1 0 354.406 2.457 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3noc([C@H]4CCCO4)n3)n2)c1 ZINC000072474877 541819463 /nfs/dbraw/zinc/81/94/63/541819463.db2.gz DULXJNSOHXYANG-CYBMUJFWSA-N -1 0 368.353 2.083 50 0 FEAARM CCc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cn21 ZINC000096309387 209150726 /nfs/dbraw/zinc/15/07/26/209150726.db2.gz JOCUXNQWCAXDDB-UHFFFAOYSA-N -1 0 370.793 2.178 50 0 FEAARM COc1cccc2c1OC[C@H](CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C2 ZINC000299758343 206634654 /nfs/dbraw/zinc/63/46/54/206634654.db2.gz LUNVQLKRJLGRLI-LBPRGKRZSA-N -1 0 358.394 2.319 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc3c(c2)OCO3)cc1 ZINC000096297685 206806052 /nfs/dbraw/zinc/80/60/52/206806052.db2.gz GCTCYSXZKKLFGX-OQFOIZHKSA-N -1 0 373.386 2.136 50 0 FEAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000001295781 206872484 /nfs/dbraw/zinc/87/24/84/206872484.db2.gz DHXMJAXEVDILKL-WDMOLILDSA-N -1 0 371.340 2.247 50 0 FEAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002095454 206901552 /nfs/dbraw/zinc/90/15/52/206901552.db2.gz VCCHESGIJUNSBM-DIFFPNOSSA-N -1 0 361.394 2.348 50 0 biogenic FEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002534744 206919825 /nfs/dbraw/zinc/91/98/25/206919825.db2.gz MIJFXBFESOOEMP-UHFFFAOYSA-N -1 0 360.313 2.485 50 0 FEAARM O=C1N[C@H](c2cccs2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269928 207010077 /nfs/dbraw/zinc/01/00/77/207010077.db2.gz DHXMJAXEVDILKL-JTNHKYCSSA-N -1 0 371.340 2.247 50 0 FEAARM COC(=O)[C@@]([N-]c1nccs1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000005742583 207115251 /nfs/dbraw/zinc/11/52/51/207115251.db2.gz CQGBMWAGVAVICU-AWEZNQCLSA-N -1 0 373.356 2.346 50 0 FEAARM Cc1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000006810090 207168242 /nfs/dbraw/zinc/16/82/42/207168242.db2.gz MIFJNPHKAKCNSD-HUUCEWRRSA-N -1 0 355.398 2.356 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4F)c=3c2=O)cc1 ZINC000006770495 207162254 /nfs/dbraw/zinc/16/22/54/207162254.db2.gz CGUCNCOMZOPFPP-JKSUJKDBSA-N -1 0 354.341 2.328 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cn1C ZINC000006777991 207163560 /nfs/dbraw/zinc/16/35/60/207163560.db2.gz RTNFWLNFVQJRDE-UHFFFAOYSA-N -1 0 352.412 2.320 50 0 FEAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000008709188 207242113 /nfs/dbraw/zinc/24/21/13/207242113.db2.gz CUZRHEVOOSTVDK-UHFFFAOYSA-N -1 0 366.402 2.328 50 0 FEAARM CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C)cc1)c2=O ZINC000009560747 207277280 /nfs/dbraw/zinc/27/72/80/207277280.db2.gz ORFPGFNXJCNUBI-UHFFFAOYSA-N -1 0 361.427 2.200 50 0 FEAARM Cc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000009483635 207274542 /nfs/dbraw/zinc/27/45/42/207274542.db2.gz AVCGWPDFSGYIHB-CQSZACIVSA-N -1 0 350.802 2.077 50 0 FEAARM CCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000013365333 207459501 /nfs/dbraw/zinc/45/95/01/207459501.db2.gz UKJAPZPSCVSBTP-UHFFFAOYSA-N -1 0 366.834 2.246 50 0 FEAARM Cn1nnnc1-c1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000032771972 208041905 /nfs/dbraw/zinc/04/19/05/208041905.db2.gz FDVLFNNKSQQHTQ-IBGZPJMESA-N -1 0 365.393 2.248 50 0 FEAARM CCc1nnc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)nn21 ZINC000033277234 208080783 /nfs/dbraw/zinc/08/07/83/208080783.db2.gz JLXMBBYSSFITHF-UHFFFAOYSA-N -1 0 367.818 2.150 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000033307493 208082624 /nfs/dbraw/zinc/08/26/24/208082624.db2.gz DHRIBLSWMGLMSZ-UHFFFAOYSA-N -1 0 374.422 2.144 50 0 FEAARM CCCCC(=O)Nc1ccc(N(C)C[C@H]2COCCO2)c(C(=O)[O-])c1 ZINC000035510979 208129175 /nfs/dbraw/zinc/12/91/75/208129175.db2.gz XXHNPQPRGLSQCZ-AWEZNQCLSA-N -1 0 350.415 2.365 50 0 FEAARM COCCn1c2nc(-c3ccccc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617241 208166424 /nfs/dbraw/zinc/16/64/24/208166424.db2.gz FRPXJQAWWFYGCI-UHFFFAOYSA-N -1 0 357.391 2.466 50 0 FEAARM CSc1ncc(Br)c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000041097686 208279798 /nfs/dbraw/zinc/27/97/98/208279798.db2.gz VMEBFINBKGXJAV-QMMMGPOBSA-N -1 0 362.249 2.190 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000299741076 208336600 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2.172 50 0 FEAARM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000048356123 570949974 /nfs/dbraw/zinc/94/99/74/570949974.db2.gz SAXGJWFPSVLSBY-UHFFFAOYSA-N -1 0 370.377 2.410 50 0 FEAARM CC(C)c1sc(NC(=O)CCC(=O)Nc2nccs2)nc1C(=O)[O-] ZINC000095476383 571130988 /nfs/dbraw/zinc/13/09/88/571130988.db2.gz QOYGGHGISHVATC-UHFFFAOYSA-N -1 0 368.440 2.779 50 0 FEAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000118145557 571175580 /nfs/dbraw/zinc/17/55/80/571175580.db2.gz SLJMXELQAVNDMZ-BMIGLBTASA-N -1 0 366.826 2.246 50 0 FEAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000670448735 571351718 /nfs/dbraw/zinc/35/17/18/571351718.db2.gz QLMXYMHLGFWNJH-UHFFFAOYSA-N -1 0 362.349 2.157 50 0 FEAARM Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000022205308 670038590 /nfs/dbraw/zinc/03/85/90/670038590.db2.gz ABCFCAKIVMOAGM-GUYCJALGSA-N -1 0 360.435 2.326 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NC1CCC2(CC1)OCCO2 ZINC000780435017 681827259 /nfs/dbraw/zinc/82/72/59/681827259.db2.gz UKBNRDGXPWIBGG-SNPRPXQTSA-N -1 0 352.431 2.099 50 0 FEAARM O=C([O-])C1(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CCOCC1 ZINC000952974958 939809724 /nfs/dbraw/zinc/80/97/24/939809724.db2.gz PMJUWUGFKYBMSZ-MRXNPFEDSA-N -1 0 364.417 2.103 50 0 FEAARM CCN1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])c3cccc(c23)C1=O ZINC000000631331 539331540 /nfs/dbraw/zinc/33/15/40/539331540.db2.gz GWXPEKYEANOENV-AWEZNQCLSA-N -1 0 374.418 2.058 50 0 FEAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC(=O)[O-] ZINC000000959174 539336039 /nfs/dbraw/zinc/33/60/39/539336039.db2.gz OITDLGFSXSDKJB-GFCCVEGCSA-N -1 0 367.357 2.428 50 0 biogenic FEAARM O=C(Cc1sc2ncnn2c1[O-])Nc1ccc(Br)cc1 ZINC000000959014 539336045 /nfs/dbraw/zinc/33/60/45/539336045.db2.gz QSVDRGTXPDNZQZ-SECBINFHSA-N -1 0 353.201 2.184 50 0 aggregator FEAARM O=C([O-])[C@@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000002045121 539343354 /nfs/dbraw/zinc/34/33/54/539343354.db2.gz WZWYZPFOTAVDKN-QGZVFWFLSA-N -1 0 354.406 2.470 50 0 FEAARM CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002152966 539345573 /nfs/dbraw/zinc/34/55/73/539345573.db2.gz LELAZSWZMLVOQI-CQSZACIVSA-N -1 0 361.394 2.418 50 0 biogenic FEAARM CC(C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002106791 539344988 /nfs/dbraw/zinc/34/49/88/539344988.db2.gz OHZODBRXBHRMFB-SFHVURJKSA-N -1 0 373.405 2.276 50 0 biogenic FEAARM CCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-] ZINC000002113799 539345070 /nfs/dbraw/zinc/34/50/70/539345070.db2.gz VLYUYUFHKXMBBC-HNNXBMFYSA-N -1 0 373.405 2.338 50 0 biogenic FEAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002148589 539345378 /nfs/dbraw/zinc/34/53/78/539345378.db2.gz XDZNWFCGULWVRH-OAHLLOKOSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM COc1ccccc1[C@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000002386686 539348039 /nfs/dbraw/zinc/34/80/39/539348039.db2.gz FJQNFLZENGOSCL-OAHLLOKOSA-N -1 0 350.415 2.374 50 0 FEAARM CCC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000002545085 539348782 /nfs/dbraw/zinc/34/87/82/539348782.db2.gz XRCZZVVWVGSUGJ-AWEZNQCLSA-N -1 0 350.440 2.437 50 0 in-vitro FEAARM CC(C)[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000002545082 539349109 /nfs/dbraw/zinc/34/91/09/539349109.db2.gz VULDIKGSZAUMHB-INIZCTEOSA-N -1 0 350.440 2.293 50 0 FEAARM CCCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002147797 539345769 /nfs/dbraw/zinc/34/57/69/539345769.db2.gz VNJVPKGMFBJBJF-HNNXBMFYSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000002152229 539346140 /nfs/dbraw/zinc/34/61/40/539346140.db2.gz DRDRTRQEZRQJEA-LBPRGKRZSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002736576 539351898 /nfs/dbraw/zinc/35/18/98/539351898.db2.gz HGLSCHYFNVENJT-UHFFFAOYSA-N -1 0 366.826 2.346 50 0 FEAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)n1 ZINC000002780502 539353072 /nfs/dbraw/zinc/35/30/72/539353072.db2.gz FMYJPBUIBVRRTM-SNVBAGLBSA-N -1 0 371.466 2.492 50 0 FEAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000003443673 539365941 /nfs/dbraw/zinc/36/59/41/539365941.db2.gz LGMCGWLSDVQJAE-CABCVRRESA-N -1 0 368.499 2.370 50 0 FEAARM CC(C)[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004093762 539376379 /nfs/dbraw/zinc/37/63/79/539376379.db2.gz LVCQXRXPNQGPBM-QBOMHBFWSA-N -1 0 356.378 2.276 50 0 biogenic FEAARM CCC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000005977407 539419286 /nfs/dbraw/zinc/41/92/86/539419286.db2.gz AMCAXAPLCQNGGI-BMRADRMJSA-N -1 0 364.405 2.427 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1NC(C)=O ZINC000006316004 539425015 /nfs/dbraw/zinc/42/50/15/539425015.db2.gz VFWJRVKLKIRFSW-UHFFFAOYSA-N -1 0 364.379 2.153 50 0 FEAARM COc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006390803 539426874 /nfs/dbraw/zinc/42/68/74/539426874.db2.gz JSYWECCODGZFEP-UHFFFAOYSA-N -1 0 351.453 2.184 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1F ZINC000007052161 539445702 /nfs/dbraw/zinc/44/57/02/539445702.db2.gz HFSKRCDQEOWLLT-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000008110855 539477099 /nfs/dbraw/zinc/47/70/99/539477099.db2.gz DFSFXYFJMBDCDM-UHFFFAOYSA-N -1 0 360.844 2.097 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2 ZINC000008274274 539482552 /nfs/dbraw/zinc/48/25/52/539482552.db2.gz HQBGAYSIULYNQH-HNNXBMFYSA-N -1 0 352.346 2.322 50 0 FEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NCc1nc(-c2ccsc2)no1 ZINC000013241896 539585250 /nfs/dbraw/zinc/58/52/50/539585250.db2.gz QPKMYWIRFKFTEB-CYBMUJFWSA-N -1 0 372.406 2.293 50 0 FEAARM CCn1nnc2cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)ccc21 ZINC000014371192 539602516 /nfs/dbraw/zinc/60/25/16/539602516.db2.gz IHFMDKJEWPUPJA-UHFFFAOYSA-N -1 0 368.422 2.021 50 0 FEAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)c1 ZINC000015682361 539621746 /nfs/dbraw/zinc/62/17/46/539621746.db2.gz DEFRMNIYPAGTCE-UHFFFAOYSA-N -1 0 365.436 2.056 50 0 FEAARM O=C([O-])CCS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000016899991 539637413 /nfs/dbraw/zinc/63/74/13/539637413.db2.gz KPBHULSXWJFNDR-JTQLQIEISA-N -1 0 358.213 2.289 50 0 FEAARM Cc1cc(C)c(S(=O)(=O)[N-]NC(=S)NCc2ccco2)c(C)c1 ZINC000017073213 539639011 /nfs/dbraw/zinc/63/90/11/539639011.db2.gz AYXZPZFWTQHTGH-UHFFFAOYSA-N -1 0 353.469 2.062 50 0 FEAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)c1 ZINC000016579545 539633232 /nfs/dbraw/zinc/63/32/32/539633232.db2.gz GHPVTVABDHQAAR-UHFFFAOYSA-N -1 0 374.462 2.409 50 0 FEAARM COC(=O)C1=C(C(=O)OC)c2c([n-]n(-c3ccccc3)c2=O)CCCC1 ZINC000018062188 539645508 /nfs/dbraw/zinc/64/55/08/539645508.db2.gz VPKCUUVCOYJAFA-UHFFFAOYSA-N -1 0 356.378 2.404 50 0 FEAARM CCCCn1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020612313 539675838 /nfs/dbraw/zinc/67/58/38/539675838.db2.gz KKCJTQHKGHFLEQ-KRWDZBQOSA-N -1 0 368.437 2.101 50 0 FEAARM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(C(C)(C)C)c1[O-] ZINC000020611877 539676148 /nfs/dbraw/zinc/67/61/48/539676148.db2.gz FXPRZMZRIVWHDM-MRXNPFEDSA-N -1 0 368.437 2.056 50 0 FEAARM COc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019880422 539670460 /nfs/dbraw/zinc/67/04/60/539670460.db2.gz ZBQBLPLNQLCBNP-CYBMUJFWSA-N -1 0 358.375 2.213 50 0 FEAARM COc1cccc(N2C[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)c1 ZINC000001072213 219364089 /nfs/dbraw/zinc/36/40/89/219364089.db2.gz OBSYRFIMINGDML-CYBMUJFWSA-N -1 0 354.362 2.385 50 0 FEAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000029403978 539853075 /nfs/dbraw/zinc/85/30/75/539853075.db2.gz PSBIIIPTIYFSFE-UHFFFAOYSA-N -1 0 362.407 2.056 50 0 FEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000031722541 539917050 /nfs/dbraw/zinc/91/70/50/539917050.db2.gz VXTYMCRYHVZKRC-UHFFFAOYSA-N -1 0 357.391 2.430 50 0 FEAARM Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)cn1 ZINC000219346542 209682747 /nfs/dbraw/zinc/68/27/47/209682747.db2.gz WTEZQBPDAOXORH-IAGOWNOFSA-N -1 0 356.378 2.055 50 0 FEAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578174 209676883 /nfs/dbraw/zinc/67/68/83/209676883.db2.gz DEJNIXBXQUSREJ-CQSZACIVSA-N -1 0 361.471 2.379 50 0 FEAARM Cc1cccc(C)c1-n1nnnc1C1(NC(=O)CCC(=O)[O-])CCCCC1 ZINC000055174629 209636561 /nfs/dbraw/zinc/63/65/61/209636561.db2.gz RRVOXHUKUNORHR-UHFFFAOYSA-N -1 0 371.441 2.420 50 0 FEAARM O=C([O-])CNc1cccc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000055182799 540633407 /nfs/dbraw/zinc/63/34/07/540633407.db2.gz JKTDRWXNEQGJRB-GOSISDBHSA-N -1 0 369.421 2.400 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000238096911 209359745 /nfs/dbraw/zinc/35/97/45/209359745.db2.gz VWYBCIDMWPMNGU-AWEZNQCLSA-N -1 0 361.373 2.107 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1csc(-c2ncccn2)n1 ZINC000238048458 209358380 /nfs/dbraw/zinc/35/83/80/209358380.db2.gz NLOCLAKXQNBNDW-CQSZACIVSA-N -1 0 366.402 2.252 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000238050795 209357753 /nfs/dbraw/zinc/35/77/53/209357753.db2.gz CWUADHGWTZRDDP-ZDUSSCGKSA-N -1 0 357.328 2.439 50 0 FEAARM Cn1cc(-c2ncc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)s2)cn1 ZINC000237804932 209354446 /nfs/dbraw/zinc/35/44/46/209354446.db2.gz WIKYQKOCIUKWEP-DRZSPHRISA-N -1 0 360.439 2.402 50 0 FEAARM COc1ccc(CCC(=O)N(CC(=O)[O-])C2CC2)cc1Br ZINC000037589146 209321514 /nfs/dbraw/zinc/32/15/14/209321514.db2.gz RJPKRDQJOHLANB-UHFFFAOYSA-N -1 0 356.216 2.466 50 0 FEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000064980668 541222343 /nfs/dbraw/zinc/22/23/43/541222343.db2.gz RQJBXPCGBWIPHP-UHFFFAOYSA-N -1 0 369.465 2.402 50 0 FEAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(=O)n(CC)nc(C)n2c1 ZINC000065247052 541230249 /nfs/dbraw/zinc/23/02/49/541230249.db2.gz QHDNFPDKFYRQQM-UHFFFAOYSA-N -1 0 360.439 2.188 50 0 FEAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1OC ZINC000102818205 209241832 /nfs/dbraw/zinc/24/18/32/209241832.db2.gz LDLLUNIFANAXMZ-JKSUJKDBSA-N -1 0 370.340 2.341 50 0 FEAARM CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccccc1 ZINC000101765746 209231079 /nfs/dbraw/zinc/23/10/79/209231079.db2.gz KIEQPCLOGITGMH-LBPRGKRZSA-N -1 0 358.423 2.236 50 0 FEAARM CCCN1c2ccc(S(=O)(=O)[N-]c3nnc[nH]3)c3cccc(c23)C1=O ZINC000041125288 209228254 /nfs/dbraw/zinc/22/82/54/209228254.db2.gz NWNCEALZKCZBFG-UHFFFAOYSA-N -1 0 357.395 2.129 50 0 FEAARM O=C([O-])c1cn(C[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)nn1 ZINC000067820539 541517789 /nfs/dbraw/zinc/51/77/89/541517789.db2.gz ACNDAOXXPRZKLK-JTQLQIEISA-N -1 0 355.320 2.307 50 0 FEAARM CC(=O)N[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1c(F)cccc1F ZINC000236721642 209199363 /nfs/dbraw/zinc/19/93/63/209199363.db2.gz KVFLMDGKSHLWKV-CYBMUJFWSA-N -1 0 354.353 2.046 50 0 FEAARM Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000097713504 209193735 /nfs/dbraw/zinc/19/37/35/209193735.db2.gz SDQMZWZNEDRHJT-JKSUJKDBSA-N -1 0 352.394 2.030 50 0 FEAARM O=C([O-])Cn1nc(Cc2cccs2)nc1[C@H]1CC(=O)Nc2ccccc21 ZINC000097654168 209190126 /nfs/dbraw/zinc/19/01/26/209190126.db2.gz YQHTYMYLFKOBFW-ZDUSSCGKSA-N -1 0 368.418 2.489 50 0 FEAARM O=C([O-])c1cc(-c2ccccc2CO)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071747974 541769346 /nfs/dbraw/zinc/76/93/46/541769346.db2.gz HKYHOTYMOSUZAV-UHFFFAOYSA-N -1 0 361.419 2.329 50 0 FEAARM CN(CC(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1)Cc1ccncc1 ZINC000072167311 541794277 /nfs/dbraw/zinc/79/42/77/541794277.db2.gz IZJJRZGPOUYXNU-INIZCTEOSA-N -1 0 353.422 2.228 50 0 FEAARM Cc1c2ccccc2[nH]c1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072407773 541805754 /nfs/dbraw/zinc/80/57/54/541805754.db2.gz LLZNDKKNRKYJIJ-UHFFFAOYSA-N -1 0 352.394 2.389 50 0 FEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3onc4ccccc43)CC2)c1 ZINC000072426172 541811042 /nfs/dbraw/zinc/81/10/42/541811042.db2.gz IQABNSWKGOFENM-UHFFFAOYSA-N -1 0 354.366 2.049 50 0 FEAARM CCNc1ncc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000072421498 541809477 /nfs/dbraw/zinc/80/94/77/541809477.db2.gz XIIMQBRADDLBNQ-CQSZACIVSA-N -1 0 354.410 2.311 50 0 FEAARM COCCc1nc(-c2noc(C)c2COC)n(-c2ccccc2C(=O)[O-])n1 ZINC000096167005 209130850 /nfs/dbraw/zinc/13/08/50/209130850.db2.gz QJHPSJUPIYUWEN-UHFFFAOYSA-N -1 0 372.381 2.264 50 0 FEAARM CN(C)c1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC000000938450 206847395 /nfs/dbraw/zinc/84/73/95/206847395.db2.gz WMUVSGBCOCOYCQ-AWEZNQCLSA-N -1 0 371.418 2.270 50 0 FEAARM CCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002117876 206902278 /nfs/dbraw/zinc/90/22/78/206902278.db2.gz HNPIQGSCCFRCHL-BZNIZROVSA-N -1 0 373.405 2.419 50 0 biogenic FEAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002103472 206902784 /nfs/dbraw/zinc/90/27/84/206902784.db2.gz OOPGGGUGZOPKIG-LBPRGKRZSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002103473 206902952 /nfs/dbraw/zinc/90/29/52/206902952.db2.gz OOPGGGUGZOPKIG-GFCCVEGCSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM O=C([O-])c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1 ZINC000004270827 207011242 /nfs/dbraw/zinc/01/12/42/207011242.db2.gz GTAPKMZPZJWPRH-UHFFFAOYSA-N -1 0 373.369 2.230 50 0 FEAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000004351241 207015563 /nfs/dbraw/zinc/01/55/63/207015563.db2.gz FTLWSBOSABVFEE-GHRIWEEISA-N -1 0 352.390 2.357 50 0 biogenic FEAARM Cc1ccc(NC(=O)c2n[nH]nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004497831 207022590 /nfs/dbraw/zinc/02/25/90/207022590.db2.gz TUUDTXKDUJEZJJ-UHFFFAOYSA-N -1 0 371.422 2.475 50 0 FEAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)[nH]c2c1 ZINC000004411702 207018905 /nfs/dbraw/zinc/01/89/05/207018905.db2.gz YHFLKSBFZCTIOO-UHFFFAOYSA-N -1 0 353.787 2.319 50 0 FEAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000006859742 207172174 /nfs/dbraw/zinc/17/21/74/207172174.db2.gz TUTKSZFUKVCFOF-UHFFFAOYSA-N -1 0 371.827 2.224 50 0 FEAARM COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000007361831 207194492 /nfs/dbraw/zinc/19/44/92/207194492.db2.gz CDMZCKAHZDKHSA-UHFFFAOYSA-N -1 0 351.380 2.268 50 0 FEAARM COC(=O)[C@]([N-]c1nc2ccc(F)cc2s1)(NC(C)=O)C(F)(F)F ZINC000009332255 207267089 /nfs/dbraw/zinc/26/70/89/207267089.db2.gz NWAFINYAYXIPQO-GFCCVEGCSA-N -1 0 365.308 2.415 50 0 FEAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000011615689 207315171 /nfs/dbraw/zinc/31/51/71/207315171.db2.gz KLFFBWHXLKKNQA-UHFFFAOYSA-N -1 0 370.456 2.429 50 0 FEAARM COc1ccc(-c2nc(CN3CCC[C@H]3c3n[nH]c(=O)[n-]3)c(C)o2)cc1 ZINC000011843451 207326564 /nfs/dbraw/zinc/32/65/64/207326564.db2.gz FKUPHBIVUSSXKR-HNNXBMFYSA-N -1 0 355.398 2.407 50 0 FEAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C(=O)OC ZINC000012369657 207365354 /nfs/dbraw/zinc/36/53/54/207365354.db2.gz GDOWTWFTOMAPEO-UHFFFAOYSA-N -1 0 357.819 2.452 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncccc3O)c2)no1 ZINC000022265406 207801442 /nfs/dbraw/zinc/80/14/42/207801442.db2.gz PUQIFCLQKZZGTG-UHFFFAOYSA-N -1 0 374.378 2.137 50 0 FEAARM Cc1c2c(cc(=O)n1CCc1c[nH]cn1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000030822922 208006055 /nfs/dbraw/zinc/00/60/55/208006055.db2.gz OPGKXFXKZXGXLQ-UHFFFAOYSA-N -1 0 369.812 2.408 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCCC3)c2c1 ZINC000031819993 208018387 /nfs/dbraw/zinc/01/83/87/208018387.db2.gz FFOCXHQSWNAGKM-QGZVFWFLSA-N -1 0 359.382 2.193 50 0 FEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000032906669 208055168 /nfs/dbraw/zinc/05/51/68/208055168.db2.gz MSHUHKIZEDYVNK-UHFFFAOYSA-N -1 0 355.437 2.208 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1F ZINC000042267639 208291797 /nfs/dbraw/zinc/29/17/97/208291797.db2.gz QEXCNELFHCTCDU-UHFFFAOYSA-N -1 0 371.773 2.369 50 0 FEAARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)nc2)cc1OC ZINC000042289592 208291918 /nfs/dbraw/zinc/29/19/18/208291918.db2.gz WEWUTXRZXQYBCG-UHFFFAOYSA-N -1 0 370.814 2.261 50 0 FEAARM CC(C)[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000299743417 208337324 /nfs/dbraw/zinc/33/73/24/208337324.db2.gz KZMAHCZVDKOLMY-WMLDXEAASA-N -1 0 359.488 2.082 50 0 FEAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000299744153 208339924 /nfs/dbraw/zinc/33/99/24/208339924.db2.gz RFUKPBWZSWMBEE-JTQLQIEISA-N -1 0 368.315 2.141 50 0 FEAARM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299747641 208342414 /nfs/dbraw/zinc/34/24/14/208342414.db2.gz DNDCSSWGUPCKKQ-TZMCWYRMSA-N -1 0 370.243 2.330 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000299747864 208342753 /nfs/dbraw/zinc/34/27/53/208342753.db2.gz FKGYIPJDFQNZLY-NSHDSACASA-N -1 0 358.375 2.482 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000299747810 208343146 /nfs/dbraw/zinc/34/31/46/208343146.db2.gz FDOSXLFBPQNDCB-QWHCGFSZSA-N -1 0 368.227 2.292 50 0 FEAARM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cccc1N1CCNC1=O ZINC000299749297 208354427 /nfs/dbraw/zinc/35/44/27/208354427.db2.gz JWFJSNIDEAVEQK-UHFFFAOYSA-N -1 0 353.378 2.153 50 0 FEAARM CN1CCC(=O)Nc2cc(C(=O)NCc3ccc(C(=O)[O-])cc3)ccc21 ZINC000299749823 208356292 /nfs/dbraw/zinc/35/62/92/208356292.db2.gz LTELNJRWGGHELR-UHFFFAOYSA-N -1 0 353.378 2.093 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1 ZINC000299752087 208360173 /nfs/dbraw/zinc/36/01/73/208360173.db2.gz SRYQXLHXMHHTGP-MRXNPFEDSA-N -1 0 371.368 2.301 50 0 FEAARM Cc1nn(-c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2)c(C)c1Cl ZINC000299752868 208363126 /nfs/dbraw/zinc/36/31/26/208363126.db2.gz VUVXINXUKSOPDG-CQSZACIVSA-N -1 0 363.801 2.068 50 0 FEAARM COCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000065047721 208632092 /nfs/dbraw/zinc/63/20/92/208632092.db2.gz MYZUXWNNKBPXKJ-UHFFFAOYSA-N -1 0 364.807 2.201 50 0 FEAARM O=C([O-])c1cc(-c2cncnc2)cc(S(=O)(=O)NC2CCCCC2)c1 ZINC000071760188 208777065 /nfs/dbraw/zinc/77/70/65/208777065.db2.gz TUIDYOPRTAZAAD-UHFFFAOYSA-N -1 0 361.423 2.453 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 ZINC000089774512 208970420 /nfs/dbraw/zinc/97/04/20/208970420.db2.gz HXGWYFDLPLAKAT-ZDUSSCGKSA-N -1 0 357.328 2.439 50 0 FEAARM Cc1ccccc1CCC(=O)N1CCC2(CCC(=O)N(CC(=O)[O-])C2)CC1 ZINC000091381481 208976065 /nfs/dbraw/zinc/97/60/65/208976065.db2.gz MGXBMWSAKACAGY-UHFFFAOYSA-N -1 0 372.465 2.243 50 0 FEAARM CCn1c(C)cc(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1=O ZINC000091893558 209004114 /nfs/dbraw/zinc/00/41/14/209004114.db2.gz SZHAMLTWGRSMIE-DLBZAZTESA-N -1 0 368.433 2.425 50 0 FEAARM CCN(CC(=O)N[C@@](C)(COC)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000095989846 209094013 /nfs/dbraw/zinc/09/40/13/209094013.db2.gz ICIMXRYTINLDJV-QGZVFWFLSA-N -1 0 356.850 2.158 50 0 FEAARM COc1cccc([C@@H]2CN(c3nc(C)cnc3C)C[C@H]2C(=O)[O-])c1OC ZINC000091997273 209008810 /nfs/dbraw/zinc/00/88/10/209008810.db2.gz RQTJHJDTUBOCIB-LSDHHAIUSA-N -1 0 357.410 2.415 50 0 FEAARM C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000095349577 209023419 /nfs/dbraw/zinc/02/34/19/209023419.db2.gz ISPSADXAEWNFEC-GOEBONIOSA-N -1 0 358.438 2.500 50 0 FEAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)c1 ZINC000095390131 209045721 /nfs/dbraw/zinc/04/57/21/209045721.db2.gz YPEBOJGTSRRHNP-SFHVURJKSA-N -1 0 360.454 2.203 50 0 FEAARM Cc1nn(C)cc1NC(=O)CN1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095389178 209046273 /nfs/dbraw/zinc/04/62/73/209046273.db2.gz VXODLMAVUZPMHA-INIZCTEOSA-N -1 0 356.426 2.245 50 0 FEAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c[nH]1 ZINC000078967469 542491509 /nfs/dbraw/zinc/49/15/09/542491509.db2.gz QOGXVUOURLMBGO-UHFFFAOYSA-N -1 0 366.395 2.087 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 ZINC000069602654 221327586 /nfs/dbraw/zinc/32/75/86/221327586.db2.gz PKWDERXOXKKZCV-YCRREMRBSA-N -1 0 359.403 2.148 50 0 FEAARM Nc1cc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)ncn1 ZINC000077520746 132188654 /nfs/dbraw/zinc/18/86/54/132188654.db2.gz QMTMKOQSWSIOHZ-UHFFFAOYSA-N -1 0 365.393 2.110 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCN2C(=O)CCc3ccccc32)C1 ZINC000237957024 132249098 /nfs/dbraw/zinc/24/90/98/132249098.db2.gz FQKZGDFZQRMHNH-HNNXBMFYSA-N -1 0 358.438 2.459 50 0 FEAARM Cc1ncc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)c(C(C)C)n1 ZINC000170627045 132265153 /nfs/dbraw/zinc/26/51/53/132265153.db2.gz OTFXCMGDYXLPEF-UHFFFAOYSA-N -1 0 374.466 2.336 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000215478806 132270343 /nfs/dbraw/zinc/27/03/43/132270343.db2.gz ZMJXZHUJTBPFLO-IBGZPJMESA-N -1 0 366.417 2.175 50 0 FEAARM CC(C)[C@H](O)C1CCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CC1 ZINC000072436415 136147315 /nfs/dbraw/zinc/14/73/15/136147315.db2.gz KPHUSIFXADVAFB-KRWDZBQOSA-N -1 0 356.426 2.470 50 0 FEAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000426406057 263578894 /nfs/dbraw/zinc/57/88/94/263578894.db2.gz IBZACHMNORJOAB-CQSZACIVSA-N -1 0 366.421 2.398 50 0 FEAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000426523758 263620232 /nfs/dbraw/zinc/62/02/32/263620232.db2.gz YWQKYTRIPBRXLA-OAHLLOKOSA-N -1 0 352.394 2.469 50 0 FEAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)nc1 ZINC000153488780 326734140 /nfs/dbraw/zinc/73/41/40/326734140.db2.gz VMOQYSXGEHOTKI-UHFFFAOYSA-N -1 0 353.350 2.287 50 0 FEAARM Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000154754248 326768054 /nfs/dbraw/zinc/76/80/54/326768054.db2.gz KBHUEHKDRGAGBL-UHFFFAOYSA-N -1 0 364.405 2.184 50 0 FEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000262287366 328856977 /nfs/dbraw/zinc/85/69/77/328856977.db2.gz ZVHQNFCSLJUVEL-GDBMZVCRSA-N -1 0 362.401 2.425 50 0 FEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000262643659 328878196 /nfs/dbraw/zinc/87/81/96/328878196.db2.gz HWFOHGWRGXCELY-MRXNPFEDSA-N -1 0 353.378 2.413 50 0 FEAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000268944477 523661139 /nfs/dbraw/zinc/66/11/39/523661139.db2.gz MEIQSYARTNUQPC-NWDGAFQWSA-N -1 0 361.316 2.248 50 0 FEAARM Cc1cnc(C)c(N2CCN(Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)n1 ZINC000216509342 525984237 /nfs/dbraw/zinc/98/42/37/525984237.db2.gz YOJQGCQQILJFJW-MRXNPFEDSA-N -1 0 370.453 2.268 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000269039318 527630316 /nfs/dbraw/zinc/63/03/16/527630316.db2.gz QALISCYFUJEAFN-RTXFEEFZSA-N -1 0 373.327 2.391 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000170584768 546162176 /nfs/dbraw/zinc/16/21/76/546162176.db2.gz FCSAFZPSSUJWIM-QAPCUYQASA-N -1 0 366.373 2.120 50 0 FEAARM CCCCOc1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000170607782 546165104 /nfs/dbraw/zinc/16/51/04/546165104.db2.gz DAPJENUWXWFKSR-UHFFFAOYSA-N -1 0 353.382 2.387 50 0 FEAARM O=C(CC[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000170652312 546168521 /nfs/dbraw/zinc/16/85/21/546168521.db2.gz WZADCOMBPLVFJI-LBPRGKRZSA-N -1 0 366.414 2.386 50 0 FEAARM Cc1cc2cc(CNC(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)ccc2[nH]1 ZINC000222357182 548706707 /nfs/dbraw/zinc/70/67/07/548706707.db2.gz IFZLRSDTPKQROG-HXUWFJFHSA-N -1 0 371.437 2.386 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc2[n-]c1=S ZINC000230227080 548759233 /nfs/dbraw/zinc/75/92/33/548759233.db2.gz VYTYRYBNDXTYLG-JGGQBBKZSA-N -1 0 373.478 2.393 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000236716310 548775232 /nfs/dbraw/zinc/77/52/32/548775232.db2.gz UMLVEKNPCUAASZ-OAHLLOKOSA-N -1 0 352.818 2.231 50 0 FEAARM CSCC[C@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000253413158 549687594 /nfs/dbraw/zinc/68/75/94/549687594.db2.gz TZEUBUCXYXTIOV-AWEZNQCLSA-N -1 0 365.430 2.389 50 0 FEAARM CCc1nc(COc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)no1 ZINC000262397372 549816546 /nfs/dbraw/zinc/81/65/46/549816546.db2.gz GXXSOGMKPPAXAR-UHFFFAOYSA-N -1 0 359.382 2.148 50 0 FEAARM C[C@H](C(=O)[O-])N(C(=O)c1ccccc1I)C1CC1 ZINC000262611153 549832271 /nfs/dbraw/zinc/83/22/71/549832271.db2.gz LECMGNVFGRWAIC-MRVPVSSYSA-N -1 0 359.163 2.369 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1cnc2ccccc2c1=O ZINC000265552112 550011282 /nfs/dbraw/zinc/01/12/82/550011282.db2.gz HEELOQPGIZPRDQ-COXVUDFISA-N -1 0 369.421 2.031 50 0 FEAARM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)n1 ZINC000330424721 554120383 /nfs/dbraw/zinc/12/03/83/554120383.db2.gz IRYPWZCOYJDLLP-RXMQYKEDSA-N -1 0 352.235 2.242 50 0 FEAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000334007710 554667511 /nfs/dbraw/zinc/66/75/11/554667511.db2.gz UTMIJNRZJGMDIG-OAHLLOKOSA-N -1 0 361.822 2.226 50 0 FEAARM COc1ccc(CCC(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)cc1 ZINC000426489577 559735795 /nfs/dbraw/zinc/73/57/95/559735795.db2.gz FJWBFWCXHDJDKZ-INIZCTEOSA-N -1 0 371.437 2.315 50 0 FEAARM COc1ccccc1CCC(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426716204 559740835 /nfs/dbraw/zinc/74/08/35/559740835.db2.gz VLIWQTGHAPBNII-MRXNPFEDSA-N -1 0 371.437 2.315 50 0 FEAARM C[C@H]1c2ccccc2O[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000118145568 571175498 /nfs/dbraw/zinc/17/54/98/571175498.db2.gz SLJMXELQAVNDMZ-ZUZCIYMTSA-N -1 0 366.826 2.246 50 0 FEAARM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000675041549 601688734 /nfs/dbraw/zinc/68/87/34/601688734.db2.gz PXYDAENJHGSBKT-UHFFFAOYSA-N -1 0 352.293 2.320 50 0 FEAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)[O-])CC3)c12 ZINC000002122314 539344727 /nfs/dbraw/zinc/34/47/27/539344727.db2.gz HEBSLKYYHMZVRZ-UHFFFAOYSA-N -1 0 373.405 2.366 50 0 biogenic FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000002737119 539351860 /nfs/dbraw/zinc/35/18/60/539351860.db2.gz UQJBOAHFSSEBFF-NYYWCZLTSA-N -1 0 362.382 2.302 50 0 FEAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCC4)n1 ZINC000002781358 539352954 /nfs/dbraw/zinc/35/29/54/539352954.db2.gz HQBZXBIKHTZFPE-UHFFFAOYSA-N -1 0 357.439 2.246 50 0 FEAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCC ZINC000004185486 539378453 /nfs/dbraw/zinc/37/84/53/539378453.db2.gz ZKHWRPKYNWXDPY-UXBLZVDNSA-N -1 0 355.188 2.427 50 0 FEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000004200317 539378577 /nfs/dbraw/zinc/37/85/77/539378577.db2.gz MATKQBMBHKZQDC-AWEZNQCLSA-N -1 0 350.415 2.103 50 0 FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc12 ZINC000004064912 539375452 /nfs/dbraw/zinc/37/54/52/539375452.db2.gz SXMNRLQIXOVXCY-AWEZNQCLSA-N -1 0 359.378 2.124 50 0 biogenic FEAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000004736583 539390966 /nfs/dbraw/zinc/39/09/66/539390966.db2.gz BZXZIOHFPDCJPX-GFCCVEGCSA-N -1 0 366.464 2.458 50 0 FEAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)NC1CCCCC1 ZINC000004853655 539394104 /nfs/dbraw/zinc/39/41/04/539394104.db2.gz KBTILGPMGZNQTE-UHFFFAOYSA-N -1 0 371.459 2.478 50 0 FEAARM O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809277 539393064 /nfs/dbraw/zinc/39/30/64/539393064.db2.gz UHQYJGQTIVPCBJ-AWEZNQCLSA-N -1 0 360.435 2.396 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000006706463 539434807 /nfs/dbraw/zinc/43/48/07/539434807.db2.gz SNIKPQYTEWUVSC-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=S)NCc2ccco2)cc1 ZINC000006826057 539439124 /nfs/dbraw/zinc/43/91/24/539439124.db2.gz GBUANDXDBVXVCA-UHFFFAOYSA-N -1 0 367.496 2.435 50 0 FEAARM COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C(=O)[O-])c3ccc(O)cc3)cc21 ZINC000008764217 539491422 /nfs/dbraw/zinc/49/14/22/539491422.db2.gz ZJYIPRGQCKJXFI-MRXNPFEDSA-N -1 0 370.361 2.446 50 0 FEAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NCc1ccccc1 ZINC000009530176 539503698 /nfs/dbraw/zinc/50/36/98/539503698.db2.gz VAJOUUZYDZKKNT-UHFFFAOYSA-N -1 0 361.448 2.206 50 0 FEAARM CCC1C(=O)N=C(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)N=C1[O-] ZINC000010060473 539511863 /nfs/dbraw/zinc/51/18/63/539511863.db2.gz NBDBFJAZLAOXAY-JTQLQIEISA-N -1 0 361.423 2.360 50 0 FEAARM Cc1cc(S(=O)(=O)Nc2ccc3[nH]cnc3c2)ccc1OCC(=O)[O-] ZINC000328595902 210109791 /nfs/dbraw/zinc/10/97/91/210109791.db2.gz JRHFQBBRGZMDPD-UHFFFAOYSA-N -1 0 361.379 2.136 50 0 FEAARM O=C([O-])[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000011847373 539537301 /nfs/dbraw/zinc/53/73/01/539537301.db2.gz DKIDUEFGXKKXNI-UTHRFFRBSA-N -1 0 354.399 2.316 50 0 FEAARM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012521242 539562634 /nfs/dbraw/zinc/56/26/34/539562634.db2.gz BKKJNRULLCVXEX-UHFFFAOYSA-N -1 0 360.482 2.237 50 0 FEAARM O=C([O-])c1cccc(NC(=O)CN2CCC([C@H](O)c3ccccn3)CC2)c1 ZINC000299767101 210014353 /nfs/dbraw/zinc/01/43/53/210014353.db2.gz DWNXUHKPDOQMJW-IBGZPJMESA-N -1 0 369.421 2.164 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCC3)c1 ZINC000024426723 539730585 /nfs/dbraw/zinc/73/05/85/539730585.db2.gz SCEVFOURBWGXKY-UHFFFAOYSA-N -1 0 359.411 2.297 50 0 FEAARM Cc1ccc(CN2CCN(Cc3ccc(C(=O)[O-])cc3)C(=O)C2=O)cc1 ZINC000032918684 539959746 /nfs/dbraw/zinc/95/97/46/539959746.db2.gz NZKASKHFFIFDPG-UHFFFAOYSA-N -1 0 352.390 2.064 50 0 FEAARM COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)[O-])c1)c2=O ZINC000032959308 539960949 /nfs/dbraw/zinc/96/09/49/539960949.db2.gz TVHOVOOOIYQJOV-UHFFFAOYSA-N -1 0 356.359 2.159 50 0 FEAARM CCOc1cc(NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)ccc1OC ZINC000225487947 222845304 /nfs/dbraw/zinc/84/53/04/222845304.db2.gz ITDDMHWBYBLMSE-XHDPSFHLSA-N -1 0 352.387 2.095 50 0 FEAARM CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000037079555 539995697 /nfs/dbraw/zinc/99/56/97/539995697.db2.gz LMABXUDWXCETFL-UHFFFAOYSA-N -1 0 354.247 2.382 50 0 FEAARM CC(=O)N[C@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)C1CCCC1 ZINC000236679833 222904626 /nfs/dbraw/zinc/90/46/26/222904626.db2.gz PTAZSFBINUIZHU-SFHVURJKSA-N -1 0 372.465 2.326 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(Br)cc2F)CCO1 ZINC000238047265 222913236 /nfs/dbraw/zinc/91/32/36/222913236.db2.gz UQDGTGFTMDVIOD-LBPRGKRZSA-N -1 0 374.206 2.223 50 0 FEAARM Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000237447089 222907439 /nfs/dbraw/zinc/90/74/39/222907439.db2.gz DKGDSAVIAWVAQJ-GHMZBOCLSA-N -1 0 356.216 2.458 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000043701104 540106757 /nfs/dbraw/zinc/10/67/57/540106757.db2.gz BASLQRQSVVUTPS-JTQLQIEISA-N -1 0 362.245 2.145 50 0 FEAARM CN1C[C@@]2(CCCN(C(=O)c3cc(=O)c4cccc(F)c4[n-]3)CC2)OC1=O ZINC000072150820 541789697 /nfs/dbraw/zinc/78/96/97/541789697.db2.gz RIOJYBKFXOKPTL-IBGZPJMESA-N -1 0 373.384 2.114 50 0 FEAARM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1F)n(C)c(=O)n2C ZINC000064591947 212040225 /nfs/dbraw/zinc/04/02/25/212040225.db2.gz DJNMVNBSVWHTOZ-UHFFFAOYSA-N -1 0 367.377 2.264 50 0 FEAARM Cc1noc(C)c1C(=O)N1CCC(Oc2cccnc2C)(C(=O)[O-])CC1 ZINC000072429932 541811900 /nfs/dbraw/zinc/81/19/00/541811900.db2.gz OZDMHPHXUBMMDL-UHFFFAOYSA-N -1 0 359.382 2.133 50 0 FEAARM Cc1ncsc1CCC(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072469080 541817668 /nfs/dbraw/zinc/81/76/68/541817668.db2.gz OHEMAEXQIFQPPJ-UHFFFAOYSA-N -1 0 362.455 2.030 50 0 FEAARM Cc1noc(-c2ccc(N3CCCn4nc(CCC(=O)[O-])cc4C3)nc2)n1 ZINC000072438506 541815254 /nfs/dbraw/zinc/81/52/54/541815254.db2.gz TXXDWGUWKUXRNP-UHFFFAOYSA-N -1 0 368.397 2.064 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)CCCC(=O)c1ccccc1)C2 ZINC000072454372 541815684 /nfs/dbraw/zinc/81/56/84/541815684.db2.gz BCCOJOPRMDAHQR-UHFFFAOYSA-N -1 0 369.421 2.296 50 0 FEAARM CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)[O-])cs2)cc1 ZINC000013414819 220067039 /nfs/dbraw/zinc/06/70/39/220067039.db2.gz FSRLDQFPMNQAML-UHFFFAOYSA-N -1 0 365.436 2.459 50 0 FEAARM O=C([O-])C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1 ZINC000299752086 211835889 /nfs/dbraw/zinc/83/58/89/211835889.db2.gz SRYQXLHXMHHTGP-INIZCTEOSA-N -1 0 371.368 2.301 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000299750165 211830912 /nfs/dbraw/zinc/83/09/12/211830912.db2.gz MQYNMVAAWNADQT-KBMXLJTQSA-N -1 0 370.405 2.348 50 0 FEAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000299742703 211822976 /nfs/dbraw/zinc/82/29/76/211822976.db2.gz IOMANKXLQRWMNT-SHARSMKWSA-N -1 0 350.459 2.317 50 0 FEAARM CC(C)CN(CCC(=O)[O-])C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000299742034 211822259 /nfs/dbraw/zinc/82/22/59/211822259.db2.gz ASOQHWRTKTXBDD-CQSZACIVSA-N -1 0 350.440 2.449 50 0 FEAARM CCOc1c(Br)cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000299743037 211822036 /nfs/dbraw/zinc/82/20/36/211822036.db2.gz LRBPTPBHRFMLMJ-SECBINFHSA-N -1 0 372.215 2.403 50 0 FEAARM COc1cccc(-c2cc(C(F)(F)F)n3nc(CC(=O)[O-])nc3n2)c1 ZINC000035655512 211643211 /nfs/dbraw/zinc/64/32/11/211643211.db2.gz XUEZJTVYRVAYRO-UHFFFAOYSA-N -1 0 352.272 2.446 50 0 FEAARM Cn1c2ccc(S(=O)(=O)[N-]c3cccc4cccnc43)cc2oc1=O ZINC000022903568 211367647 /nfs/dbraw/zinc/36/76/47/211367647.db2.gz ZDTIBBOEMAUHID-UHFFFAOYSA-N -1 0 355.375 2.481 50 0 FEAARM NC(=O)c1[n-]c(C(F)(F)F)c(Br)c(=O)c1Br ZINC000015085343 211122146 /nfs/dbraw/zinc/12/21/46/211122146.db2.gz IRLQZHJSJAYVRH-UHFFFAOYSA-N -1 0 363.915 2.430 50 0 FEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000013258018 211028656 /nfs/dbraw/zinc/02/86/56/211028656.db2.gz MDMVQVUJNHWKTP-INIZCTEOSA-N -1 0 361.419 2.344 50 0 FEAARM CCOC(=O)N1CCC(NC(=O)CSc2ccccc2C(=O)[O-])CC1 ZINC000012937393 211010096 /nfs/dbraw/zinc/01/00/96/211010096.db2.gz PPPMEHMGBAOMTM-UHFFFAOYSA-N -1 0 366.439 2.214 50 0 FEAARM Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000011865461 210900425 /nfs/dbraw/zinc/90/04/25/210900425.db2.gz WWHBUEWQELPWCK-CYBMUJFWSA-N -1 0 361.394 2.273 50 0 FEAARM CC(=O)Nc1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000011766653 210893511 /nfs/dbraw/zinc/89/35/11/210893511.db2.gz QDROQXXETZZESM-UHFFFAOYSA-N -1 0 368.455 2.349 50 0 FEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)N1 ZINC000004554646 210539962 /nfs/dbraw/zinc/53/99/62/210539962.db2.gz QYINCPWVXWEDGG-CJNGLKHVSA-N -1 0 373.386 2.423 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3cn4c(n3)SCC4)n2)c1 ZINC000077321428 542366492 /nfs/dbraw/zinc/36/64/92/542366492.db2.gz YHGWAHHTDNMDCH-UHFFFAOYSA-N -1 0 354.395 2.151 50 0 FEAARM CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])c(C(=O)OCC)c1C ZINC000002314770 210389975 /nfs/dbraw/zinc/38/99/75/210389975.db2.gz XNHIOWWGHQRXRC-UHFFFAOYSA-N -1 0 357.384 2.213 50 0 FEAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000002152231 210382299 /nfs/dbraw/zinc/38/22/99/210382299.db2.gz DRDRTRQEZRQJEA-GFCCVEGCSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000002108242 210379949 /nfs/dbraw/zinc/37/99/49/210379949.db2.gz ZXOHMCLAHRPJCP-OAHLLOKOSA-N -1 0 361.394 2.499 50 0 biogenic FEAARM CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1cc3ccccc3o1)c2=O ZINC000010250972 210344658 /nfs/dbraw/zinc/34/46/58/210344658.db2.gz MBQPFWJUKNBFKD-UHFFFAOYSA-N -1 0 351.366 2.478 50 0 FEAARM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC000001139052 210323508 /nfs/dbraw/zinc/32/35/08/210323508.db2.gz HOQRFVHITFXABQ-LFYBBSHMSA-N -1 0 374.418 2.172 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001013728 210302370 /nfs/dbraw/zinc/30/23/70/210302370.db2.gz ZEAJPTXSBHXZSG-UHFFFAOYSA-N -1 0 352.799 2.417 50 0 FEAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(OC)c2)s1 ZINC000065183722 221175307 /nfs/dbraw/zinc/17/53/07/221175307.db2.gz IGUXHMBPYFRJBF-UHFFFAOYSA-N -1 0 352.441 2.471 50 0 FEAARM COc1ccccc1-c1nnc(SCC(=O)[O-])n1-c1cc(C)nn1C ZINC000065380946 221205929 /nfs/dbraw/zinc/20/59/29/221205929.db2.gz ULHHMENUJOKTRA-UHFFFAOYSA-N -1 0 359.411 2.162 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cc2c1=O ZINC000065247028 221187272 /nfs/dbraw/zinc/18/72/72/221187272.db2.gz DWXONXNJPSCSPW-UHFFFAOYSA-N -1 0 364.402 2.073 50 0 FEAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cn21 ZINC000065247234 221187282 /nfs/dbraw/zinc/18/72/82/221187282.db2.gz KYNZHMOHDYZLGU-UHFFFAOYSA-N -1 0 360.439 2.013 50 0 FEAARM O=C(NCc1ccccc1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249874 221187601 /nfs/dbraw/zinc/18/76/01/221187601.db2.gz XKMAKQDENKPKHQ-UHFFFAOYSA-N -1 0 374.400 2.409 50 0 FEAARM COc1ccccc1-c1cccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000065398426 221212104 /nfs/dbraw/zinc/21/21/04/221212104.db2.gz MUZQSUVOMYRBDS-DOTOQJQBSA-N -1 0 355.390 2.412 50 0 FEAARM Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000067456151 221254198 /nfs/dbraw/zinc/25/41/98/221254198.db2.gz RNYKOPCWQGRBBU-HOTGVXAUSA-N -1 0 372.421 2.073 50 0 FEAARM CCn1cc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2OC)cn1 ZINC000067713425 221274995 /nfs/dbraw/zinc/27/49/95/221274995.db2.gz QGAZHWADPCJIQY-UHFFFAOYSA-N -1 0 359.411 2.336 50 0 FEAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1ccncc1Cl)CC2 ZINC000067804420 221286925 /nfs/dbraw/zinc/28/69/25/221286925.db2.gz DMXKQAYOEYHYGD-UHFFFAOYSA-N -1 0 360.801 2.238 50 0 FEAARM O=C([O-])c1ccc2cccc(NS(=O)(=O)NCc3ccccc3)c2n1 ZINC000071745839 221358204 /nfs/dbraw/zinc/35/82/04/221358204.db2.gz HEJQPFRTEMYXOM-UHFFFAOYSA-N -1 0 357.391 2.380 50 0 FEAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000102859700 132373927 /nfs/dbraw/zinc/37/39/27/132373927.db2.gz HVDMEZWBKFTDHZ-AWEZNQCLSA-N -1 0 353.783 2.381 50 0 FEAARM O=C([O-])c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCOCC1 ZINC000004543730 132377626 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558612013 /nfs/dbraw/zinc/61/20/13/558612013.db2.gz WDAOCJCCOZXXIV-UHFFFAOYSA-N -1 0 361.452 2.190 50 0 FEAARM Cc1nc(N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)nc2c1CCCC2 ZINC000426641568 559739399 /nfs/dbraw/zinc/73/93/99/559739399.db2.gz PQCWKSMMENQVIQ-AWEZNQCLSA-N -1 0 355.442 2.329 50 0 FEAARM Cc1cc(=O)[nH]c(CCNC(=O)N2CCOc3ccc(Cl)cc3C2)n1 ZINC000426711520 559740720 /nfs/dbraw/zinc/74/07/20/559740720.db2.gz WZVONSYPOMFGLH-UHFFFAOYSA-N -1 0 362.817 2.291 50 0 FEAARM CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2cnn(C(C)C)c2n1 ZINC000427976893 559766789 /nfs/dbraw/zinc/76/67/89/559766789.db2.gz KGTUYKUBNYWYCC-OAHLLOKOSA-N -1 0 360.414 2.061 50 0 FEAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C1CCN(CC(F)(F)F)CC1 ZINC000647741584 568274726 /nfs/dbraw/zinc/27/47/26/568274726.db2.gz VTUUVJYGMVZRCW-JTQLQIEISA-N -1 0 359.348 2.172 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000583650482 570812152 /nfs/dbraw/zinc/81/21/52/570812152.db2.gz COJAUXLQPRNXTN-DFBGVHRSSA-N -1 0 372.450 2.387 50 0 FEAARM COc1ccc(-n2c(=O)c(C(=O)NC(C)C)c([O-])c3cccnc32)cc1 ZINC000101723336 570822435 /nfs/dbraw/zinc/82/24/35/570822435.db2.gz KUHXLLSPRGKDED-UHFFFAOYSA-N -1 0 353.378 2.238 50 0 FEAARM O=C(c1cc2c(s1)CCCC2)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990077 570841892 /nfs/dbraw/zinc/84/18/92/570841892.db2.gz WFOXLQSWZSUSHU-UHFFFAOYSA-N -1 0 354.435 2.161 50 0 FEAARM CCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000045896180 570913554 /nfs/dbraw/zinc/91/35/54/570913554.db2.gz GVPZJLVCBAYVRM-CQSZACIVSA-N -1 0 357.370 2.004 50 0 FEAARM O=C([O-])[C@]1(O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000307116011 571114622 /nfs/dbraw/zinc/11/46/22/571114622.db2.gz OICZVVQCWNLPSJ-FQEVSTJZSA-N -1 0 353.374 2.457 50 0 FEAARM CSCc1ccc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)o1 ZINC000426389905 571219139 /nfs/dbraw/zinc/21/91/39/571219139.db2.gz SIXODPBCBJKQHV-GFCCVEGCSA-N -1 0 363.439 2.444 50 0 FEAARM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426398060 571219788 /nfs/dbraw/zinc/21/97/88/571219788.db2.gz NVQMEJLFGUQEKB-GFCCVEGCSA-N -1 0 361.423 2.252 50 0 FEAARM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000643971301 677235648 /nfs/dbraw/zinc/23/56/48/677235648.db2.gz IVQAGRFGMKWIAJ-HNNXBMFYSA-N -1 0 363.382 2.020 50 0 FEAARM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ncccc2C(=O)[O-])C1 ZINC000647451359 677301489 /nfs/dbraw/zinc/30/14/89/677301489.db2.gz VTDVUMQJHDPZAG-NSHDSACASA-N -1 0 359.348 2.407 50 0 FEAARM CC[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C(=O)[O-] ZINC000888093293 688545017 /nfs/dbraw/zinc/54/50/17/688545017.db2.gz OTDWLHHMCLARKY-KGLIPLIRSA-N -1 0 350.806 2.288 50 0 FEAARM COc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000100621233 210243280 /nfs/dbraw/zinc/24/32/80/210243280.db2.gz WRDZLSXXUBKXCE-UHFFFAOYSA-N -1 0 350.374 2.202 50 0 FEAARM O=C([O-])c1ccc(NC(=O)c2cc3ncc(Br)cn3n2)cc1 ZINC000002792452 539353725 /nfs/dbraw/zinc/35/37/25/539353725.db2.gz YSBLDEAYHXHDDM-UHFFFAOYSA-N -1 0 361.155 2.442 50 0 FEAARM Cc1cc2c(nc(C)n([N-]C(=O)c3nn(C)c(C)c3Cl)c2=O)s1 ZINC000002777859 539352838 /nfs/dbraw/zinc/35/28/38/539352838.db2.gz DADSOJCXGPWNLD-UHFFFAOYSA-N -1 0 351.819 2.154 50 0 FEAARM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2F)c1)N1CCOCC1 ZINC000002890871 539355835 /nfs/dbraw/zinc/35/58/35/539355835.db2.gz MZQHWFPJPSJVSQ-UHFFFAOYSA-N -1 0 364.398 2.099 50 0 FEAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000002970809 539357578 /nfs/dbraw/zinc/35/75/78/539357578.db2.gz UFHACUJVZPQDDB-DGCLKSJQSA-N -1 0 361.467 2.393 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)ccc1O ZINC000003653682 539373079 /nfs/dbraw/zinc/37/30/79/539373079.db2.gz BBRGGYHKFUMBOV-UHFFFAOYSA-N -1 0 367.360 2.059 50 0 FEAARM C[C@@H](Sc1nc2c(ncnc2N)n1CCOc1ccccc1)C(=O)[O-] ZINC000004178560 539378462 /nfs/dbraw/zinc/37/84/62/539378462.db2.gz GXEIYUHVXBSEDP-SNVBAGLBSA-N -1 0 359.411 2.053 50 0 FEAARM O=C([O-])CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000004024868 539375588 /nfs/dbraw/zinc/37/55/88/539375588.db2.gz PJOGIXPQIREQTD-SAPNQHFASA-N -1 0 352.390 2.439 50 0 biogenic FEAARM Cc1nc2nc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)nn2c(C)c1C ZINC000004593953 539389312 /nfs/dbraw/zinc/38/93/12/539389312.db2.gz YIZXQLFWUVUUPJ-UHFFFAOYSA-N -1 0 365.846 2.181 50 0 FEAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)no1 ZINC000004750343 539392273 /nfs/dbraw/zinc/39/22/73/539392273.db2.gz UPPCOEUGZZHDTM-UHFFFAOYSA-N -1 0 364.408 2.493 50 0 FEAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCC[C@H]3C(=O)[O-])ccc12 ZINC000004860542 539393777 /nfs/dbraw/zinc/39/37/77/539393777.db2.gz JDCPRLYIRIIRKP-NHYWBVRUSA-N -1 0 359.378 2.198 50 0 FEAARM C[S@@](=O)CC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005360336 539409330 /nfs/dbraw/zinc/40/93/30/539409330.db2.gz MDEZTJYZPLBVRB-CWKPULSASA-N -1 0 353.227 2.337 50 0 FEAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nnn[n-]2)c1 ZINC000005670242 539414657 /nfs/dbraw/zinc/41/46/57/539414657.db2.gz KUECFSHSRDNLBD-OAHLLOKOSA-N -1 0 371.372 2.321 50 0 FEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000006623293 539431931 /nfs/dbraw/zinc/43/19/31/539431931.db2.gz CABRFXBJJBAZSZ-UHFFFAOYSA-N -1 0 363.391 2.435 50 0 FEAARM O=C(NCc1cc(-c2ccccn2)no1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000221234338 222724011 /nfs/dbraw/zinc/72/40/11/222724011.db2.gz FEFROENGRXLIEQ-UHFFFAOYSA-N -1 0 361.361 2.146 50 0 FEAARM O=C([O-])COc1ccccc1/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O ZINC000008179900 539479244 /nfs/dbraw/zinc/47/92/44/539479244.db2.gz VKXQNOKEQJBEFN-QPEQYQDCSA-N -1 0 367.313 2.223 50 0 FEAARM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@H]2CCOC)n1 ZINC000328588204 210108291 /nfs/dbraw/zinc/10/82/91/210108291.db2.gz ZIPGCZWNOOWQLC-OAHLLOKOSA-N -1 0 359.426 2.018 50 0 FEAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)nc2[nH]c4ccccc4n23)cc1 ZINC000012321273 539554573 /nfs/dbraw/zinc/55/45/73/539554573.db2.gz LIAYBCAOAPHQJP-GFCCVEGCSA-N -1 0 374.356 2.348 50 0 FEAARM CCCCNC(=O)CCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000012415868 539559119 /nfs/dbraw/zinc/55/91/19/539559119.db2.gz KGLQPVBGNYKWDW-UHFFFAOYSA-N -1 0 363.439 2.152 50 0 FEAARM O=C(CCOc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299795538 210036595 /nfs/dbraw/zinc/03/65/95/210036595.db2.gz LFWACEDBXRKNKL-SNVBAGLBSA-N -1 0 360.391 2.380 50 0 FEAARM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000028254634 539829270 /nfs/dbraw/zinc/82/92/70/539829270.db2.gz HOZAYVGNXBXGOM-UHFFFAOYSA-N -1 0 350.421 2.198 50 0 FEAARM COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C(=O)[O-])CS3)cc2)o1 ZINC000036612342 539991487 /nfs/dbraw/zinc/99/14/87/539991487.db2.gz QCTNMYCHYJTWCU-DZGCQCFKSA-N -1 0 363.391 2.433 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2cc3cccc(Br)c3o2)CCO1 ZINC000043702716 540106877 /nfs/dbraw/zinc/10/68/77/540106877.db2.gz YMBGUHCYFGSRRZ-LLVKDONJSA-N -1 0 354.156 2.121 50 0 FEAARM C[C@]12CC[C@H]3[C@@]45CO[C@@]3(CC[C@@]4(O)C[C@H](O)CC5)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253596016 222993820 /nfs/dbraw/zinc/99/38/20/222993820.db2.gz MAUIYISYPHUCFP-SSKYDLQKSA-N -1 0 350.455 2.339 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000057115444 540769232 /nfs/dbraw/zinc/76/92/32/540769232.db2.gz ZFWGTPRHMDTRRX-LBPRGKRZSA-N -1 0 361.419 2.462 50 0 FEAARM CS(=O)(=O)c1nc(NC(=O)CC(c2ccccc2)c2ccccc2)n[n-]1 ZINC000058180282 540832184 /nfs/dbraw/zinc/83/21/84/540832184.db2.gz MUHWNDYCOIRLKS-UHFFFAOYSA-N -1 0 370.434 2.369 50 0 FEAARM CN(C)CC(=O)Nc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000058218705 540834451 /nfs/dbraw/zinc/83/44/51/540834451.db2.gz AKLIMGODKSBUMP-UHFFFAOYSA-N -1 0 361.829 2.476 50 0 FEAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065258797 541231817 /nfs/dbraw/zinc/23/18/17/541231817.db2.gz UAWSEDQPFSYIJB-UHFFFAOYSA-N -1 0 369.393 2.433 50 0 FEAARM CN1CCCn2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O ZINC000065258716 541231831 /nfs/dbraw/zinc/23/18/31/541231831.db2.gz AWEULJFVQTYMCZ-UHFFFAOYSA-N -1 0 353.831 2.418 50 0 FEAARM CCc1nc(C)cn1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c1 ZINC000072162921 541792579 /nfs/dbraw/zinc/79/25/79/541792579.db2.gz TZUDRWBVMBUDPE-UHFFFAOYSA-N -1 0 351.428 2.128 50 0 FEAARM O=C([O-])CC1(CNC(=O)Cn2nc(-c3ccco3)ccc2=O)CCCCC1 ZINC000061720825 212024563 /nfs/dbraw/zinc/02/45/63/212024563.db2.gz PKLRNZFRPVASLT-UHFFFAOYSA-N -1 0 373.409 2.045 50 0 FEAARM Cc1cccc(OC2(C(=O)[O-])CCN(c3ncnc4nc[nH]c43)CC2)c1 ZINC000072467859 541817350 /nfs/dbraw/zinc/81/73/50/541817350.db2.gz MIBCDNMUFPYMNG-UHFFFAOYSA-N -1 0 353.382 2.164 50 0 FEAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000058494835 212012487 /nfs/dbraw/zinc/01/24/87/212012487.db2.gz DLIRPVULQJTGKJ-UHFFFAOYSA-N -1 0 361.419 2.464 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2OCc2ccc(F)cc2)CCO1 ZINC000299753318 211838049 /nfs/dbraw/zinc/83/80/49/211838049.db2.gz XTYGWQFUOVIQID-QGZVFWFLSA-N -1 0 359.353 2.330 50 0 FEAARM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000013849419 220098499 /nfs/dbraw/zinc/09/84/99/220098499.db2.gz ONCRJCKEBFIVOJ-UHFFFAOYSA-N -1 0 354.378 2.396 50 0 FEAARM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000014097494 220106516 /nfs/dbraw/zinc/10/65/16/220106516.db2.gz QNMVADUUCYNAEX-UHFFFAOYSA-N -1 0 367.448 2.484 50 0 FEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000299750916 211836189 /nfs/dbraw/zinc/83/61/89/211836189.db2.gz OTRLFLYGHQXGIF-UHFFFAOYSA-N -1 0 371.368 2.326 50 0 FEAARM Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c12 ZINC000299749090 211829897 /nfs/dbraw/zinc/82/98/97/211829897.db2.gz JFFAPZJWOAADRP-OAHLLOKOSA-N -1 0 367.361 2.124 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000299740600 211809882 /nfs/dbraw/zinc/80/98/82/211809882.db2.gz AKZGAPVFSNYHBL-LLVKDONJSA-N -1 0 353.300 2.438 50 0 FEAARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC ZINC000042255499 211778840 /nfs/dbraw/zinc/77/88/40/211778840.db2.gz PXASVPJJWXETCB-UHFFFAOYSA-N -1 0 357.334 2.101 50 0 FEAARM COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000039954273 211710610 /nfs/dbraw/zinc/71/06/10/211710610.db2.gz UCMPQDOFNHHSGW-KBPBESRZSA-N -1 0 365.382 2.315 50 0 FEAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000075162080 542156944 /nfs/dbraw/zinc/15/69/44/542156944.db2.gz BAZUSCQEAYVPPI-UHFFFAOYSA-N -1 0 362.333 2.242 50 0 FEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2=O)s1 ZINC000020922143 211298664 /nfs/dbraw/zinc/29/86/64/211298664.db2.gz WJSPEGXZSYANEO-UHFFFAOYSA-N -1 0 371.390 2.452 50 0 FEAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000013382110 211032493 /nfs/dbraw/zinc/03/24/93/211032493.db2.gz NTMSYRJBWHIODD-SSZFMOIBSA-N -1 0 368.389 2.057 50 0 FEAARM COc1ccc(C(C)=O)cc1CNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000013240608 211028019 /nfs/dbraw/zinc/02/80/19/211028019.db2.gz GKXKMEJPXVLFNW-QGZVFWFLSA-N -1 0 370.405 2.393 50 0 FEAARM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000076935903 542331175 /nfs/dbraw/zinc/33/11/75/542331175.db2.gz ZPAONLXCPWKESL-LLVKDONJSA-N -1 0 356.835 2.232 50 0 FEAARM COc1cccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])c1 ZINC000002303567 210390317 /nfs/dbraw/zinc/39/03/17/210390317.db2.gz BYDAJDXIMRBBLG-UHFFFAOYSA-N -1 0 361.350 2.428 50 0 biogenic FEAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002148587 210382395 /nfs/dbraw/zinc/38/23/95/210382395.db2.gz XDZNWFCGULWVRH-HNNXBMFYSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM Cc1nccn1C[C@H]1CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000077408212 542379132 /nfs/dbraw/zinc/37/91/32/542379132.db2.gz ZJNBIWMIVQVUJA-MRXNPFEDSA-N -1 0 365.437 2.223 50 0 FEAARM Cn1c([O-])c(Cc2ccc(OCc3ccccc3)cc2)c(=O)n(C)c1=O ZINC000001067165 210311862 /nfs/dbraw/zinc/31/18/62/210311862.db2.gz UDXLTMNMBPDYLW-UHFFFAOYSA-N -1 0 352.390 2.475 50 0 FEAARM COCc1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000000986418 210298794 /nfs/dbraw/zinc/29/87/94/210298794.db2.gz RINPGKAFIRQSEJ-UHFFFAOYSA-N -1 0 364.246 2.248 50 0 FEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000021883877 220369844 /nfs/dbraw/zinc/36/98/44/220369844.db2.gz DWHFMIROFZOBOA-UHFFFAOYSA-N -1 0 374.216 2.150 50 0 FEAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577972 220391750 /nfs/dbraw/zinc/39/17/50/220391750.db2.gz IMLQXUXPJAGYAC-ZDUSSCGKSA-N -1 0 363.512 2.457 50 0 FEAARM COc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1Br ZINC000062118283 221139227 /nfs/dbraw/zinc/13/92/27/221139227.db2.gz BMKVBQXECJGFJI-NSHDSACASA-N -1 0 356.216 2.323 50 0 FEAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)c1 ZINC000065183621 221175349 /nfs/dbraw/zinc/17/53/49/221175349.db2.gz TVGGDNQMPGUNJN-UHFFFAOYSA-N -1 0 350.425 2.411 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2c1=O ZINC000065247026 221187100 /nfs/dbraw/zinc/18/71/00/221187100.db2.gz VOYKMZFGLPVECG-UHFFFAOYSA-N -1 0 360.439 2.242 50 0 FEAARM Cc1ccc(CN2CCN(Cc3ccc(O)c(C(=O)[O-])c3)CC2=O)cc1 ZINC000067676097 221269188 /nfs/dbraw/zinc/26/91/88/221269188.db2.gz IBPIMBSNUCTCCG-UHFFFAOYSA-N -1 0 354.406 2.243 50 0 FEAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC(N2CCCC2=O)CC1 ZINC000071751895 221363031 /nfs/dbraw/zinc/36/30/31/221363031.db2.gz VIPNRMPPUGFWPX-UHFFFAOYSA-N -1 0 357.385 2.307 50 0 FEAARM COC(=O)c1[n-]c(=NC(=O)C2(c3ccccc3)CCOCC2)sc1C ZINC000079494090 542522251 /nfs/dbraw/zinc/52/22/51/542522251.db2.gz UFAXRSOMLWHJOP-UHFFFAOYSA-N -1 0 360.435 2.925 50 0 FEAARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000084507113 542716404 /nfs/dbraw/zinc/71/64/04/542716404.db2.gz JZQDSIDDILNVDS-UHFFFAOYSA-N -1 0 353.318 2.071 50 0 FEAARM O=C([O-])[C@H](NC(=O)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000238032786 132249067 /nfs/dbraw/zinc/24/90/67/132249067.db2.gz QIPYDNOFRVFQPV-QGZVFWFLSA-N -1 0 358.369 2.218 50 0 FEAARM Cc1cc(C)nc(N2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)n1 ZINC000223870415 132280541 /nfs/dbraw/zinc/28/05/41/132280541.db2.gz VYONQJJUBNTHQX-INIZCTEOSA-N -1 0 370.453 2.268 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]2C(=O)[O-])c1OC ZINC000091468494 542809533 /nfs/dbraw/zinc/80/95/33/542809533.db2.gz UAOLASYTAMONBH-JKSUJKDBSA-N -1 0 371.389 2.350 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C(=O)[O-])c1OC ZINC000091551350 542812828 /nfs/dbraw/zinc/81/28/28/542812828.db2.gz IQVAOLKHGTVTNX-LSDHHAIUSA-N -1 0 356.378 2.039 50 0 FEAARM Cc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)no1 ZINC000091646166 542817876 /nfs/dbraw/zinc/81/78/76/542817876.db2.gz DFSIRAXMMGBVHE-MRXNPFEDSA-N -1 0 368.393 2.407 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2C)C[C@H]1C(=O)[O-] ZINC000092038405 542840447 /nfs/dbraw/zinc/84/04/47/542840447.db2.gz ZUYOEXUNHNTNAM-DLBZAZTESA-N -1 0 368.437 2.100 50 0 FEAARM NC(=O)c1cccc(C[C@H]2CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)c1 ZINC000092062006 542841999 /nfs/dbraw/zinc/84/19/99/542841999.db2.gz SXGPJLXLAWVRMK-CQSZACIVSA-N -1 0 365.433 2.436 50 0 FEAARM Cc1nccc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)[O-])CC2)n1 ZINC000072427201 136146668 /nfs/dbraw/zinc/14/66/68/136146668.db2.gz YQYYYAKZXAWXHI-UHFFFAOYSA-N -1 0 357.366 2.016 50 0 FEAARM CN1Cc2ccccc2C[C@@H]1C(=O)N1CC(Oc2ccc(C(=O)[O-])cc2)C1 ZINC000095375090 542963859 /nfs/dbraw/zinc/96/38/59/542963859.db2.gz AXYSGXAYBMYXNH-LJQANCHMSA-N -1 0 366.417 2.031 50 0 FEAARM Cc1c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cccc1C(=O)[O-] ZINC000095349606 542957676 /nfs/dbraw/zinc/95/76/76/542957676.db2.gz FHYLPCHZXWDAFW-UHFFFAOYSA-N -1 0 374.418 2.485 50 0 FEAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)c3scnc3C)C[C@H]21 ZINC000095385566 542966480 /nfs/dbraw/zinc/96/64/80/542966480.db2.gz FMNRCZSCXVZXNY-FZKQIMNGSA-N -1 0 374.418 2.163 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000095526926 542980979 /nfs/dbraw/zinc/98/09/79/542980979.db2.gz OODYUBCCVPUVGW-UHFFFAOYSA-N -1 0 358.438 2.430 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1csc(-c2cccs2)n1 ZINC000095528701 542982072 /nfs/dbraw/zinc/98/20/72/542982072.db2.gz ZZRDFVWLJZJFQN-LLVKDONJSA-N -1 0 360.420 2.246 50 0 FEAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccco2)cc1 ZINC000101801946 543046044 /nfs/dbraw/zinc/04/60/44/543046044.db2.gz MTLNHBUJYAUSQB-UHFFFAOYSA-N -1 0 363.377 2.474 50 0 FEAARM COc1c(F)ccc(F)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000121371096 543693611 /nfs/dbraw/zinc/69/36/11/543693611.db2.gz HVEYFUXVOFHYJH-UHFFFAOYSA-N -1 0 362.741 2.141 50 0 FEAARM CN1CC[C@@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O ZINC000124410714 543819359 /nfs/dbraw/zinc/81/93/59/543819359.db2.gz PYYPABWMARGRTR-QZTJIDSGSA-N -1 0 368.433 2.068 50 0 FEAARM CCc1ncc2c(n1)CN(C(=O)c1nn(-c3ccccc3F)cc1[O-])CC2 ZINC000129292470 544104111 /nfs/dbraw/zinc/10/41/11/544104111.db2.gz MCDDTANIONHADL-UHFFFAOYSA-N -1 0 367.384 2.268 50 0 FEAARM O=C(NC[C@@H]1CCOC1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000084501818 221722475 /nfs/dbraw/zinc/72/24/75/221722475.db2.gz XLPAVXGWDHLNEQ-JTQLQIEISA-N -1 0 355.316 2.363 50 0 FEAARM O=C([O-])[C@H](CO)n1cnc(-c2ccccc2)c1-c1cccc(OCCO)c1 ZINC000092107518 221838863 /nfs/dbraw/zinc/83/88/63/221838863.db2.gz IFSORYIJHJMIKY-KRWDZBQOSA-N -1 0 368.389 2.206 50 0 FEAARM CCCN1CCn2cc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2C1=O ZINC000096102053 222023811 /nfs/dbraw/zinc/02/38/11/222023811.db2.gz RZNIJAYPFQVQOV-UHFFFAOYSA-N -1 0 363.439 2.163 50 0 FEAARM CCCc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n(C)n1 ZINC000096136544 222041172 /nfs/dbraw/zinc/04/11/72/222041172.db2.gz VLLKGLVLGPYHDR-FOIQADDNSA-N -1 0 369.421 2.076 50 0 FEAARM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)OCCO)cc1 ZINC000096338001 222116542 /nfs/dbraw/zinc/11/65/42/222116542.db2.gz CIMFNPYBHGBPAW-INIZCTEOSA-N -1 0 371.405 2.302 50 0 FEAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4cnccn4)c(=O)n1c23 ZINC000100663062 222249553 /nfs/dbraw/zinc/24/95/53/222249553.db2.gz WIXVLABZGSTBTL-SECBINFHSA-N -1 0 354.341 2.396 50 0 FEAARM C[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102043467 222288542 /nfs/dbraw/zinc/28/85/42/222288542.db2.gz VCQPJDVXBKOSTO-DGCLKSJQSA-N -1 0 361.467 2.300 50 0 FEAARM COc1ccccc1CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102166394 222290479 /nfs/dbraw/zinc/29/04/79/222290479.db2.gz DXKKDSQXLVQSAV-UHFFFAOYSA-N -1 0 369.446 2.203 50 0 FEAARM Cc1cc2ncc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(=O)n2[n-]1 ZINC000102739865 222306376 /nfs/dbraw/zinc/30/63/76/222306376.db2.gz BKKULPLHLALUFD-UHFFFAOYSA-N -1 0 363.377 2.258 50 0 FEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C2=Cc3cc(F)ccc3OC2)s1 ZINC000156933183 222554482 /nfs/dbraw/zinc/55/44/82/222554482.db2.gz FHKUFULBTLUXNW-UHFFFAOYSA-N -1 0 368.411 2.180 50 0 FEAARM CC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[C@H]1CCCO1 ZINC000152488364 544660895 /nfs/dbraw/zinc/66/08/95/544660895.db2.gz TVZBABFUGJKDSW-UKRRQHHQSA-N -1 0 361.467 2.149 50 0 FEAARM Cc1ncsc1CCC(=O)N1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426436788 263591133 /nfs/dbraw/zinc/59/11/33/263591133.db2.gz VEEFFSLIQOUEFG-CYBMUJFWSA-N -1 0 362.455 2.071 50 0 FEAARM Cc1cnn(CC2CCN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)CC2)c1 ZINC000426555708 263634370 /nfs/dbraw/zinc/63/43/70/263634370.db2.gz YRNKKIICKOLPCQ-UHFFFAOYSA-N -1 0 365.437 2.223 50 0 FEAARM CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000191395509 328263586 /nfs/dbraw/zinc/26/35/86/328263586.db2.gz PRQJFHHNSPBWAD-KRWDZBQOSA-N -1 0 362.451 2.009 50 0 FEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000236596690 328489724 /nfs/dbraw/zinc/48/97/24/328489724.db2.gz PZBLSZYKFRYMJS-UHFFFAOYSA-N -1 0 365.474 2.181 50 0 FEAARM Cc1cc(C)n(-c2ccc(C(=O)N(CC(=O)[O-])C3CCOCC3)cc2)n1 ZINC000237679365 328524881 /nfs/dbraw/zinc/52/48/81/328524881.db2.gz IASNLEIQPHSYMA-UHFFFAOYSA-N -1 0 357.410 2.195 50 0 FEAARM CCc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1S(C)(=O)=O ZINC000261991991 328833954 /nfs/dbraw/zinc/83/39/54/328833954.db2.gz CVSRPYRESYHGAN-UHFFFAOYSA-N -1 0 353.440 2.026 50 0 FEAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000262214520 328851754 /nfs/dbraw/zinc/85/17/54/328851754.db2.gz KJEKVDSSWIVWCP-UHFFFAOYSA-N -1 0 366.208 2.074 50 0 FEAARM COCCOc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000262367935 328861787 /nfs/dbraw/zinc/86/17/87/328861787.db2.gz FOXRFADITXBBMP-GOSISDBHSA-N -1 0 355.390 2.364 50 0 FEAARM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263291854 328930875 /nfs/dbraw/zinc/93/08/75/328930875.db2.gz YVVWMGMIKBMPHU-SKDRFNHKSA-N -1 0 361.364 2.316 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OCC(=O)[O-] ZINC000268950040 520664646 /nfs/dbraw/zinc/66/46/46/520664646.db2.gz PEZLIHMGAJZSDH-VUCTXSBTSA-N -1 0 363.410 2.092 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1OCC(=O)[O-] ZINC000268950038 520665327 /nfs/dbraw/zinc/66/53/27/520665327.db2.gz PEZLIHMGAJZSDH-JLZZUVOBSA-N -1 0 363.410 2.092 50 0 FEAARM COCCC[C@H]1CCCCN1C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000077440855 523495351 /nfs/dbraw/zinc/49/53/51/523495351.db2.gz BTBLLDRVYMFDOE-OAHLLOKOSA-N -1 0 359.426 2.164 50 0 FEAARM C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)[O-])c1ccc(Br)cc1 ZINC000237595301 525105014 /nfs/dbraw/zinc/10/50/14/525105014.db2.gz MLJYLSPMOPFFAF-MFKMUULPSA-N -1 0 355.232 2.175 50 0 FEAARM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178279515 525534773 /nfs/dbraw/zinc/53/47/73/525534773.db2.gz RWQNZVXZDOHCQZ-DYVFJYSZSA-N -1 0 370.405 2.156 50 0 FEAARM Cc1cc(-n2cncn2)ccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262456412 526079006 /nfs/dbraw/zinc/07/90/06/526079006.db2.gz VFPGLHKTRJWAAF-XKQJLSEDSA-N -1 0 354.410 2.434 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000268946796 526293089 /nfs/dbraw/zinc/29/30/89/526293089.db2.gz PCPGZPIEIBJHDH-FXAINCCUSA-N -1 0 369.215 2.408 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000268966259 526332772 /nfs/dbraw/zinc/33/27/72/526332772.db2.gz CZGYZTOOXCULFA-GFCCVEGCSA-N -1 0 352.799 2.389 50 0 FEAARM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC[C@H](C(=O)[O-])C3)c12 ZINC000178260430 527682922 /nfs/dbraw/zinc/68/29/22/527682922.db2.gz HFFGSZIDNNKKJW-AWEZNQCLSA-N -1 0 364.405 2.490 50 0 FEAARM CCNc1ccnc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)n1 ZINC000072422245 535528251 /nfs/dbraw/zinc/52/82/51/535528251.db2.gz RBYSTVJQVGGFLG-UHFFFAOYSA-N -1 0 358.446 2.309 50 0 FEAARM CC(C)[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC000156291079 545615557 /nfs/dbraw/zinc/61/55/57/545615557.db2.gz NQMMADMAIYWDHY-MRXNPFEDSA-N -1 0 362.813 2.389 50 0 FEAARM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000170609206 546164792 /nfs/dbraw/zinc/16/47/92/546164792.db2.gz NPVYXVDISSQGAK-UHFFFAOYSA-N -1 0 355.441 2.120 50 0 FEAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ncnn32)cc1 ZINC000170625866 546167057 /nfs/dbraw/zinc/16/70/57/546167057.db2.gz ANDCCPWDFKAUQF-AWEZNQCLSA-N -1 0 352.350 2.368 50 0 FEAARM O=C([N-]S(=O)(=O)CC1CCOCC1)c1csc(-c2cccs2)n1 ZINC000170646097 546168934 /nfs/dbraw/zinc/16/89/34/546168934.db2.gz XTASDXNWKLAMKE-UHFFFAOYSA-N -1 0 372.493 2.358 50 0 FEAARM Cc1nn(C(C)C)c(C)c1CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000220482367 548701365 /nfs/dbraw/zinc/70/13/65/548701365.db2.gz XCFUARPBMRONIA-UHFFFAOYSA-N -1 0 353.426 2.490 50 0 FEAARM Cc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000223255612 548718483 /nfs/dbraw/zinc/71/84/83/548718483.db2.gz GRCMLKKSSCDEJU-IAGOWNOFSA-N -1 0 356.378 2.055 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000237974672 548868656 /nfs/dbraw/zinc/86/86/56/548868656.db2.gz COJAUXLQPRNXTN-CQDKDKBSSA-N -1 0 372.450 2.387 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000261933063 549771179 /nfs/dbraw/zinc/77/11/79/549771179.db2.gz ZCTWSXZHXMUJRG-LLVKDONJSA-N -1 0 365.432 2.128 50 0 FEAARM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262404877 549817232 /nfs/dbraw/zinc/81/72/32/549817232.db2.gz IBPQOUGTYYOJNQ-INIZCTEOSA-N -1 0 361.442 2.079 50 0 FEAARM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)n1 ZINC000262817617 549852703 /nfs/dbraw/zinc/85/27/03/549852703.db2.gz PSWSSXXUJVNKHJ-OAHLLOKOSA-N -1 0 367.405 2.205 50 0 FEAARM Cn1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc2cc(C(F)(F)F)ccc21 ZINC000268973023 550139347 /nfs/dbraw/zinc/13/93/47/550139347.db2.gz HXKCMTJKPWCEFA-CYBMUJFWSA-N -1 0 356.300 2.123 50 0 FEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000299354019 553552299 /nfs/dbraw/zinc/55/22/99/553552299.db2.gz LAWVTCYNKKEAJJ-CFVMTHIKSA-N -1 0 365.451 2.256 50 0 FEAARM C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(C(=O)[O-])c2)C1=O ZINC000299741311 553609861 /nfs/dbraw/zinc/60/98/61/553609861.db2.gz DQUDKDXEIMITNJ-CYBMUJFWSA-N -1 0 368.389 2.205 50 0 FEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000299747596 553610593 /nfs/dbraw/zinc/61/05/93/553610593.db2.gz DHISFOVDTHGLPF-SFGNSQDASA-N -1 0 370.199 2.118 50 0 FEAARM C[C@@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)N1CCc2sccc2C1 ZINC000333204205 554588718 /nfs/dbraw/zinc/58/87/18/554588718.db2.gz OGJXBCACIJTHJJ-LBPRGKRZSA-N -1 0 357.483 2.984 50 0 FEAARM Cc1c([C@H](C)NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1C ZINC000426544992 559737439 /nfs/dbraw/zinc/73/74/39/559737439.db2.gz HFSVIMOOKPDLGS-VIFPVBQESA-N -1 0 360.443 2.341 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)CCOc2ccc(Br)cc2F)C1 ZINC000583652281 570812550 /nfs/dbraw/zinc/81/25/50/570812550.db2.gz PDUYBPMLECSNBT-SECBINFHSA-N -1 0 360.179 2.290 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1OC ZINC000047383488 570886983 /nfs/dbraw/zinc/88/69/83/570886983.db2.gz VYCDGMXVDCOEJS-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)sc2c1 ZINC000046017412 570919732 /nfs/dbraw/zinc/91/97/32/570919732.db2.gz YHLDGUJVYJKNOI-UHFFFAOYSA-N -1 0 364.404 2.177 50 0 FEAARM COc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000112158553 570955067 /nfs/dbraw/zinc/95/50/67/570955067.db2.gz PACVTXMYWGKWLQ-QWHCGFSZSA-N -1 0 366.826 2.352 50 0 FEAARM CC(C)c1nc(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)cn1C ZINC000575622176 571173230 /nfs/dbraw/zinc/17/32/30/571173230.db2.gz XDXALDCOHCWIQL-ZDUSSCGKSA-N -1 0 371.528 2.440 50 0 FEAARM O=C([O-])c1cccnc1N1CCC[C@H](CNC(=O)Cc2cccs2)C1 ZINC000952989292 681795778 /nfs/dbraw/zinc/79/57/78/681795778.db2.gz VURVONKAUUCGLT-CYBMUJFWSA-N -1 0 359.451 2.417 50 0 FEAARM Cc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000002146312 210227279 /nfs/dbraw/zinc/22/72/79/210227279.db2.gz DRNIMTGBZBIVJQ-INIZCTEOSA-N -1 0 361.394 2.322 50 0 biogenic FEAARM O=C(Cc1cc(=O)oc2cc(O)ccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002109212 539345000 /nfs/dbraw/zinc/34/50/00/539345000.db2.gz NDCKGNPLTQBZIY-JLTOFOAXSA-N -1 0 357.406 2.195 50 0 biogenic FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000002408338 539348078 /nfs/dbraw/zinc/34/80/78/539348078.db2.gz WCQWMGACBQRSDI-IBGZPJMESA-N -1 0 367.449 2.210 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000002736848 539351668 /nfs/dbraw/zinc/35/16/68/539351668.db2.gz KZVSEMAUTVEAPQ-RMKNXTFCSA-N -1 0 350.421 2.225 50 0 FEAARM O=C([O-])[C@]1(O)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)Nc2ncnn21 ZINC000226979251 210177740 /nfs/dbraw/zinc/17/77/40/210177740.db2.gz LQJAZXXIDMGAJK-HDMKZQKVSA-N -1 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539408005 /nfs/dbraw/zinc/40/80/05/539408005.db2.gz CADQSKUVIKRVLH-UHFFFAOYSA-N -1 0 361.310 2.200 50 0 FEAARM O=S(=O)([N-]c1cccnc1)c1ccc(I)cc1 ZINC000006706911 539435159 /nfs/dbraw/zinc/43/51/59/539435159.db2.gz NILBBZZIPKHLHQ-UHFFFAOYSA-N -1 0 360.176 2.487 50 0 FEAARM Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2oc1=O ZINC000008764449 539491263 /nfs/dbraw/zinc/49/12/63/539491263.db2.gz BSLFBXWCUALIAR-CYBMUJFWSA-N -1 0 359.378 2.112 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nn2cc(-c3ccccc3)nc2N)cc1 ZINC000008719899 539490842 /nfs/dbraw/zinc/49/08/42/539490842.db2.gz CFHXUKBOBXYOCM-UHFFFAOYSA-N -1 0 371.422 2.083 50 0 FEAARM O=C([N-]n1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1cnccn1 ZINC000009749365 539508121 /nfs/dbraw/zinc/50/81/21/539508121.db2.gz ABUXLEUTWYCCFE-UHFFFAOYSA-N -1 0 367.365 2.438 50 0 FEAARM CCCc1nnc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)s1 ZINC000011615683 539531134 /nfs/dbraw/zinc/53/11/34/539531134.db2.gz JEZMMYJXIZNJHR-UHFFFAOYSA-N -1 0 370.456 2.258 50 0 FEAARM Cc1ccc(CCC(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cc1C ZINC000299785794 210028399 /nfs/dbraw/zinc/02/83/99/210028399.db2.gz NWOKGIJMTVJZDY-JKSUJKDBSA-N -1 0 356.426 2.071 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000012605316 539567823 /nfs/dbraw/zinc/56/78/23/539567823.db2.gz QWHMCWACQQUALZ-UHFFFAOYSA-N -1 0 363.391 2.369 50 0 FEAARM C[C@@H](SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012813863 539575474 /nfs/dbraw/zinc/57/54/74/539575474.db2.gz IGQUVCLTMUCYKD-DGCLKSJQSA-N -1 0 351.424 2.328 50 0 FEAARM COc1ccc(C(=O)[O-])c(O[C@@H](C)C(=O)NCc2ccccc2OC)c1 ZINC000013315767 539585940 /nfs/dbraw/zinc/58/59/40/539585940.db2.gz UKNDBJVGPYCJRO-LBPRGKRZSA-N -1 0 359.378 2.486 50 0 FEAARM O=C([N-]OCc1ccccc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000025286964 539753667 /nfs/dbraw/zinc/75/36/67/539753667.db2.gz CRURZDPZHKYCQS-IAGOWNOFSA-N -1 0 374.437 2.216 50 0 FEAARM O=C1N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000000915108 219340368 /nfs/dbraw/zinc/34/03/68/219340368.db2.gz SMLKJICDHLUSRA-MISXGVKJSA-N -1 0 371.340 2.247 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCCC3)c2c1 ZINC000031819997 539921261 /nfs/dbraw/zinc/92/12/61/539921261.db2.gz FFOCXHQSWNAGKM-KRWDZBQOSA-N -1 0 359.382 2.193 50 0 FEAARM CN(Cc1noc(-c2ccccc2)n1)C(=O)c1[n-]c(=O)nc2ccccc21 ZINC000032553309 539943568 /nfs/dbraw/zinc/94/35/68/539943568.db2.gz KPNYRNNDCGVGSX-UHFFFAOYSA-N -1 0 361.361 2.245 50 0 FEAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1 ZINC000032833832 539955107 /nfs/dbraw/zinc/95/51/07/539955107.db2.gz HMUQHBNMJAITBT-UHFFFAOYSA-N -1 0 366.395 2.442 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(OC)c4)c=3c2=O)cc1 ZINC000033274046 539973121 /nfs/dbraw/zinc/97/31/21/539973121.db2.gz BALCFQTUNZJSSZ-JKSUJKDBSA-N -1 0 352.350 2.202 50 0 FEAARM O=C([O-])CN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CCOCC1 ZINC000238114380 222914776 /nfs/dbraw/zinc/91/47/76/222914776.db2.gz OFMOPVJDUUUHBM-UHFFFAOYSA-N -1 0 363.801 2.232 50 0 FEAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000041605927 540026643 /nfs/dbraw/zinc/02/66/43/540026643.db2.gz FPBNKDXUYKWAFU-SECBINFHSA-N -1 0 374.344 2.399 50 0 FEAARM O=C(/C=C/c1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268660 540056489 /nfs/dbraw/zinc/05/64/89/540056489.db2.gz UYKXAMMOCOBNQL-VMPITWQZSA-N -1 0 363.366 2.115 50 0 FEAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1sccc1Br ZINC000042524330 540064992 /nfs/dbraw/zinc/06/49/92/540064992.db2.gz HQTUMLJHRGQOBY-ZETCQYMHSA-N -1 0 356.263 2.384 50 0 FEAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)OCC(Cl)(Cl)Cl ZINC000043763531 540108681 /nfs/dbraw/zinc/10/86/81/540108681.db2.gz VUCIGXUTJYAIAV-VIFPVBQESA-N -1 0 356.589 2.484 50 0 FEAARM CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1Cl ZINC000058172356 540831221 /nfs/dbraw/zinc/83/12/21/540831221.db2.gz NVJCUPYXBXOJTQ-UHFFFAOYSA-N -1 0 356.835 2.250 50 0 FEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cc(OC)cc(OC)c1 ZINC000064774943 541217351 /nfs/dbraw/zinc/21/73/51/541217351.db2.gz JFSUIBAHRGPYRE-UHFFFAOYSA-N -1 0 360.410 2.391 50 0 FEAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccccc1OC(F)(F)C(F)F ZINC000072406963 541805491 /nfs/dbraw/zinc/80/54/91/541805491.db2.gz JKKPPMXBLLTZGG-SECBINFHSA-N -1 0 365.279 2.239 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1ccc(F)cc1)CCN(C(=O)C1CC1)CC2 ZINC000072428635 541812138 /nfs/dbraw/zinc/81/21/38/541812138.db2.gz ILIRVLMXMRVHBF-MRXNPFEDSA-N -1 0 374.412 2.144 50 0 FEAARM O=C([N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F ZINC000013036704 220055097 /nfs/dbraw/zinc/05/50/97/220055097.db2.gz LHIJMXXOWRDGPC-UHFFFAOYSA-N -1 0 367.315 2.244 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)o1 ZINC000299742111 211822430 /nfs/dbraw/zinc/82/24/30/211822430.db2.gz GYNWIPWATAYYOY-UHFFFAOYSA-N -1 0 370.317 2.334 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000299745653 211826616 /nfs/dbraw/zinc/82/66/16/211826616.db2.gz RQLJDTYZCNIRHU-DLBZAZTESA-N -1 0 368.364 2.423 50 0 FEAARM CN1C(=O)C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000299746578 211826698 /nfs/dbraw/zinc/82/66/98/211826698.db2.gz YFCNYZOIOBUHFR-RJVJFLMVSA-N -1 0 350.440 2.027 50 0 FEAARM CCc1ccccc1N1C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000299746521 211826732 /nfs/dbraw/zinc/82/67/32/211826732.db2.gz XZEJMYJCYQISKF-HWOWSKLDSA-N -1 0 358.438 2.362 50 0 FEAARM CC(=O)N[C@@H](CSc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000036390452 211666418 /nfs/dbraw/zinc/66/64/18/211666418.db2.gz BKVMOQLMGNSVEF-JTQLQIEISA-N -1 0 359.329 2.330 50 0 FEAARM NC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2 ZINC000017074565 211177630 /nfs/dbraw/zinc/17/76/30/211177630.db2.gz UFDQHTGLSXPHPI-CZPQBJFPSA-N -1 0 362.451 2.411 50 0 FEAARM O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2)s1)c1ccco1 ZINC000015674463 211135353 /nfs/dbraw/zinc/13/53/53/211135353.db2.gz SWKDEKMLDHEQLU-UHFFFAOYSA-N -1 0 350.381 2.184 50 0 FEAARM COc1ccc(CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c(OC)c1 ZINC000014140067 211077321 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O=C([O-])c1ccccc1[C@H]1c2cc3c(cc2NC2=COC(=O)C21)OCO3 ZINC000008781861 539493135 /nfs/dbraw/zinc/49/31/35/539493135.db2.gz ITTIXUYQKAWCFF-INIZCTEOSA-N -1 0 351.314 2.482 50 0 FEAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1ccccc1 ZINC000009341339 539501213 /nfs/dbraw/zinc/50/12/13/539501213.db2.gz QUNPIWUWTCXBCU-UHFFFAOYSA-N -1 0 352.419 2.487 50 0 FEAARM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1-n1cnnn1 ZINC000009314425 539500393 /nfs/dbraw/zinc/50/03/93/539500393.db2.gz LAIBLYCRQBYHOW-UHFFFAOYSA-N -1 0 355.832 2.486 50 0 FEAARM CCC1C(=O)N=C(SCC(=O)Nc2nc3ccccc3s2)N=C1[O-] ZINC000009907707 539510068 /nfs/dbraw/zinc/51/00/68/539510068.db2.gz RHJGLHHIVUTNLR-UHFFFAOYSA-N -1 0 362.436 2.378 50 0 FEAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000011615468 539530776 /nfs/dbraw/zinc/53/07/76/539530776.db2.gz QXFMUWMAWLHOAC-UHFFFAOYSA-N -1 0 361.423 2.077 50 0 FEAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000011865462 539537132 /nfs/dbraw/zinc/53/71/32/539537132.db2.gz 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ZINC000238198473 222914821 /nfs/dbraw/zinc/91/48/21/222914821.db2.gz AWQLXKWYWVHJPO-LLVKDONJSA-N -1 0 367.199 2.246 50 0 FEAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237746097 222910230 /nfs/dbraw/zinc/91/02/30/222910230.db2.gz QTMHITZUFUNVHD-IBGZPJMESA-N -1 0 359.401 2.494 50 0 FEAARM CCc1ccccc1OC1CN(CCC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000243893564 222923915 /nfs/dbraw/zinc/92/39/15/222923915.db2.gz ASEKNHFSVOMNFY-UHFFFAOYSA-N -1 0 360.454 2.025 50 0 FEAARM CC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000042258509 540056456 /nfs/dbraw/zinc/05/64/56/540056456.db2.gz NAPFVPHJKDJEGL-UHFFFAOYSA-N -1 0 373.839 2.488 50 0 FEAARM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000042267936 540056830 /nfs/dbraw/zinc/05/68/30/540056830.db2.gz SWJVFQDYVOBZLH-UHFFFAOYSA-N -1 0 361.419 2.204 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cn1 ZINC000055579969 540660457 /nfs/dbraw/zinc/66/04/57/540660457.db2.gz HEDQMGHAGKEINJ-UHFFFAOYSA-N -1 0 372.454 2.206 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 ZINC000058014341 540827397 /nfs/dbraw/zinc/82/73/97/540827397.db2.gz ZOTRHWZVIXWDHM-OLZOCXBDSA-N -1 0 371.455 2.099 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)cc1 ZINC000058182983 540832233 /nfs/dbraw/zinc/83/22/33/540832233.db2.gz FWPALQMVNFUMTP-UHFFFAOYSA-N -1 0 354.453 2.236 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)CCOc1ccccc1)C2 ZINC000072425250 541811236 /nfs/dbraw/zinc/81/12/36/541811236.db2.gz JQNIRIWURXLMJQ-UHFFFAOYSA-N -1 0 357.410 2.102 50 0 FEAARM CSCCC(=O)N1CCC(C(=O)[O-])(n2ccc(-c3ccco3)n2)CC1 ZINC000072422278 541808926 /nfs/dbraw/zinc/80/89/26/541808926.db2.gz MFXXXKVFGMQIAE-UHFFFAOYSA-N -1 0 363.439 2.299 50 0 FEAARM CC[C@H]1c2cccn2CCN1C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000072428173 541811828 /nfs/dbraw/zinc/81/18/28/541811828.db2.gz KLLQMDLPDNYJCQ-HNNXBMFYSA-N -1 0 352.394 2.151 50 0 FEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)Cc2ccncc2)CC1 ZINC000072478820 541820213 /nfs/dbraw/zinc/82/02/13/541820213.db2.gz GGOHYPKJAAKTEX-UHFFFAOYSA-N -1 0 358.369 2.288 50 0 FEAARM Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000013196823 220061123 /nfs/dbraw/zinc/06/11/23/220061123.db2.gz AKIZAXRXQAAJMM-UHFFFAOYSA-N -1 0 362.245 2.243 50 0 FEAARM CN1C(=O)C[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000299748719 211828267 /nfs/dbraw/zinc/82/82/67/211828267.db2.gz HYRUSRKILCBHAR-BBRMVZONSA-N -1 0 358.419 2.282 50 0 FEAARM Cc1oc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299750047 211831293 /nfs/dbraw/zinc/83/12/93/211831293.db2.gz MNKMGFUGAVLYSZ-KRWDZBQOSA-N -1 0 370.405 2.402 50 0 FEAARM NC(=O)c1ccccc1OCc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000299741307 211822474 /nfs/dbraw/zinc/82/24/74/211822474.db2.gz DPGYVRCGOIBAHO-UHFFFAOYSA-N -1 0 368.389 2.054 50 0 FEAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000299742939 211821615 /nfs/dbraw/zinc/82/16/15/211821615.db2.gz JOHCZHKZGALNHZ-OFLPRAFFSA-N -1 0 358.438 2.246 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COc1c(C)cc(C)cc1C ZINC000042290363 211777541 /nfs/dbraw/zinc/77/75/41/211777541.db2.gz NGGMVVUDAKFVJJ-UHFFFAOYSA-N -1 0 352.412 2.101 50 0 FEAARM C[C@]1(c2ccco2)NC(=O)N([N-]C(=O)c2ccc(Cl)cc2F)C1=O ZINC000022194729 211340505 /nfs/dbraw/zinc/34/05/05/211340505.db2.gz OGUQHXQIYPBAJM-OAHLLOKOSA-N -1 0 351.721 2.184 50 0 FEAARM COc1ccc(CCNc2nc(=O)c(Cc3ccccc3)n[n-]2)cc1OC ZINC000016806914 211170391 /nfs/dbraw/zinc/17/03/91/211170391.db2.gz TZCPULMICPYXOV-UHFFFAOYSA-N -1 0 366.421 2.428 50 0 FEAARM CS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388659 211032004 /nfs/dbraw/zinc/03/20/04/211032004.db2.gz UJRZSQNGOVNVMB-GFCCVEGCSA-N -1 0 353.421 2.097 50 0 FEAARM O=C1N[C@H](c2ccncc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004371880 210526958 /nfs/dbraw/zinc/52/69/58/210526958.db2.gz HHCFNYSZKIHTSQ-JTNHKYCSSA-N -1 0 371.340 2.247 50 0 FEAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000004351242 210526593 /nfs/dbraw/zinc/52/65/93/210526593.db2.gz QQXZFGVYDBCLSS-IQGJIOQQSA-N -1 0 352.390 2.355 50 0 biogenic FEAARM CCn1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)NCC(C)C)n1 ZINC000002805177 210424797 /nfs/dbraw/zinc/42/47/97/210424797.db2.gz RBHGTKGWPSDPQL-UHFFFAOYSA-N -1 0 368.434 2.229 50 0 FEAARM CC(C)(C)OC(=O)NC[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000002510801 210403303 /nfs/dbraw/zinc/40/33/03/210403303.db2.gz KUMMZCONPFBQTC-ZDUSSCGKSA-N -1 0 352.387 2.281 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000002391693 210395013 /nfs/dbraw/zinc/39/50/13/210395013.db2.gz SREPAMKILVVDSP-AWEZNQCLSA-N -1 0 364.398 2.329 50 0 FEAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCCC(=O)[O-])c(C)c2oc1=O ZINC000002155004 210381992 /nfs/dbraw/zinc/38/19/92/210381992.db2.gz HDHZUYKCECICBX-ZDUSSCGKSA-N -1 0 361.394 2.467 50 0 biogenic FEAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002091769 210379371 /nfs/dbraw/zinc/37/93/71/210379371.db2.gz NYJXDEFJAKVHJE-NHYWBVRUSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)N1CCCCC1 ZINC000009761946 210347249 /nfs/dbraw/zinc/34/72/49/210347249.db2.gz OKSZUYSCRIBILH-UHFFFAOYSA-N -1 0 357.432 2.042 50 0 FEAARM COc1ccc(-c2nnnn2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000001144546 210324192 /nfs/dbraw/zinc/32/41/92/210324192.db2.gz VSEPLFMSXIMCLO-UHFFFAOYSA-N -1 0 373.438 2.303 50 0 FEAARM CCOc1ccc(-c2ccnc(NCCc3ncnn3C)n2)cc1C(=O)[O-] ZINC000077437120 542381900 /nfs/dbraw/zinc/38/19/00/542381900.db2.gz UVJFDYMYDBANSA-UHFFFAOYSA-N -1 0 368.397 2.024 50 0 FEAARM COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC ZINC000000947079 210293411 /nfs/dbraw/zinc/29/34/11/210293411.db2.gz MUZUXRFKLNSQTA-AWEZNQCLSA-N -1 0 359.378 2.138 50 0 biogenic,in-vitro FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000860681 210281923 /nfs/dbraw/zinc/28/19/23/210281923.db2.gz PHNFFCKLNXPRDM-UHFFFAOYSA-N -1 0 352.799 2.417 50 0 FEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000077986547 542435934 /nfs/dbraw/zinc/43/59/34/542435934.db2.gz QTUWYKLIIZZJDZ-LLVKDONJSA-N -1 0 352.437 2.282 50 0 FEAARM COc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000062118284 221139098 /nfs/dbraw/zinc/13/90/98/221139098.db2.gz BMKVBQXECJGFJI-LLVKDONJSA-N -1 0 356.216 2.323 50 0 FEAARM COc1ccccc1C(=O)Nc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065399096 221212086 /nfs/dbraw/zinc/21/20/86/221212086.db2.gz LMVPNYZZVZHGMU-GFCCVEGCSA-N -1 0 354.362 2.385 50 0 FEAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCC(=O)N(C)C3)n2)c1 ZINC000079054370 542496448 /nfs/dbraw/zinc/49/64/48/542496448.db2.gz IYEHCFZPXGRWCS-AWEZNQCLSA-N -1 0 356.426 2.052 50 0 FEAARM COc1ccccc1CC(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067819932 221289844 /nfs/dbraw/zinc/28/98/44/221289844.db2.gz YWMYDHWIKYVHSG-UHFFFAOYSA-N -1 0 369.421 2.127 50 0 FEAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1c[nH]c(-c3ccccc3)n1)C2 ZINC000067935338 221306784 /nfs/dbraw/zinc/30/67/84/221306784.db2.gz OSUJUPKXBXSMLB-UHFFFAOYSA-N -1 0 365.393 2.190 50 0 FEAARM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1nc(C3CC3)no1)C2 ZINC000067955124 221307471 /nfs/dbraw/zinc/30/74/71/221307471.db2.gz BELBMICLGDGBAL-LBPRGKRZSA-N -1 0 359.430 2.241 50 0 FEAARM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069343119 221323553 /nfs/dbraw/zinc/32/35/53/221323553.db2.gz XLCNNVPOLQZRTC-NXEZZACHSA-N -1 0 367.876 2.181 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000071288706 221340389 /nfs/dbraw/zinc/34/03/89/221340389.db2.gz WVBIFHBIKSGPDB-UHFFFAOYSA-N -1 0 363.333 2.074 50 0 FEAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)cc(S(=O)(=O)NC2CC2)c1 ZINC000071765135 221371048 /nfs/dbraw/zinc/37/10/48/221371048.db2.gz NTEDLCVYPURMOY-UHFFFAOYSA-N -1 0 361.375 2.221 50 0 FEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1N1CCCC1=O ZINC000071798133 221376306 /nfs/dbraw/zinc/37/63/06/221376306.db2.gz FZQLMLSZQZVWKG-ZIAGYGMSSA-N -1 0 358.394 2.428 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)C[C@@H]1CCc3ccccc31)C2 ZINC000072425572 221514172 /nfs/dbraw/zinc/51/41/72/221514172.db2.gz LUNXZKHWYOZGLY-HNNXBMFYSA-N -1 0 353.422 2.363 50 0 FEAARM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)CC[C@@]1(O)C1CCOCC1 ZINC000091915189 132204894 /nfs/dbraw/zinc/20/48/94/132204894.db2.gz VRWUWDIIHCHVAW-DIFFPNOSSA-N -1 0 354.834 2.437 50 0 FEAARM Cc1cc(C)nc(N=C2NC(=O)C[C@@H](C(=O)[O-])N2c2ccc(C)c(C)c2)n1 ZINC000000801846 132378497 /nfs/dbraw/zinc/37/84/97/132378497.db2.gz NBVXJMFETHPWHP-HNNXBMFYSA-N -1 0 367.409 2.368 50 0 FEAARM COc1cccc(N2C(=O)/C(=C/c3cc(C)[nH]c3C)C(=O)[N-]C2=S)c1 ZINC000001151998 132380520 /nfs/dbraw/zinc/38/05/20/132380520.db2.gz MHVONWJHALABGZ-OVCLIPMQSA-N -1 0 355.419 2.471 50 0 FEAARM O=C([O-])c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000004384511 132823445 /nfs/dbraw/zinc/82/34/45/132823445.db2.gz LKMGTRNAOHOJSO-UHFFFAOYSA-N -1 0 360.753 2.402 50 0 FEAARM COc1cccc(N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)c1 ZINC000006714087 132833910 /nfs/dbraw/zinc/83/39/10/132833910.db2.gz MGQWSMJSGIBNMU-BURPLHJFSA-N -1 0 372.465 2.481 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@H]1c1cccc(F)c1 ZINC000091793792 542826230 /nfs/dbraw/zinc/82/62/30/542826230.db2.gz GRCIWZNZTQJUCT-LSDHHAIUSA-N -1 0 373.409 2.404 50 0 FEAARM CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000091872855 542830011 /nfs/dbraw/zinc/83/00/11/542830011.db2.gz OQMPTOBLEZVURE-CQSZACIVSA-N -1 0 363.439 2.170 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2cccc(N3CCCNC3=O)c2)cc1 ZINC000299752748 136122248 /nfs/dbraw/zinc/12/22/48/136122248.db2.gz VHLUHHZLBPPGTJ-UHFFFAOYSA-N -1 0 353.378 2.235 50 0 FEAARM Cc1cc(N2CCCCC2)nc2sc3c(ncn(CC(=O)[O-])c3=O)c21 ZINC000071283929 136138735 /nfs/dbraw/zinc/13/87/35/136138735.db2.gz OBCSZCRWHQFQAF-UHFFFAOYSA-N -1 0 358.423 2.390 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(c1cc(C3CC3)ncn1)CC2 ZINC000072163241 136143361 /nfs/dbraw/zinc/14/33/61/136143361.db2.gz BFOBQUYFAGTQFX-MRXNPFEDSA-N -1 0 370.453 2.036 50 0 FEAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)cc1 ZINC000095383170 542965652 /nfs/dbraw/zinc/96/56/52/542965652.db2.gz QKKNTNSXZGPONB-SFHVURJKSA-N -1 0 360.454 2.203 50 0 FEAARM O=C([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1 ZINC000095378229 542964695 /nfs/dbraw/zinc/96/46/95/542964695.db2.gz IQOLFJOJWQETHZ-MRXNPFEDSA-N -1 0 352.456 2.295 50 0 FEAARM CC(C)(C)c1noc(CCC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)n1 ZINC000095424513 542969409 /nfs/dbraw/zinc/96/94/09/542969409.db2.gz XBBBCYAJXGMLLJ-UHFFFAOYSA-N -1 0 357.410 2.038 50 0 FEAARM COCCn1cc(S(=O)(=O)[N-]c2cccnc2Nc2ccccc2)cn1 ZINC000095444328 542970375 /nfs/dbraw/zinc/97/03/75/542970375.db2.gz CPXLXGMMCJPLCZ-UHFFFAOYSA-N -1 0 373.438 2.469 50 0 FEAARM COc1cccc(OC)c1CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000095464024 542972057 /nfs/dbraw/zinc/97/20/57/542972057.db2.gz XDUWTXYDPHCPPJ-KRWDZBQOSA-N -1 0 365.332 2.467 50 0 FEAARM COc1ccc(-c2n[nH]cc2[C@@H](CC(=O)[O-])c2c(O)cc(C)[nH]c2=O)cc1 ZINC000095472746 542972360 /nfs/dbraw/zinc/97/23/60/542972360.db2.gz IFDJPUWBXCDWBF-CYBMUJFWSA-N -1 0 369.377 2.394 50 0 FEAARM Cc1nc(CCNC(=O)[C@@H](C)N2CCc3ccccc3C2)sc1C(=O)[O-] ZINC000095497157 542973474 /nfs/dbraw/zinc/97/34/74/542973474.db2.gz GLSJGNDHUJWDIX-CYBMUJFWSA-N -1 0 373.478 2.255 50 0 FEAARM Cn1cn[n-]/c1=N\C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000095943474 542983793 /nfs/dbraw/zinc/98/37/93/542983793.db2.gz ZYHKFJQIDCQALC-UHFFFAOYSA-N -1 0 350.469 2.701 50 0 FEAARM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000095995686 542985453 /nfs/dbraw/zinc/98/54/53/542985453.db2.gz HVOJZVZCOYDVLF-UHFFFAOYSA-N -1 0 374.871 2.357 50 0 FEAARM CCOC(=O)c1c([N-]c2nc(OC)cc(OC)n2)nn2c1nc(C)cc2C ZINC000096582201 542999209 /nfs/dbraw/zinc/99/92/09/542999209.db2.gz QMXUFVIMXIJPKC-UHFFFAOYSA-N -1 0 372.385 2.074 50 0 FEAARM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000124608682 543832419 /nfs/dbraw/zinc/83/24/19/543832419.db2.gz YWXKKJOETGKHPL-JSGCOSHPSA-N -1 0 356.378 2.204 50 0 FEAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000124608869 543832704 /nfs/dbraw/zinc/83/27/04/543832704.db2.gz YWXKKJOETGKHPL-OCCSQVGLSA-N -1 0 356.378 2.204 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1ccc(F)cc1 ZINC000091452320 221760905 /nfs/dbraw/zinc/76/09/05/221760905.db2.gz WETAZABGYFLZIE-LSDHHAIUSA-N -1 0 357.337 2.495 50 0 FEAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1)C1CCCCCC1 ZINC000095523839 221949750 /nfs/dbraw/zinc/94/97/50/221949750.db2.gz JRLYPEWAOWSIOL-MRXNPFEDSA-N -1 0 373.453 2.066 50 0 FEAARM Cc1ccc(OCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000102175652 222291479 /nfs/dbraw/zinc/29/14/79/222291479.db2.gz WAWPNKYSNKVMCL-UHFFFAOYSA-N -1 0 369.446 2.339 50 0 FEAARM Cn1c2ccccc2c([O-])c(Sc2nnnn2-c2ccccc2)c1=O ZINC000136631810 544375337 /nfs/dbraw/zinc/37/53/37/544375337.db2.gz HTGATBPSAXSXGL-UHFFFAOYSA-N -1 0 351.391 2.371 50 0 FEAARM Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC(=O)[O-] ZINC000153143004 544737756 /nfs/dbraw/zinc/73/77/56/544737756.db2.gz PIUCXUHNQOUMBO-UHFFFAOYSA-N -1 0 354.156 2.021 50 0 FEAARM O=C([O-])c1csc(CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)n1 ZINC000426478172 263599987 /nfs/dbraw/zinc/59/99/87/263599987.db2.gz UVLQFPUBQHIHNM-ZDUSSCGKSA-N -1 0 361.423 2.247 50 0 FEAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000171382960 327135874 /nfs/dbraw/zinc/13/58/74/327135874.db2.gz JYAPOZYUIXSGED-ZETCQYMHSA-N -1 0 357.737 2.454 50 0 FEAARM COc1cccc(OC)c1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262079400 328840717 /nfs/dbraw/zinc/84/07/17/328840717.db2.gz DZGMXFZVLOZMBA-IBGZPJMESA-N -1 0 355.390 2.457 50 0 FEAARM CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1cccc(Cl)c1 ZINC000237056403 523703959 /nfs/dbraw/zinc/70/39/59/523703959.db2.gz QWRXLOOUDCJSCP-INWMFGNUSA-N -1 0 364.829 2.183 50 0 FEAARM COc1ccccc1[C@@H]1CN(C(=O)CCc2[nH]nc(C)c2C)C[C@H]1C(=O)[O-] ZINC000091691472 524758593 /nfs/dbraw/zinc/75/85/93/524758593.db2.gz OBTWHJJYJCVXFP-JKSUJKDBSA-N -1 0 371.437 2.295 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000269186595 526278921 /nfs/dbraw/zinc/27/89/21/526278921.db2.gz MPKBSECEGCGEBC-CQSZACIVSA-N -1 0 373.430 2.207 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cn(Cc2cccs2)nn1 ZINC000268938563 526292068 /nfs/dbraw/zinc/29/20/68/526292068.db2.gz JMVSXXXAGGGBCD-DFBGVHRSSA-N -1 0 360.439 2.246 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000268966124 526332949 /nfs/dbraw/zinc/33/29/49/526332949.db2.gz CQQAPYMROFWIOU-GFCCVEGCSA-N -1 0 352.799 2.389 50 0 FEAARM O=S(=O)([N-]CC[C@@H](O)c1ccc2c(c1)OCO2)c1c(F)cccc1F ZINC000090612604 527219012 /nfs/dbraw/zinc/21/90/12/527219012.db2.gz CNIGWPMRVRWEMK-CYBMUJFWSA-N -1 0 371.361 2.096 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCO1 ZINC000269045030 527636230 /nfs/dbraw/zinc/63/62/30/527636230.db2.gz SCYUSFBQEIQOGS-ZDUSSCGKSA-N -1 0 367.829 2.090 50 0 FEAARM CC(C)c1cc(C(=O)N2CCN(c3ncccn3)C[C@@H]2C(=O)[O-])cs1 ZINC000071682054 535352981 /nfs/dbraw/zinc/35/29/81/535352981.db2.gz KLKFSMYPADPHRS-CYBMUJFWSA-N -1 0 360.439 2.077 50 0 FEAARM O=C(c1ccc(O)cc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000156037160 545594636 /nfs/dbraw/zinc/59/46/36/545594636.db2.gz VEXBVVCDKRXONZ-UHFFFAOYSA-N -1 0 356.426 2.391 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1COc2ccccc2O1 ZINC000170584771 546162256 /nfs/dbraw/zinc/16/22/56/546162256.db2.gz FCSAFZPSSUJWIM-MAUKXSAKSA-N -1 0 366.373 2.120 50 0 FEAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000170606972 546164951 /nfs/dbraw/zinc/16/49/51/546164951.db2.gz FBAZAZBRTTYHAN-UHFFFAOYSA-N -1 0 364.423 2.384 50 0 FEAARM COCc1c2ccccc2sc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649796 546168854 /nfs/dbraw/zinc/16/88/54/546168854.db2.gz BCGAQXMCBVLASG-UHFFFAOYSA-N -1 0 366.420 2.296 50 0 FEAARM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000178139724 546744530 /nfs/dbraw/zinc/74/45/30/546744530.db2.gz SBJSKLCSHPWMLR-UHFFFAOYSA-N -1 0 352.390 2.341 50 0 FEAARM CC(=O)N1CCc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])ccc21 ZINC000236627380 548770057 /nfs/dbraw/zinc/77/00/57/548770057.db2.gz AXUHMCHUVSWRNW-IBGZPJMESA-N -1 0 364.401 2.247 50 0 FEAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)n(-c2ccccc2)n1 ZINC000237981144 548868645 /nfs/dbraw/zinc/86/86/45/548868645.db2.gz ZWLZVPTZZQBALP-DOTOQJQBSA-N -1 0 355.394 2.354 50 0 FEAARM O=C([O-])CN(C(=O)c1cc(F)cc(Br)c1)C1CCOCC1 ZINC000238108166 548878654 /nfs/dbraw/zinc/87/86/54/548878654.db2.gz WZGDNBKCCZMCGJ-UHFFFAOYSA-N -1 0 360.179 2.294 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000238219138 548881435 /nfs/dbraw/zinc/88/14/35/548881435.db2.gz MUXCLHCPKVKCIV-UHFFFAOYSA-N -1 0 352.390 2.437 50 0 FEAARM CCON=C(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000252474849 549666430 /nfs/dbraw/zinc/66/64/30/549666430.db2.gz NKNYAQQRDVUZGQ-HNNXBMFYSA-N -1 0 354.428 2.075 50 0 FEAARM CN(Cc1nnc(-c2cccnc2)o1)Cc1nc(=O)c2sccc2[n-]1 ZINC000253536765 549691464 /nfs/dbraw/zinc/69/14/64/549691464.db2.gz NSRILBUIBPPECJ-UHFFFAOYSA-N -1 0 354.395 2.474 50 0 FEAARM COc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000262614465 549832256 /nfs/dbraw/zinc/83/22/56/549832256.db2.gz BJEYSFHGVRVLGI-AWEZNQCLSA-N -1 0 359.382 2.144 50 0 FEAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC000263127609 549879685 /nfs/dbraw/zinc/87/96/85/549879685.db2.gz FTSPWMKJPZXHIF-LLVKDONJSA-N -1 0 352.456 2.347 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 ZINC000265526898 550011452 /nfs/dbraw/zinc/01/14/52/550011452.db2.gz ABMLHNOFMBJPGL-UHFFFAOYSA-N -1 0 368.389 2.207 50 0 FEAARM Cc1ccc(-n2[n-]c(C(=O)Nc3cn(C)nc3C(F)(F)F)cc2=O)cc1 ZINC000496465077 561494151 /nfs/dbraw/zinc/49/41/51/561494151.db2.gz KITWUZRAAJPVBV-UHFFFAOYSA-N -1 0 365.315 2.479 50 0 FEAARM COCCc1ccc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cc1 ZINC000282218328 551196751 /nfs/dbraw/zinc/19/67/51/551196751.db2.gz NQJUEAFQSLUREZ-UHFFFAOYSA-N -1 0 361.419 2.325 50 0 FEAARM O=C(NCCCc1nnc2n1CCCCC2)c1s[n-]c(=O)c1Cl ZINC000283168128 551322660 /nfs/dbraw/zinc/32/26/60/551322660.db2.gz UKOZCKBUDDEOGE-UHFFFAOYSA-N -1 0 355.851 2.183 50 0 FEAARM Cc1c(Br)cccc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299751148 553610569 /nfs/dbraw/zinc/61/05/69/553610569.db2.gz PSFNWMWEOCNFGM-UHFFFAOYSA-N -1 0 356.216 2.463 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc(-c2ncccn2)n1 ZINC000299753360 553610576 /nfs/dbraw/zinc/61/05/76/553610576.db2.gz XZFIVMMMJNSKFQ-UHTWSYAYSA-N -1 0 358.423 2.458 50 0 FEAARM O=C([O-])CCN(C(=O)c1cc2c(c(Cl)c1)OCO2)C1CCOCC1 ZINC000408513363 558685888 /nfs/dbraw/zinc/68/58/88/558685888.db2.gz XRAJSPILBLQOAC-UHFFFAOYSA-N -1 0 355.774 2.165 50 0 FEAARM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)C[C@H]1CCOC1 ZINC000455897102 560499590 /nfs/dbraw/zinc/49/95/90/560499590.db2.gz QSEWOZRFLZZHGT-GFCCVEGCSA-N -1 0 356.216 2.289 50 0 FEAARM CCCNC(=O)c1c([O-])c2cccnc2n(-c2ccc(OC)cc2)c1=O ZINC000101723342 570822469 /nfs/dbraw/zinc/82/24/69/570822469.db2.gz WQPCAKFWCMKDKP-UHFFFAOYSA-N -1 0 353.378 2.240 50 0 FEAARM CSc1ccc(NC(=O)N2CCc3c(nc4cc[n-]n4c3=O)C2)cc1 ZINC000102990176 570841738 /nfs/dbraw/zinc/84/17/38/570841738.db2.gz KBGCSDBBLVRYNG-UHFFFAOYSA-N -1 0 355.423 2.335 50 0 FEAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)C(C)C)cc1 ZINC000101802337 570860420 /nfs/dbraw/zinc/86/04/20/570860420.db2.gz UCQORRYDCJYEBD-UHFFFAOYSA-N -1 0 369.425 2.314 50 0 FEAARM COc1ccccc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119328200 571098948 /nfs/dbraw/zinc/09/89/48/571098948.db2.gz BYERONGKLSSWQB-KBPBESRZSA-N -1 0 366.826 2.352 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942343 571102390 /nfs/dbraw/zinc/10/23/90/571102390.db2.gz OSQWMSFUZTZFNB-XPKDYRNWSA-N -1 0 358.373 2.129 50 0 FEAARM C[C@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000118145560 571175547 /nfs/dbraw/zinc/17/55/47/571175547.db2.gz SLJMXELQAVNDMZ-BONVTDFDSA-N -1 0 366.826 2.246 50 0 FEAARM CC(C)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)c2ccccc2n1 ZINC000118960477 571177693 /nfs/dbraw/zinc/17/76/93/571177693.db2.gz SZEPPUMYKYSYHO-ZDUSSCGKSA-N -1 0 362.451 2.454 50 0 FEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000426406056 571221048 /nfs/dbraw/zinc/22/10/48/571221048.db2.gz IBZACHMNORJOAB-AWEZNQCLSA-N -1 0 366.421 2.398 50 0 FEAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cnn1C1CCOCC1 ZINC000683320186 939870986 /nfs/dbraw/zinc/87/09/86/939870986.db2.gz UGPRJDDQKOQIBO-MRXNPFEDSA-N -1 0 361.373 2.238 50 0 FEAARM O=C([O-])CCNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002272583 539346852 /nfs/dbraw/zinc/34/68/52/539346852.db2.gz PCVAZYNWMTXPRH-FOWTUZBSSA-N -1 0 356.353 2.188 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(C)c12 ZINC000002158921 539345893 /nfs/dbraw/zinc/34/58/93/539345893.db2.gz UDKKVSLUFPGWEI-UHFFFAOYSA-N -1 0 373.405 2.284 50 0 biogenic FEAARM Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)cn1 ZINC000002804220 539354097 /nfs/dbraw/zinc/35/40/97/539354097.db2.gz CWCAGOQFDBHYSI-UHFFFAOYSA-N -1 0 351.819 2.119 50 0 FEAARM O=C([O-])CCNC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000002999059 539359004 /nfs/dbraw/zinc/35/90/04/539359004.db2.gz NETIGGWXLDBVIB-OBMWWMMPSA-N -1 0 364.401 2.448 50 0 FEAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000003662212 539373145 /nfs/dbraw/zinc/37/31/45/539373145.db2.gz IAJIMBCLBQCDFF-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM O=C([O-])[C@]1(O)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)Nc2ncnn21 ZINC000226979263 210178169 /nfs/dbraw/zinc/17/81/69/210178169.db2.gz LQJAZXXIDMGAJK-IIDMSEBBSA-N -1 0 354.341 2.098 50 0 FEAARM C[C@H](Sc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C)C(=O)[O-] ZINC000003883120 539373639 /nfs/dbraw/zinc/37/36/39/539373639.db2.gz KEOSXTLXKTVZMO-LBPRGKRZSA-N -1 0 370.434 2.257 50 0 FEAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004081792 539376338 /nfs/dbraw/zinc/37/63/38/539376338.db2.gz NWWVCEJQYCCAIN-LIRRHRJNSA-N -1 0 355.394 2.313 50 0 biogenic FEAARM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc1OC ZINC000004419153 539384736 /nfs/dbraw/zinc/38/47/36/539384736.db2.gz GMATYRCICSIMOA-UHFFFAOYSA-N -1 0 351.380 2.227 50 0 FEAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000004511424 539387523 /nfs/dbraw/zinc/38/75/23/539387523.db2.gz FSEOKAFYNIKFJN-UHFFFAOYSA-N -1 0 360.753 2.402 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000004628805 539389549 /nfs/dbraw/zinc/38/95/49/539389549.db2.gz QVQRRHDQFDKVAK-VXGBXAGGSA-N -1 0 363.366 2.089 50 0 FEAARM Cc1csc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)n1 ZINC000004945387 539397685 /nfs/dbraw/zinc/39/76/85/539397685.db2.gz BAJPSYWIBVYNFB-UHFFFAOYSA-N -1 0 354.438 2.186 50 0 FEAARM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4cccnc4)cc3)nn12 ZINC000005141905 539403082 /nfs/dbraw/zinc/40/30/82/539403082.db2.gz LOFPLWQSBYLWHL-UHFFFAOYSA-N -1 0 366.406 2.296 50 0 FEAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2)c2nnn[n-]2)c1 ZINC000005483501 539411845 /nfs/dbraw/zinc/41/18/45/539411845.db2.gz ZDZVOCCMLCNVDX-HNNXBMFYSA-N -1 0 353.382 2.182 50 0 FEAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc3ccccc3n2)C1=O ZINC000006654541 539432594 /nfs/dbraw/zinc/43/25/94/539432594.db2.gz JDQWPYOZACIYAN-HXUWFJFHSA-N -1 0 360.373 2.347 50 0 FEAARM COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1 ZINC000006381246 539427325 /nfs/dbraw/zinc/42/73/25/539427325.db2.gz WWXXWPRILUCXAK-CYBMUJFWSA-N -1 0 371.372 2.321 50 0 FEAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007327541 539455134 /nfs/dbraw/zinc/45/51/34/539455134.db2.gz AFQBEWPTHFDHDA-UHFFFAOYSA-N -1 0 361.707 2.238 50 0 FEAARM Cc1cn(C)c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C(=O)[O-] ZINC000008607615 539489291 /nfs/dbraw/zinc/48/92/91/539489291.db2.gz CRTOJKSPWZFWJM-UHFFFAOYSA-N -1 0 359.401 2.062 50 0 FEAARM Cn1c(=O)c2ccc(C(=O)NCCc3cccc(F)c3)cc2[n-]c1=S ZINC000010101841 539512857 /nfs/dbraw/zinc/51/28/57/539512857.db2.gz HKBSXWQCLMVMAA-UHFFFAOYSA-N -1 0 357.410 2.334 50 0 FEAARM Cc1ncoc1C(=O)N1CCC(C(=O)[O-])(n2cnc3ccccc32)CC1 ZINC000072429374 210065391 /nfs/dbraw/zinc/06/53/91/210065391.db2.gz DXHPSFWYEYXTGK-UHFFFAOYSA-N -1 0 354.366 2.049 50 0 FEAARM O=C(COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1)Nc1ccc(F)cc1 ZINC000012428937 539559495 /nfs/dbraw/zinc/55/94/95/539559495.db2.gz QKWMHDGHMLIKAO-DHDCSXOGSA-N -1 0 355.325 2.024 50 0 FEAARM CC(C)(C)c1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)[nH]c(=O)n1 ZINC000299773429 210019633 /nfs/dbraw/zinc/01/96/33/210019633.db2.gz AVCJDXWRPRNPTB-FQEVSTJZSA-N -1 0 369.421 2.348 50 0 FEAARM CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000299759509 210011646 /nfs/dbraw/zinc/01/16/46/210011646.db2.gz SZKUOAPJMIPXGH-ZWOKBUDYSA-N -1 0 358.438 2.010 50 0 FEAARM Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000016020228 539625988 /nfs/dbraw/zinc/62/59/88/539625988.db2.gz SOJVTVARKODFLQ-LLVKDONJSA-N -1 0 366.377 2.493 50 0 FEAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3nc4ccc(F)cc4s3)cc2[nH]1 ZINC000028248331 539829351 /nfs/dbraw/zinc/82/93/51/539829351.db2.gz LPMXZXUDLUSVGX-UHFFFAOYSA-N -1 0 364.383 2.406 50 0 FEAARM Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000032095856 539929100 /nfs/dbraw/zinc/92/91/00/539929100.db2.gz VZTDDUDXCHUNKJ-SFHVURJKSA-N -1 0 369.425 2.111 50 0 FEAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)N1CCSCC1 ZINC000034768378 539977536 /nfs/dbraw/zinc/97/75/36/539977536.db2.gz AVPXKRGNJIRZPG-UHFFFAOYSA-N -1 0 366.393 2.030 50 0 FEAARM O=C(CCc1nnc(-c2ccc3c(c2)OCO3)[n-]c1=O)NC1CCCCC1 ZINC000034768005 539977648 /nfs/dbraw/zinc/97/76/48/539977648.db2.gz QRNUSLIPGNGDFV-UHFFFAOYSA-N -1 0 370.409 2.354 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000238110023 222915053 /nfs/dbraw/zinc/91/50/53/222915053.db2.gz WERHIGNOWMWYIQ-CYBMUJFWSA-N -1 0 361.373 2.107 50 0 FEAARM O=C([O-])C1(NC(=O)c2ccccc2OC(F)(F)C(F)F)CCOCC1 ZINC000244678631 222927689 /nfs/dbraw/zinc/92/76/89/222927689.db2.gz IHEBBMGMSQFAAB-UHFFFAOYSA-N -1 0 365.279 2.287 50 0 FEAARM O=C([O-])[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 ZINC000045795998 540227947 /nfs/dbraw/zinc/22/79/47/540227947.db2.gz ZZVGLQZLGOGXIQ-OAHLLOKOSA-N -1 0 364.405 2.141 50 0 FEAARM O=C(NCc1cccc(Br)c1)c1c(=O)[nH]c2ncccc2c1[O-] ZINC000049411710 540389707 /nfs/dbraw/zinc/38/97/07/540389707.db2.gz GXWCCOXXVZBWSX-UHFFFAOYSA-N -1 0 374.194 2.321 50 0 FEAARM Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000055042374 540623261 /nfs/dbraw/zinc/62/32/61/540623261.db2.gz ZBZLKVXKXXTTER-INIZCTEOSA-N -1 0 369.421 2.318 50 0 FEAARM O=C([O-])c1cnc2c(c1)n(Cc1ncccn1)c(=O)n2C1CCCCC1 ZINC000055385667 540650154 /nfs/dbraw/zinc/65/01/54/540650154.db2.gz OVQMEOONQMDGIF-UHFFFAOYSA-N -1 0 353.382 2.240 50 0 FEAARM COc1cc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)ccc1O ZINC000057525286 540801935 /nfs/dbraw/zinc/80/19/35/540801935.db2.gz WZBFXPIRRCOCED-OAHLLOKOSA-N -1 0 367.409 2.496 50 0 FEAARM Cc1cc(Br)c([O-])c(C(=O)NCCNC(=O)c2ccco2)c1 ZINC000058017331 540827117 /nfs/dbraw/zinc/82/71/17/540827117.db2.gz QNPCRVFSTNWLDG-UHFFFAOYSA-N -1 0 367.199 2.216 50 0 FEAARM O=C1NCCCn2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000065258663 541230763 /nfs/dbraw/zinc/23/07/63/541230763.db2.gz AYCHEMXBZLCHIA-UHFFFAOYSA-N -1 0 373.356 2.441 50 0 FEAARM Cc1cc(=O)c(C(=O)NC2(C(=O)[O-])CCCCC2)nn1-c1ccccc1 ZINC000072276998 541796944 /nfs/dbraw/zinc/79/69/44/541796944.db2.gz GCLQXOUITAQFKL-UHFFFAOYSA-N -1 0 355.394 2.058 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1noc(-c3ccccc3)n1)C2 ZINC000072418820 541808382 /nfs/dbraw/zinc/80/83/82/541808382.db2.gz XJMNFFUAJMNJOF-UHFFFAOYSA-N -1 0 367.409 2.356 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000072435426 541814240 /nfs/dbraw/zinc/81/42/40/541814240.db2.gz LRKBYAJJGDPBNE-QGZVFWFLSA-N -1 0 353.422 2.091 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000072457279 541816603 /nfs/dbraw/zinc/81/66/03/541816603.db2.gz HEBVIXCYFGCODD-UHFFFAOYSA-N -1 0 353.422 2.396 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000012770824 220026717 /nfs/dbraw/zinc/02/67/17/220026717.db2.gz SDUDTVMRKGPXGX-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F ZINC000012873813 220038154 /nfs/dbraw/zinc/03/81/54/220038154.db2.gz SWOFNROSJZMERZ-UHFFFAOYSA-N -1 0 367.354 2.486 50 0 FEAARM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748736 211827485 /nfs/dbraw/zinc/82/74/85/211827485.db2.gz IAAYDQNSYRABAY-SCLBCKFNSA-N -1 0 370.405 2.156 50 0 FEAARM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccn2)ccc1OC ZINC000016648448 220189549 /nfs/dbraw/zinc/18/95/49/220189549.db2.gz ZHDBXBYRUIPSGJ-UHFFFAOYSA-N -1 0 363.439 2.339 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299336314 211770695 /nfs/dbraw/zinc/77/06/95/211770695.db2.gz FJEDOOSPFPUFNO-KCXAZCMYSA-N -1 0 365.451 2.256 50 0 FEAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(C)on1)CC2 ZINC000299271525 211753856 /nfs/dbraw/zinc/75/38/56/211753856.db2.gz NSILKJVZSBMYLB-AWEZNQCLSA-N -1 0 360.366 2.215 50 0 FEAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCSCC2)c2ccc(F)cc21 ZINC000036358269 211662234 /nfs/dbraw/zinc/66/22/34/211662234.db2.gz ICPYABLFROVPEI-MRXNPFEDSA-N -1 0 366.414 2.430 50 0 FEAARM CC(N[C@H](c1cccs1)c1ccc(C)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000023762910 211396323 /nfs/dbraw/zinc/39/63/23/211396323.db2.gz PBKXBAPBSUMFKL-HNNXBMFYSA-N -1 0 355.419 2.376 50 0 FEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000020614570 211290079 /nfs/dbraw/zinc/29/00/79/211290079.db2.gz NKLUTDRJIZUFBC-UHFFFAOYSA-N -1 0 359.773 2.269 50 0 FEAARM O=C([O-])c1c[nH]c(C2(NC(=O)c3cc(Br)c[nH]3)CCC2)n1 ZINC000037590799 211254677 /nfs/dbraw/zinc/25/46/77/211254677.db2.gz WJMPMLLISXOAHJ-UHFFFAOYSA-N -1 0 353.176 2.008 50 0 FEAARM O=c1c2c([n-]n1-c1ccccc1)[nH]c(CSc1ncccn1)cc2=O ZINC000017072870 211176376 /nfs/dbraw/zinc/17/63/76/211176376.db2.gz KNQXUVSWOQQDSQ-UHFFFAOYSA-N -1 0 351.391 2.089 50 0 FEAARM COC(=O)[C@@]([N-]c1nc2c(cccc2F)s1)(NC(C)=O)C(F)(F)F ZINC000016977315 211174828 /nfs/dbraw/zinc/17/48/28/211174828.db2.gz FLZVVXPKOSHKAY-LBPRGKRZSA-N -1 0 365.308 2.415 50 0 FEAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCc3ccco3)cc2s1 ZINC000013683331 211047881 /nfs/dbraw/zinc/04/78/81/211047881.db2.gz KIDODDXPKKJTFK-UHFFFAOYSA-N -1 0 365.436 2.233 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000013092216 211021831 /nfs/dbraw/zinc/02/18/31/211021831.db2.gz DTDVTHIQJRFDHD-QGZVFWFLSA-N -1 0 352.390 2.050 50 0 FEAARM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000076935900 542331307 /nfs/dbraw/zinc/33/13/07/542331307.db2.gz ZPAONLXCPWKESL-NSHDSACASA-N -1 0 356.835 2.232 50 0 FEAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002158037 210381561 /nfs/dbraw/zinc/38/15/61/210381561.db2.gz NSTZDWNJRDSQJA-SFHVURJKSA-N -1 0 367.357 2.292 50 0 biogenic FEAARM CCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-] ZINC000002117248 210380241 /nfs/dbraw/zinc/38/02/41/210380241.db2.gz RPQIRDLZHBGTDT-CYBMUJFWSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM CCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002104581 210380318 /nfs/dbraw/zinc/38/03/18/210380318.db2.gz NZHMWCAONPJEIE-CQSZACIVSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM Cc1c(C(=O)Nc2ccccc2C)sc2ncn(CC(=O)[O-])c(=O)c12 ZINC000001784741 210370899 /nfs/dbraw/zinc/37/08/99/210370899.db2.gz NTIOOWFDCAHTRZ-UHFFFAOYSA-N -1 0 357.391 2.412 50 0 FEAARM CCCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000001902842 210374888 /nfs/dbraw/zinc/37/48/88/210374888.db2.gz RQIMAGFPXXIMHS-LLVKDONJSA-N -1 0 350.234 2.371 50 0 FEAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000003021233 210350981 /nfs/dbraw/zinc/35/09/81/210350981.db2.gz RUWWYCCXYVVWNG-UHFFFAOYSA-N -1 0 350.234 2.372 50 0 FEAARM C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1ccccc1 ZINC000009378604 210289370 /nfs/dbraw/zinc/28/93/70/210289370.db2.gz AOMDHGIHYSHKDU-GFCCVEGCSA-N -1 0 362.407 2.242 50 0 FEAARM CCOC(=O)c1ccc(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000000790024 210270824 /nfs/dbraw/zinc/27/08/24/210270824.db2.gz WCSAMAAGDKBGGM-HNNXBMFYSA-N -1 0 360.366 2.028 50 0 FEAARM CCCn1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1=O ZINC000048382660 221012003 /nfs/dbraw/zinc/01/20/03/221012003.db2.gz QMWULNFZYGNYPO-UHFFFAOYSA-N -1 0 350.396 2.066 50 0 FEAARM COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117863 221139557 /nfs/dbraw/zinc/13/95/57/221139557.db2.gz MRTBNVZYWBXSHL-DGXRNCNBSA-N -1 0 354.200 2.404 50 0 FEAARM O=C([O-])c1cc2n(n1)CCCN(Cc1ccccc1Cn1cccn1)C2 ZINC000065369993 221203479 /nfs/dbraw/zinc/20/34/79/221203479.db2.gz RBCHFRMXFVUVKD-UHFFFAOYSA-N -1 0 351.410 2.232 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1ccc3c(c1)OC(F)(F)O3)CC(=O)N2 ZINC000065407604 221214867 /nfs/dbraw/zinc/21/48/67/221214867.db2.gz LOBKOJTXQXCVDA-VIFPVBQESA-N -1 0 365.292 2.072 50 0 FEAARM O=S(=O)([N-]c1cnn(Cc2cccnc2)c1)c1cccc(F)c1F ZINC000067890729 221301218 /nfs/dbraw/zinc/30/12/18/221301218.db2.gz PEHKJLLALWGBIW-UHFFFAOYSA-N -1 0 350.350 2.405 50 0 FEAARM COc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071285101 221339093 /nfs/dbraw/zinc/33/90/93/221339093.db2.gz ZRSRETSISIFPED-STQMWFEESA-N -1 0 361.423 2.433 50 0 FEAARM CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1F ZINC000071286703 221340459 /nfs/dbraw/zinc/34/04/59/221340459.db2.gz COHKFQYXQKBESO-UHFFFAOYSA-N -1 0 366.370 2.077 50 0 FEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000072408516 221499339 /nfs/dbraw/zinc/49/93/39/221499339.db2.gz ZXVMJUHFLMNUSV-MRXNPFEDSA-N -1 0 357.410 2.008 50 0 FEAARM Cc1cc(N2CCC[C@H](CS(C)(=O)=O)C2)nc(-c2ccccc2[O-])n1 ZINC000091536391 132202242 /nfs/dbraw/zinc/20/22/42/132202242.db2.gz DTUNMSUITRQYQP-AWEZNQCLSA-N -1 0 361.467 2.419 50 0 FEAARM O=C(Cc1ccc(F)cc1F)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000095410465 132210687 /nfs/dbraw/zinc/21/06/87/132210687.db2.gz MKTYQBSCAAHGFJ-UHFFFAOYSA-N -1 0 366.389 2.321 50 0 FEAARM O=C([O-])c1ccc(C(=O)N2CCN(c3ncnc4sccc43)CC2)s1 ZINC000238017272 132248991 /nfs/dbraw/zinc/24/89/91/132248991.db2.gz VQHXCRZCEVBBPG-UHFFFAOYSA-N -1 0 374.447 2.413 50 0 FEAARM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091724848 542821598 /nfs/dbraw/zinc/82/15/98/542821598.db2.gz IKNQWLLPYPSMBA-NWDGAFQWSA-N -1 0 359.831 2.080 50 0 FEAARM CN1C(=O)C[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c2ccccc21 ZINC000299752795 136122185 /nfs/dbraw/zinc/12/21/85/136122185.db2.gz VLINXKQDNHGJAO-FAYQHZLMSA-N -1 0 356.422 2.381 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1c[nH]c(CC3CCCC3)n1)CC2 ZINC000095368472 542961492 /nfs/dbraw/zinc/96/14/92/542961492.db2.gz JFJPTEDXYAPCHN-MRXNPFEDSA-N -1 0 374.485 2.040 50 0 FEAARM CC(C)S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000095350694 542957091 /nfs/dbraw/zinc/95/70/91/542957091.db2.gz YKEUWEAJVRLMBH-UHFFFAOYSA-N -1 0 353.440 2.386 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccc(Cl)cc1F)CC2 ZINC000095364662 542961181 /nfs/dbraw/zinc/96/11/81/542961181.db2.gz FVWYRNNUIUNYKB-LBPRGKRZSA-N -1 0 368.792 2.017 50 0 FEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000095463923 542971931 /nfs/dbraw/zinc/97/19/31/542971931.db2.gz XZNXOMAHWOWOOV-UHFFFAOYSA-N -1 0 356.334 2.042 50 0 FEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000095970624 542984453 /nfs/dbraw/zinc/98/44/53/542984453.db2.gz QVKZCDLOUYULOP-ZDUSSCGKSA-N -1 0 374.393 2.480 50 0 FEAARM Cc1ccc(C[C@H](CNC(=O)c2ccc(-n3cncn3)cc2)C(=O)[O-])cc1 ZINC000095970689 542985246 /nfs/dbraw/zinc/98/52/46/542985246.db2.gz VSEPVZYLUCTTFB-QGZVFWFLSA-N -1 0 364.405 2.249 50 0 FEAARM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc2c1OCCO2 ZINC000095989766 542985325 /nfs/dbraw/zinc/98/53/25/542985325.db2.gz UJWJKUSBKQYROU-OAHLLOKOSA-N -1 0 361.325 2.161 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@H]2C(=O)[O-])c1 ZINC000091987495 221822014 /nfs/dbraw/zinc/82/20/14/221822014.db2.gz BEJQCSIAJOYDCK-JKSUJKDBSA-N -1 0 360.435 2.329 50 0 FEAARM CCc1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)[nH]1 ZINC000095375157 221878000 /nfs/dbraw/zinc/87/80/00/221878000.db2.gz CVBNODWGUHWCKH-VBKZILBWSA-N -1 0 354.406 2.355 50 0 FEAARM CCC[C@H](CC(=O)[O-])NC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 ZINC000095989918 221986591 /nfs/dbraw/zinc/98/65/91/221986591.db2.gz WRCKXZCNWWDUCJ-GFCCVEGCSA-N -1 0 353.375 2.026 50 0 FEAARM CC(C)Cc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000096133671 222039407 /nfs/dbraw/zinc/03/94/07/222039407.db2.gz LBVHRYMABDVHKS-FOIQADDNSA-N -1 0 369.421 2.311 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000101271018 222266013 /nfs/dbraw/zinc/26/60/13/222266013.db2.gz JLKJBHYKUVVEPL-HOTGVXAUSA-N -1 0 370.340 2.341 50 0 FEAARM COc1cccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc3c(c2)CCO3)c1 ZINC000098055546 222223739 /nfs/dbraw/zinc/22/37/39/222223739.db2.gz ZRNZIPAXUQXHBJ-VURMDHGXSA-N -1 0 359.403 2.148 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1 ZINC000101277786 222267755 /nfs/dbraw/zinc/26/77/55/222267755.db2.gz KHHFFONFXRHVRC-HZPDHXFCSA-N -1 0 370.340 2.341 50 0 FEAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4cnccn4)c(=O)n1c23 ZINC000100663060 222249497 /nfs/dbraw/zinc/24/94/97/222249497.db2.gz WIXVLABZGSTBTL-VIFPVBQESA-N -1 0 354.341 2.396 50 0 FEAARM CC[C@H](C)n1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000100772509 222253003 /nfs/dbraw/zinc/25/30/03/222253003.db2.gz MYWOOYZAOLXOOB-APPDUMDISA-N -1 0 368.437 2.272 50 0 FEAARM O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@H](c2cccs2)C1 ZINC000101762186 222283742 /nfs/dbraw/zinc/28/37/42/222283742.db2.gz IPRBZAACSYMLKO-NSHDSACASA-N -1 0 360.439 2.248 50 0 FEAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC(=O)[O-] ZINC000005246770 263339745 /nfs/dbraw/zinc/33/97/45/263339745.db2.gz ZRNPUXNZYSDVOX-HNNXBMFYSA-N -1 0 362.426 2.329 50 0 FEAARM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)n1 ZINC000262817613 328892271 /nfs/dbraw/zinc/89/22/71/328892271.db2.gz PSWSSXXUJVNKHJ-HNNXBMFYSA-N -1 0 367.405 2.205 50 0 FEAARM Cc1cc(=O)n(C)cc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263090655 328914924 /nfs/dbraw/zinc/91/49/24/328914924.db2.gz SNNVSMGLPANFHS-OAHLLOKOSA-N -1 0 357.410 2.291 50 0 FEAARM CCCOc1c(Cl)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000262476849 520294423 /nfs/dbraw/zinc/29/44/23/520294423.db2.gz JYXKTIPCQISYFN-LBPRGKRZSA-N -1 0 357.790 2.063 50 0 FEAARM CCCOc1c(Cl)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OCC ZINC000268968921 520295082 /nfs/dbraw/zinc/29/50/82/520295082.db2.gz FNLJBJDVQYJZGE-ZDUSSCGKSA-N -1 0 371.817 2.453 50 0 FEAARM Cc1ccc(OCc2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])o2)c(C)c1 ZINC000268973165 525442483 /nfs/dbraw/zinc/44/24/83/525442483.db2.gz IACJZUDUKLOTER-OAHLLOKOSA-N -1 0 359.378 2.401 50 0 FEAARM Cc1oc(CN(C)C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1C(=O)[O-] ZINC000268949948 526767479 /nfs/dbraw/zinc/76/74/79/526767479.db2.gz ZUUTVQNWIQCENH-GFCCVEGCSA-N -1 0 372.377 2.059 50 0 FEAARM Cc1oc(CN(C)C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1C(=O)[O-] ZINC000268949954 526767510 /nfs/dbraw/zinc/76/75/10/526767510.db2.gz ZUUTVQNWIQCENH-LBPRGKRZSA-N -1 0 372.377 2.059 50 0 FEAARM O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000082125383 526904792 /nfs/dbraw/zinc/90/47/92/526904792.db2.gz VZPNNUGDZKVWDC-ZDUSSCGKSA-N -1 0 355.423 2.123 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000269039320 527629678 /nfs/dbraw/zinc/62/96/78/527629678.db2.gz QALISCYFUJEAFN-WXHSDQCUSA-N -1 0 373.327 2.391 50 0 FEAARM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000158892080 545903693 /nfs/dbraw/zinc/90/36/93/545903693.db2.gz VZINJKUHBFTWPG-UHFFFAOYSA-N -1 0 366.361 2.255 50 0 FEAARM CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(Br)c2)c[nH]1 ZINC000170617391 546166110 /nfs/dbraw/zinc/16/61/10/546166110.db2.gz CNIABDDZMRIERL-UHFFFAOYSA-N -1 0 374.216 2.150 50 0 FEAARM COc1ccc(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000216310238 548677233 /nfs/dbraw/zinc/67/72/33/548677233.db2.gz KRTUZFRIWXFBQS-KRWDZBQOSA-N -1 0 358.369 2.206 50 0 FEAARM Cc1ccc(F)c(CNC(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)c1F ZINC000218322570 548686804 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FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000237930254 548865226 /nfs/dbraw/zinc/86/52/26/548865226.db2.gz YBQXSPFAXRDBSM-ZDUSSCGKSA-N -1 0 360.439 2.389 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000237964895 548867848 /nfs/dbraw/zinc/86/78/48/548867848.db2.gz FBNDBBOJDFIHAT-ZWKOTPCHSA-N -1 0 372.465 2.181 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000238050662 548874964 /nfs/dbraw/zinc/87/49/64/548874964.db2.gz YYWZUZTZXKXGNR-ZDUSSCGKSA-N -1 0 368.227 2.183 50 0 FEAARM O=C([O-])CN(C(=O)Cc1ccc(F)c(Br)c1)C1CCOCC1 ZINC000238099560 548877286 /nfs/dbraw/zinc/87/72/86/548877286.db2.gz ZEQKANURPLABMW-UHFFFAOYSA-N -1 0 374.206 2.223 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000263064985 549875410 /nfs/dbraw/zinc/87/54/10/549875410.db2.gz YTFLQRRCMIWVDB-LOWVWBTDSA-N -1 0 359.300 2.001 50 0 FEAARM CN(CC(=O)NC1CC1)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263449114 549902111 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Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000685943922 571104270 /nfs/dbraw/zinc/10/42/70/571104270.db2.gz MDJLYXCQVDRGKR-IRXDYDNUSA-N -1 0 355.438 2.183 50 0 FEAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCc2ccc3sccc3c2)C1 ZINC000670468795 571359482 /nfs/dbraw/zinc/35/94/82/571359482.db2.gz BVXPTRDXLIQCBE-CYBMUJFWSA-N -1 0 354.453 2.032 50 0 FEAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Cc1cccnc1)CC2 ZINC000630160325 600190627 /nfs/dbraw/zinc/19/06/27/600190627.db2.gz AEJLPHIMJIXEEA-MRXNPFEDSA-N -1 0 370.405 2.242 50 0 FEAARM Cc1cc(=O)n2nc(Cc3nc(Cc4ccc(Cl)cc4)no3)[n-]c2n1 ZINC000032500621 670129476 /nfs/dbraw/zinc/12/94/76/670129476.db2.gz NHHUBPRIDSMEIK-UHFFFAOYSA-N -1 0 356.773 2.356 50 0 FEAARM Cc1nn(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c(C)c1Br ZINC000725347144 673089306 /nfs/dbraw/zinc/08/93/06/673089306.db2.gz NXENVMHVUKZKSA-VIFPVBQESA-N -1 0 362.224 2.240 50 0 FEAARM CCNc1nc([N-]c2nc(C)c(C(=O)OCC)s2)nc(NCC)n1 ZINC000000658086 210258533 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O=C([O-])CCS[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000004371472 539383358 /nfs/dbraw/zinc/38/33/58/539383358.db2.gz XIHZBUOTIJPHPY-SNVBAGLBSA-N -1 0 363.313 2.425 50 0 FEAARM CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000004917326 539395488 /nfs/dbraw/zinc/39/54/88/539395488.db2.gz HPTIFMDZYFQKHI-GZMMTYOYSA-N -1 0 350.234 2.227 50 0 FEAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000005022829 539400116 /nfs/dbraw/zinc/40/01/16/539400116.db2.gz YHZXOYUJGCFJLF-UHFFFAOYSA-N -1 0 365.407 2.292 50 0 FEAARM COc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc2c1OCCO2 ZINC000013428354 210143307 /nfs/dbraw/zinc/14/33/07/210143307.db2.gz XLTUPGWPZURJRC-UBHSHLNASA-N -1 0 361.394 2.324 50 0 FEAARM O=C([N-][C@@H](CO)c1ccccc1)C(F)(Br)Br ZINC000005947801 539419559 /nfs/dbraw/zinc/41/95/59/539419559.db2.gz SUZHGRUUVJGAJK-QMMMGPOBSA-N -1 0 355.001 2.249 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000013260609 210142093 /nfs/dbraw/zinc/14/20/93/210142093.db2.gz IRGCACYPPCTUQZ-VXGBXAGGSA-N -1 0 350.802 2.016 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000007505366 539459926 /nfs/dbraw/zinc/45/99/26/539459926.db2.gz PFNOKYQHSKZYTA-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM O=C([O-])CCCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000008191087 539479882 /nfs/dbraw/zinc/47/98/82/539479882.db2.gz KEBBUDXXRCAKBD-UHFFFAOYSA-N -1 0 365.389 2.039 50 0 FEAARM CCC(NN1CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000008969326 539495438 /nfs/dbraw/zinc/49/54/38/539495438.db2.gz AESJNZVXICECOS-FOCLMDBBSA-N -1 0 372.425 2.137 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000013317266 539586203 /nfs/dbraw/zinc/58/62/03/539586203.db2.gz MYJASIKIPFTNRH-UHFFFAOYSA-N -1 0 352.390 2.437 50 0 FEAARM CC(NN1CCCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000016994558 539638542 /nfs/dbraw/zinc/63/85/42/539638542.db2.gz AQMUVCPTZQZQCE-JQIJEIRASA-N -1 0 356.426 2.437 50 0 FEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCC3)c1 ZINC000024969097 539745148 /nfs/dbraw/zinc/74/51/48/539745148.db2.gz BNDYTXQFHNBCCW-UHFFFAOYSA-N -1 0 358.427 2.032 50 0 FEAARM COc1ccccc1CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001322334 219394837 /nfs/dbraw/zinc/39/48/37/219394837.db2.gz VWJDEUFNNQNDBZ-UHFFFAOYSA-N -1 0 350.374 2.202 50 0 FEAARM Cn1cnc2cc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)ccc21 ZINC000035453232 539982123 /nfs/dbraw/zinc/98/21/23/539982123.db2.gz BTQGUQZNEFSNCM-UHFFFAOYSA-N -1 0 369.406 2.102 50 0 FEAARM CCn1cc(-c2cc(C(F)(F)F)n3nc(CCC(=O)[O-])nc3n2)cn1 ZINC000035655602 539984205 /nfs/dbraw/zinc/98/42/05/539984205.db2.gz KXOHRXHBKAXMNF-UHFFFAOYSA-N -1 0 354.292 2.044 50 0 FEAARM COc1cccc(-c2nc(CC(=O)NCCCC(=O)[O-])cs2)c1OC ZINC000036354993 539989603 /nfs/dbraw/zinc/98/96/03/539989603.db2.gz FOCCGWSYFTXNFT-UHFFFAOYSA-N -1 0 364.423 2.351 50 0 FEAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccccc1Br ZINC000037591605 539997373 /nfs/dbraw/zinc/99/73/73/539997373.db2.gz IUEINUJSPYIJCF-SECBINFHSA-N -1 0 350.234 2.323 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CCO1 ZINC000238053467 222913894 /nfs/dbraw/zinc/91/38/94/222913894.db2.gz KOCFFLPVXGBTEX-AWEZNQCLSA-N -1 0 364.398 2.194 50 0 FEAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000004084592 219540324 /nfs/dbraw/zinc/54/03/24/219540324.db2.gz ADLQHGOSJQKJRI-IOASZLSFSA-N -1 0 360.435 2.111 50 0 biogenic FEAARM O=C([O-])[C@@]1(NC(=O)CCc2cccc(Br)c2)CCSC1 ZINC000043510363 540102612 /nfs/dbraw/zinc/10/26/12/540102612.db2.gz LQVQSNMOHLUTDW-CQSZACIVSA-N -1 0 358.257 2.458 50 0 FEAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008104653 219846618 /nfs/dbraw/zinc/84/66/18/219846618.db2.gz IXVFHYWSOKNFKC-UHFFFAOYSA-N -1 0 363.391 2.276 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000057115442 540769486 /nfs/dbraw/zinc/76/94/86/540769486.db2.gz ZFWGTPRHMDTRRX-GFCCVEGCSA-N -1 0 361.419 2.462 50 0 FEAARM CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC)cn1 ZINC000057280303 540785328 /nfs/dbraw/zinc/78/53/28/540785328.db2.gz WWDKZCYEYMMXDC-UHFFFAOYSA-N -1 0 362.455 2.348 50 0 FEAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cnc(-c4ccccc4)nc3)cc2o1 ZINC000012508368 220001997 /nfs/dbraw/zinc/00/19/97/220001997.db2.gz WRUQIPVKKJBSGK-UHFFFAOYSA-N -1 0 368.374 2.379 50 0 FEAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)CCn3cccn3)CC2)c1 ZINC000072425130 541811298 /nfs/dbraw/zinc/81/12/98/541811298.db2.gz UGUUTPYQDAPHBW-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)CCc3ccco3)CC2)cn1 ZINC000072435070 541813749 /nfs/dbraw/zinc/81/37/49/541813749.db2.gz ONCIJTLTYSRLMI-UHFFFAOYSA-N -1 0 358.394 2.440 50 0 FEAARM O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000072477731 541820121 /nfs/dbraw/zinc/82/01/21/541820121.db2.gz QLCCPJWMLSCWQV-HNNXBMFYSA-N -1 0 351.374 2.219 50 0 FEAARM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(=O)n(C)c1 ZINC000057122867 211967955 /nfs/dbraw/zinc/96/79/55/211967955.db2.gz UYLZHHKAHYWSKP-UHFFFAOYSA-N -1 0 350.396 2.008 50 0 FEAARM O=C([O-])c1ccc(CCNC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 ZINC000299748813 211827212 /nfs/dbraw/zinc/82/72/12/211827212.db2.gz IHGAHAMZCRUDLZ-UHFFFAOYSA-N -1 0 371.368 2.026 50 0 FEAARM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000016650230 220190180 /nfs/dbraw/zinc/19/01/80/220190180.db2.gz GPVGJSKSNNOVLI-UHFFFAOYSA-N -1 0 366.370 2.027 50 0 FEAARM CC[C@H](C)n1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000017014298 220200050 /nfs/dbraw/zinc/20/00/50/220200050.db2.gz XWJGEPHQRHMSAS-APPDUMDISA-N -1 0 368.437 2.272 50 0 FEAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(C)on1)CC2 ZINC000299271527 211752480 /nfs/dbraw/zinc/75/24/80/211752480.db2.gz NSILKJVZSBMYLB-CQSZACIVSA-N -1 0 360.366 2.215 50 0 FEAARM C[C@@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396608 211743044 /nfs/dbraw/zinc/74/30/44/211743044.db2.gz ARRDVFRZSLJFKP-JTQLQIEISA-N -1 0 352.325 2.496 50 0 FEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020491723 211283110 /nfs/dbraw/zinc/28/31/10/211283110.db2.gz FVVZRAWRVQPSJG-UHFFFAOYSA-N -1 0 362.407 2.444 50 0 FEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(F)cc2)c1 ZINC000014222803 211085681 /nfs/dbraw/zinc/08/56/81/211085681.db2.gz ALPCFUMNDPNFGO-UHFFFAOYSA-N -1 0 363.418 2.222 50 0 FEAARM O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(Br)cc1 ZINC000014017267 211069580 /nfs/dbraw/zinc/06/95/80/211069580.db2.gz LRHJSSAAALOEPN-UHFFFAOYSA-N -1 0 367.224 2.298 50 0 FEAARM CCCCNC(=O)CSC1=NC(=O)C(Cc2ccccc2F)C([O-])=N1 ZINC000013453993 211034598 /nfs/dbraw/zinc/03/45/98/211034598.db2.gz BKZLFMSHWQGEIX-UHFFFAOYSA-N -1 0 365.430 2.214 50 0 FEAARM CS(=O)(=O)c1cccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000013429253 211032233 /nfs/dbraw/zinc/03/22/33/211032233.db2.gz QZUZAXRXTNNMJT-UHFFFAOYSA-N -1 0 361.419 2.207 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013256770 211028011 /nfs/dbraw/zinc/02/80/11/211028011.db2.gz RLEYVDGDQOIBTQ-CQSZACIVSA-N -1 0 358.785 2.417 50 0 FEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012198528 210927747 /nfs/dbraw/zinc/92/77/47/210927747.db2.gz ZCAWWBIICSJSBX-UHFFFAOYSA-N -1 0 374.418 2.401 50 0 FEAARM CC(C)OCCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000004808492 210565528 /nfs/dbraw/zinc/56/55/28/210565528.db2.gz LCMZJEVSDNUPAY-CQSZACIVSA-N -1 0 351.424 2.420 50 0 FEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)N1 ZINC000004554644 210539857 /nfs/dbraw/zinc/53/98/57/210539857.db2.gz QYINCPWVXWEDGG-BBRMVZONSA-N -1 0 373.386 2.423 50 0 FEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1C ZINC000004411714 210529412 /nfs/dbraw/zinc/52/94/12/210529412.db2.gz HVLJCAJCKRFZOQ-UHFFFAOYSA-N -1 0 362.455 2.273 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000002929011 210437943 /nfs/dbraw/zinc/43/79/43/210437943.db2.gz AIPAFWCZGALHPU-HNNXBMFYSA-N -1 0 356.403 2.209 50 0 FEAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NC1CC1 ZINC000009828545 210340946 /nfs/dbraw/zinc/34/09/46/210340946.db2.gz XSYOMTAQYYBXGJ-UHFFFAOYSA-N -1 0 371.871 2.418 50 0 FEAARM CCNc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc(NCC)n1 ZINC000000854241 210280887 /nfs/dbraw/zinc/28/08/87/210280887.db2.gz PDCBNZIKWZMYKZ-UHFFFAOYSA-N -1 0 356.839 2.189 50 0 FEAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc1 ZINC000022458904 220387504 /nfs/dbraw/zinc/38/75/04/220387504.db2.gz GYCNRLLRNNBFEY-HNNXBMFYSA-N -1 0 373.482 2.150 50 0 FEAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)no3)cc2[nH]1 ZINC000028249159 220567739 /nfs/dbraw/zinc/56/77/39/220567739.db2.gz ZHHVFUUORZASSB-UHFFFAOYSA-N -1 0 356.363 2.312 50 0 FEAARM O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000065042002 221165706 /nfs/dbraw/zinc/16/57/06/221165706.db2.gz HLROQDIRPVSMQE-UHFFFAOYSA-N -1 0 365.451 2.479 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2c1=O ZINC000065247038 221187205 /nfs/dbraw/zinc/18/72/05/221187205.db2.gz DIFNNHUPDHUARD-UHFFFAOYSA-N -1 0 366.830 2.279 50 0 FEAARM COc1ccc(-n2ncc([C@@H]3CC(=O)Nc4[nH]nc(C(=O)[O-])c43)c2C)cc1 ZINC000065404708 221213271 /nfs/dbraw/zinc/21/32/71/221213271.db2.gz VDIHUPAMMIFUMY-LBPRGKRZSA-N -1 0 367.365 2.085 50 0 FEAARM COc1cccc([C@H](C)NC(=O)N2CCCn3nc(C(=O)[O-])cc3C2)c1 ZINC000065419598 221216582 /nfs/dbraw/zinc/21/65/82/221216582.db2.gz YNORCFGTTSLSNS-LBPRGKRZSA-N -1 0 358.398 2.266 50 0 FEAARM O=c1cc(CCc2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)o[n-]1 ZINC000065420246 221218180 /nfs/dbraw/zinc/21/81/80/221218180.db2.gz DPEQCAMYRFAOMK-UHFFFAOYSA-N -1 0 354.366 2.395 50 0 FEAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1[nH]cnc1-c1ccccc1)C2 ZINC000067758957 221283079 /nfs/dbraw/zinc/28/30/79/221283079.db2.gz KUVXHZAHLHSAKO-UHFFFAOYSA-N -1 0 365.393 2.190 50 0 FEAARM Cc1cc(-n2c(CCc3ccccc3)nnc2SCC(=O)[O-])n(C)n1 ZINC000067847678 221293560 /nfs/dbraw/zinc/29/35/60/221293560.db2.gz PQSRAIPYCGNQKN-UHFFFAOYSA-N -1 0 357.439 2.271 50 0 FEAARM COc1ccc(C(=O)N2CCC(c3cc(CC(=O)[O-])n[nH]3)CC2)cc1C ZINC000067973577 221311052 /nfs/dbraw/zinc/31/10/52/221311052.db2.gz VYMDKWBHJAMMCT-UHFFFAOYSA-N -1 0 357.410 2.374 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000071284116 221339483 /nfs/dbraw/zinc/33/94/83/221339483.db2.gz SDYWKFXBZSAHKU-UHFFFAOYSA-N -1 0 363.333 2.074 50 0 FEAARM Cc1ccc([C@@H]2Nc3ncnn3[C@@](O)(C(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000072332360 221468879 /nfs/dbraw/zinc/46/88/79/221468879.db2.gz NIWGPNKZBWIVQQ-BXWFABGCSA-N -1 0 350.378 2.267 50 0 FEAARM Cc1c2c(cc(=O)n1NC(=O)c1ccccc1)[n-]n(-c1ccccc1)c2=O ZINC000072401187 221494821 /nfs/dbraw/zinc/49/48/21/221494821.db2.gz NJQGKWSNNHLSEN-UHFFFAOYSA-N -1 0 360.373 2.173 50 0 FEAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1cccc(F)c1)CCN(C(=O)C1CC1)CC2 ZINC000072422906 221511682 /nfs/dbraw/zinc/51/16/82/221511682.db2.gz BKKJSZHULURTNT-INIZCTEOSA-N -1 0 374.412 2.144 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC(Cn4ccnc4)CC3)n2)c1 ZINC000077406289 132184061 /nfs/dbraw/zinc/18/40/61/132184061.db2.gz CJGDSPHLPIAZHQ-UHFFFAOYSA-N -1 0 364.409 2.350 50 0 FEAARM CCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2ccc(N)nc2)CC1 ZINC000095355373 132207119 /nfs/dbraw/zinc/20/71/19/132207119.db2.gz QPLZQIMOKQIWBH-GOSISDBHSA-N -1 0 356.426 2.010 50 0 FEAARM CCCn1cc(C(=O)N2CCN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000095497209 132211795 /nfs/dbraw/zinc/21/17/95/132211795.db2.gz RIYXIUAWHHPMAF-QGZVFWFLSA-N -1 0 356.426 2.017 50 0 FEAARM O=C([O-])C[C@H](NC(=O)c1ccccc1N1CCOCC1)c1ccccc1 ZINC000252505385 132292778 /nfs/dbraw/zinc/29/27/78/132292778.db2.gz VQPYKAZHELTRGW-KRWDZBQOSA-N -1 0 354.406 2.469 50 0 FEAARM Cc1ccc(N2C(=Nc3nc(C)cc(C)n3)NC(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000000814382 132378791 /nfs/dbraw/zinc/37/87/91/132378791.db2.gz PSRCUSDEKWVQGK-CQSZACIVSA-N -1 0 353.382 2.060 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccc(Br)s2)CCO1 ZINC000091292382 542803998 /nfs/dbraw/zinc/80/39/98/542803998.db2.gz CDIRBEPLMVPTMW-HDMKULJXSA-N -1 0 360.229 2.226 50 0 FEAARM Cc1oc2c(c1C(=O)N1C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C1)C(=O)CCC2 ZINC000091493932 542811126 /nfs/dbraw/zinc/81/11/26/542811126.db2.gz WRGWNKKEZDGWTK-UONOGXRCSA-N -1 0 368.389 2.442 50 0 FEAARM O=C([O-])[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@H]1c1ccccn1 ZINC000091755762 542823518 /nfs/dbraw/zinc/82/35/18/542823518.db2.gz QOPVICSLSZCMQF-HZPDHXFCSA-N -1 0 366.421 2.017 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2C(=O)[O-])c1 ZINC000091871721 542829947 /nfs/dbraw/zinc/82/99/47/542829947.db2.gz QQAHYGDJVNPQTG-JKSUJKDBSA-N -1 0 369.421 2.238 50 0 FEAARM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[nH]1 ZINC000095368401 542961544 /nfs/dbraw/zinc/96/15/44/542961544.db2.gz TXQRKVPMXCYQHE-INIZCTEOSA-N -1 0 369.421 2.034 50 0 FEAARM COc1ccccc1/C=C/CN1CCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000067790211 136137610 /nfs/dbraw/zinc/13/76/10/136137610.db2.gz KYOGFENGDLHIAA-GQCTYLIASA-N -1 0 354.410 2.019 50 0 FEAARM Nc1cc(N2CCC[C@](C/C=C/c3ccccc3)(C(=O)[O-])C2)nc(N)n1 ZINC000071738756 136139844 /nfs/dbraw/zinc/13/98/44/136139844.db2.gz HTOPCHZNPHMLMV-AMGQUURNSA-N -1 0 353.426 2.416 50 0 FEAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095374047 542963824 /nfs/dbraw/zinc/96/38/24/542963824.db2.gz BBRFEJNSDSZFMM-HNNXBMFYSA-N -1 0 363.439 2.293 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000095361810 542960013 /nfs/dbraw/zinc/96/00/13/542960013.db2.gz VLXZEWFYKJWACR-NSHDSACASA-N -1 0 368.792 2.017 50 0 FEAARM Cc1nc(CC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)cs1 ZINC000095387835 542966826 /nfs/dbraw/zinc/96/68/26/542966826.db2.gz FRWXZQALRLBRBA-IFXJQAMLSA-N -1 0 372.446 2.159 50 0 FEAARM Cc1ncsc1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095390582 542968534 /nfs/dbraw/zinc/96/85/34/542968534.db2.gz PZCRBJSRWJBRQA-AUUYWEPGSA-N -1 0 372.446 2.474 50 0 FEAARM CCN(CC(=O)[O-])C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000095424626 542968934 /nfs/dbraw/zinc/96/89/34/542968934.db2.gz YYZXXNJPZYWOJI-UHFFFAOYSA-N -1 0 350.396 2.374 50 0 FEAARM O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(OCC(F)(F)F)nc1 ZINC000095466359 542971835 /nfs/dbraw/zinc/97/18/35/542971835.db2.gz KDUYZJLYHAZDAF-UHFFFAOYSA-N -1 0 364.305 2.084 50 0 FEAARM CCOC(=O)c1csc(=NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)[n-]1 ZINC000095477734 542973060 /nfs/dbraw/zinc/97/30/60/542973060.db2.gz CKRGJZOHLYDNQQ-UHFFFAOYSA-N -1 0 372.406 2.971 50 0 FEAARM CSc1nn2c(nc(C)cc2C(=O)[O-])c1S(=O)(=O)c1ccccc1 ZINC000085392336 221732466 /nfs/dbraw/zinc/73/24/66/221732466.db2.gz BNFQNOAKYRMPFD-UHFFFAOYSA-N -1 0 363.420 2.291 50 0 FEAARM COc1cc(C(=O)N2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)ccn1 ZINC000091440594 221758216 /nfs/dbraw/zinc/75/82/16/221758216.db2.gz ODFPAGWFXJOUGG-LSDHHAIUSA-N -1 0 356.378 2.039 50 0 FEAARM Cc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)nc1 ZINC000091757157 221792712 /nfs/dbraw/zinc/79/27/12/221792712.db2.gz HPBUZXMOJDCKDP-UONOGXRCSA-N -1 0 354.362 2.059 50 0 FEAARM O=C1O[C@@H](c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)c2ccccc21 ZINC000103564119 222339491 /nfs/dbraw/zinc/33/94/91/222339491.db2.gz POPSCCBQWYGMJY-CQSZACIVSA-N -1 0 370.748 2.145 50 0 FEAARM COc1ccc(Br)cc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101675507 222280369 /nfs/dbraw/zinc/28/03/69/222280369.db2.gz XMIUXBIPLDQVFZ-SNVBAGLBSA-N -1 0 351.160 2.033 50 0 FEAARM O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@H](c2ccccc2)C1 ZINC000101762038 222284308 /nfs/dbraw/zinc/28/43/08/222284308.db2.gz CGQXSRCDSIWNPB-AWEZNQCLSA-N -1 0 354.410 2.186 50 0 FEAARM C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102043455 222288429 /nfs/dbraw/zinc/28/84/29/222288429.db2.gz VCQPJDVXBKOSTO-AAEUAGOBSA-N -1 0 361.467 2.300 50 0 FEAARM COc1cccc(CC(=O)NCC([O-])=C2C(=O)Nc3ccccc32)c1OC ZINC000102315612 222294044 /nfs/dbraw/zinc/29/40/44/222294044.db2.gz CYKDJTYSEIVILS-OBGWFSINSA-N -1 0 368.389 2.284 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155807955 222552261 /nfs/dbraw/zinc/55/22/61/222552261.db2.gz NEMJUNTZXNTOTF-STQMWFEESA-N 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O=C([O-])[C@@H]1CCCN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000262067724 549785226 /nfs/dbraw/zinc/78/52/26/549785226.db2.gz BPORDMXUNANYLR-IBGZPJMESA-N -1 0 368.433 2.431 50 0 FEAARM COc1ccc(-c2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000262431598 549819386 /nfs/dbraw/zinc/81/93/86/549819386.db2.gz JVYXDJJKNSHSOV-ZDUSSCGKSA-N -1 0 362.407 2.134 50 0 FEAARM CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000262811952 549852449 /nfs/dbraw/zinc/85/24/49/549852449.db2.gz BBXDAWPFNATIHL-GFCCVEGCSA-N -1 0 374.359 2.484 50 0 FEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCN1C(=O)COc2ccccc21 ZINC000298378789 553418460 /nfs/dbraw/zinc/41/84/60/553418460.db2.gz BJROCSYRGIVQKH-UHFFFAOYSA-N -1 0 368.389 2.159 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nncn1-c1ccccc1 ZINC000299751269 553610272 /nfs/dbraw/zinc/61/02/72/553610272.db2.gz QCFZWKNDBHSUOW-UAGQMJEPSA-N -1 0 368.437 2.444 50 0 FEAARM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@H]3COc4ccccc43)c2)n1 ZINC000373562936 557718482 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CCn1ccc(CC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000652068866 677470070 /nfs/dbraw/zinc/47/00/70/677470070.db2.gz QZUNGBCJXHXULY-JKSUJKDBSA-N -1 0 361.829 2.426 50 0 FEAARM COC[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC000668302973 679163504 /nfs/dbraw/zinc/16/35/04/679163504.db2.gz VVVSFWSFQOHRPC-OLZOCXBDSA-N -1 0 372.215 2.071 50 0 FEAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000000627722 210251825 /nfs/dbraw/zinc/25/18/25/210251825.db2.gz ZSFPOBACWDXNLK-GOSISDBHSA-N -1 0 361.394 2.268 50 0 FEAARM O=C([O-])c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000002627774 539349758 /nfs/dbraw/zinc/34/97/58/539349758.db2.gz HZWUWYUGWFLYHH-CYBMUJFWSA-N -1 0 361.423 2.197 50 0 FEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccccc2)cc1Cl ZINC000002804758 539353708 /nfs/dbraw/zinc/35/37/08/539353708.db2.gz RCKJONQTOVPJAL-UHFFFAOYSA-N -1 0 365.846 2.428 50 0 FEAARM CCCCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974439 539357997 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CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1 ZINC000328597122 210110688 /nfs/dbraw/zinc/11/06/88/210110688.db2.gz DRAZCMRWFXYPGD-CQSZACIVSA-N -1 0 354.472 2.479 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000011866851 539537284 /nfs/dbraw/zinc/53/72/84/539537284.db2.gz FQRHUHMCZUITNO-OAHLLOKOSA-N -1 0 361.394 2.268 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c12 ZINC000011865667 539537289 /nfs/dbraw/zinc/53/72/89/539537289.db2.gz DZZVZQTWJZNCLC-QGZVFWFLSA-N -1 0 361.394 2.186 50 0 FEAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000062119902 210081458 /nfs/dbraw/zinc/08/14/58/210081458.db2.gz IHPKYKJHSUAERC-ZETCQYMHSA-N -1 0 368.636 2.198 50 0 FEAARM O=C([O-])c1cccc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000012606063 539568257 /nfs/dbraw/zinc/56/82/57/539568257.db2.gz BZTDSCFPCYGUSA-UHFFFAOYSA-N -1 0 361.301 2.104 50 0 FEAARM CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000025286497 539753638 /nfs/dbraw/zinc/75/36/38/539753638.db2.gz QKQYWQLOCMFVIV-SFHVURJKSA-N -1 0 374.462 2.011 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000025369161 539757555 /nfs/dbraw/zinc/75/75/55/539757555.db2.gz YIXBFCMCCDJITE-UHFFFAOYSA-N -1 0 362.407 2.196 50 0 FEAARM COc1ccccc1NC(=O)c1sc2ncn(CC(=O)[O-])c(=O)c2c1C ZINC000000791275 219321953 /nfs/dbraw/zinc/32/19/53/219321953.db2.gz OEWGYNNPDSAWOL-UHFFFAOYSA-N -1 0 373.390 2.112 50 0 FEAARM O=C([O-])CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000959163 219347923 /nfs/dbraw/zinc/34/79/23/219347923.db2.gz GWKWCFOJMAFVIB-UHFFFAOYSA-N -1 0 353.330 2.040 50 0 biogenic FEAARM O=C1N[C@H](c2ccccc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000001006980 219353203 /nfs/dbraw/zinc/35/32/03/219353203.db2.gz SCRCGIHQSKHGKJ-WOSRLPQWSA-N -1 0 365.311 2.186 50 0 FEAARM C[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc(-c2ccccc2)c(F)c1 ZINC000223915442 222800793 /nfs/dbraw/zinc/80/07/93/222800793.db2.gz KAQKPVLGVGUVFU-GFCCVEGCSA-N -1 0 354.385 2.367 50 0 FEAARM Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000031819894 539921556 /nfs/dbraw/zinc/92/15/56/539921556.db2.gz WJPMTRFWONSVSX-GFCCVEGCSA-N -1 0 365.349 2.498 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)c(OC)c1 ZINC000033048534 539965414 /nfs/dbraw/zinc/96/54/14/539965414.db2.gz KNLKIGSDIOCARX-UHFFFAOYSA-N -1 0 370.452 2.202 50 0 FEAARM CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1C(C)(C)C ZINC000236880755 222904582 /nfs/dbraw/zinc/90/45/82/222904582.db2.gz XCTZJXDHRNUNCK-UHFFFAOYSA-N -1 0 351.447 2.467 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000238035398 222913307 /nfs/dbraw/zinc/91/33/07/222913307.db2.gz SOGADDZQUODUBA-DOTOQJQBSA-N -1 0 368.364 2.290 50 0 FEAARM CCN(c1ccccc1)S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000053644393 540547303 /nfs/dbraw/zinc/54/73/03/540547303.db2.gz SRTNZLVTFVLOCY-UHFFFAOYSA-N -1 0 363.391 2.371 50 0 FEAARM COc1ccc(OC)c(CNC(=O)c2c(=O)[nH]c3ccsc3c2[O-])c1 ZINC000065215600 541228708 /nfs/dbraw/zinc/22/87/08/541228708.db2.gz WSJISPKOUAGPIY-UHFFFAOYSA-N -1 0 360.391 2.242 50 0 FEAARM Cc1cnc2c(C(=O)N3CC[C@@H](c4ccccc4C(=O)[O-])C3)cnn2c1 ZINC000072155910 541790883 /nfs/dbraw/zinc/79/08/83/541790883.db2.gz CLQDRMILOKVFKC-CYBMUJFWSA-N -1 0 350.378 2.366 50 0 FEAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@@H]1COCCO1 ZINC000064820799 212044811 /nfs/dbraw/zinc/04/48/11/212044811.db2.gz LMTIMGNMCBMTIK-CQSZACIVSA-N -1 0 350.415 2.365 50 0 FEAARM O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000072477732 541820600 /nfs/dbraw/zinc/82/06/00/541820600.db2.gz QLCCPJWMLSCWQV-OAHLLOKOSA-N -1 0 351.374 2.219 50 0 FEAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000012652885 220015843 /nfs/dbraw/zinc/01/58/43/220015843.db2.gz WMMKYCRYHFISTQ-GHRIWEEISA-N -1 0 368.389 2.057 50 0 FEAARM CN(C)S(=O)(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013252247 220062388 /nfs/dbraw/zinc/06/23/88/220062388.db2.gz VEPZIFRHYOIIJU-UHFFFAOYSA-N -1 0 368.455 2.301 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013195815 220060769 /nfs/dbraw/zinc/06/07/69/220060769.db2.gz HRBNNPYTUUXJCT-AWEZNQCLSA-N -1 0 365.407 2.198 50 0 FEAARM COc1ccc(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000299751232 211833272 /nfs/dbraw/zinc/83/32/72/211833272.db2.gz PZVXCEWTNBKGFE-KRWDZBQOSA-N -1 0 359.353 2.427 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000299741669 211821940 /nfs/dbraw/zinc/82/19/40/211821940.db2.gz ACMVJATUWJHPDQ-YOEHRIQHSA-N -1 0 357.410 2.160 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000299741074 211820292 /nfs/dbraw/zinc/82/02/92/211820292.db2.gz COXPUFWDNQABEG-DLBZAZTESA-N -1 0 355.394 2.272 50 0 FEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2)n1 ZINC000014225609 211086728 /nfs/dbraw/zinc/08/67/28/211086728.db2.gz JCASITTZZGVTTB-UHFFFAOYSA-N -1 0 363.418 2.222 50 0 FEAARM COC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012520916 210962564 /nfs/dbraw/zinc/96/25/64/210962564.db2.gz PVLGDMVEEXNJMD-LBPRGKRZSA-N -1 0 366.414 2.391 50 0 FEAARM C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000005093108 210598989 /nfs/dbraw/zinc/59/89/89/210598989.db2.gz JJXSLXXACNKCRL-QQMDNXKGSA-N -1 0 362.769 2.293 50 0 FEAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002102851 210380739 /nfs/dbraw/zinc/38/07/39/210380739.db2.gz XGERTZRNQOBHEX-RYUDHWBXSA-N -1 0 373.405 2.337 50 0 FEAARM CSc1ccc(S(=O)(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000020275295 220320103 /nfs/dbraw/zinc/32/01/03/220320103.db2.gz UNHXXDPNDHRVFE-UHFFFAOYSA-N -1 0 367.448 2.464 50 0 FEAARM Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000020609895 220336528 /nfs/dbraw/zinc/33/65/28/220336528.db2.gz WWHBUEWQELPWCK-ZDUSSCGKSA-N -1 0 361.394 2.273 50 0 FEAARM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccco1 ZINC000010251761 210345111 /nfs/dbraw/zinc/34/51/11/210345111.db2.gz RGWCAYVLPNGOFF-UHFFFAOYSA-N -1 0 355.741 2.213 50 0 FEAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000077470005 542385768 /nfs/dbraw/zinc/38/57/68/542385768.db2.gz PGHRAJYOQABMIP-ZDUSSCGKSA-N -1 0 355.354 2.122 50 0 FEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)n1 ZINC000000995060 210300388 /nfs/dbraw/zinc/30/03/88/210300388.db2.gz PRJJCUPDTLWLFU-UHFFFAOYSA-N -1 0 369.406 2.233 50 0 FEAARM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1ccc(Cl)nc1 ZINC000048302789 221006866 /nfs/dbraw/zinc/00/68/66/221006866.db2.gz JMMBBIFPDMAFQO-UHFFFAOYSA-N -1 0 353.766 2.256 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)c1 ZINC000064976595 221159538 /nfs/dbraw/zinc/15/95/38/221159538.db2.gz HVYKHEQACCGBRE-UHFFFAOYSA-N -1 0 353.787 2.319 50 0 FEAARM O=c1ccc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)n[nH]1 ZINC000065119306 221171179 /nfs/dbraw/zinc/17/11/79/221171179.db2.gz MQZHEBALABGAKA-UHFFFAOYSA-N -1 0 351.384 2.438 50 0 FEAARM Cc1ccc(NC(=O)CC(=O)NCCOc2cccc(C(=O)[O-])c2)cc1 ZINC000065371754 221204690 /nfs/dbraw/zinc/20/46/90/221204690.db2.gz BJISJQCLUYFSOP-UHFFFAOYSA-N -1 0 356.378 2.217 50 0 FEAARM CCn1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccc(OC)cc2)n1 ZINC000065385189 221208505 /nfs/dbraw/zinc/20/85/05/221208505.db2.gz UMRNSQMRSQHHOS-UHFFFAOYSA-N -1 0 359.411 2.336 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2c1=O ZINC000065247022 221187163 /nfs/dbraw/zinc/18/71/63/221187163.db2.gz VHWOJIQQKQYFKA-UHFFFAOYSA-N -1 0 360.439 2.242 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2c1=O ZINC000065247001 221187367 /nfs/dbraw/zinc/18/73/67/221187367.db2.gz UWZBLJQOWWRBEM-UHFFFAOYSA-N -1 0 360.439 2.242 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc2c1OCCO2 ZINC000065643132 221236083 /nfs/dbraw/zinc/23/60/83/221236083.db2.gz NDWVINDLOWWQAU-UHFFFAOYSA-N -1 0 359.812 2.291 50 0 FEAARM CC(=O)c1ccc(-n2c(SCC(=O)[O-])nnc2-c2nc[nH]c2C)cc1 ZINC000067755018 221280303 /nfs/dbraw/zinc/28/03/03/221280303.db2.gz MRERHMQNIYXRKL-UHFFFAOYSA-N -1 0 357.395 2.345 50 0 FEAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCCN(c4ncccn4)CC3)c12 ZINC000067947654 221307508 /nfs/dbraw/zinc/30/75/08/221307508.db2.gz NAFGNRNWGTVERX-UHFFFAOYSA-N -1 0 370.438 2.205 50 0 FEAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2ccc(Cl)nc2)C1=O ZINC000069653199 221326932 /nfs/dbraw/zinc/32/69/32/221326932.db2.gz FBXVZDKTMGQECA-GOSISDBHSA-N -1 0 372.812 2.323 50 0 FEAARM COCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284103 221339228 /nfs/dbraw/zinc/33/92/28/221339228.db2.gz WPBKAIVPKRLXPC-STQMWFEESA-N -1 0 354.790 2.220 50 0 FEAARM COc1ccc(NC(=O)C2CCC2)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071289079 221340221 /nfs/dbraw/zinc/34/02/21/221340221.db2.gz JSSDKIWDXXFCIP-UHFFFAOYSA-N -1 0 370.365 2.174 50 0 FEAARM CC(C)n1[nH]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(C(=O)[O-])cc1 ZINC000079479854 542521490 /nfs/dbraw/zinc/52/14/90/542521490.db2.gz XCNOKPVKTWPRDO-UHFFFAOYSA-N -1 0 367.365 2.263 50 0 FEAARM O=C([O-])c1ccc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)nc1 ZINC000095355683 132207292 /nfs/dbraw/zinc/20/72/92/132207292.db2.gz DLNGMVUPUUTNCV-INIZCTEOSA-N -1 0 373.453 2.168 50 0 FEAARM COc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c1OC ZINC000095369798 132208541 /nfs/dbraw/zinc/20/85/41/132208541.db2.gz ZVIAGIOBRDCWRQ-KRWDZBQOSA-N -1 0 357.410 2.047 50 0 FEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(N2CCCCC2=O)cc1 ZINC000096025619 132217069 /nfs/dbraw/zinc/21/70/69/132217069.db2.gz PUYIWQQSHPYJRH-UHFFFAOYSA-N -1 0 362.455 2.355 50 0 FEAARM Cc1cc(C)nc(N=C2NC(=O)C[C@H](C(=O)[O-])N2c2ccc(C)c(C)c2)n1 ZINC000000801845 132378554 /nfs/dbraw/zinc/37/85/54/132378554.db2.gz NBVXJMFETHPWHP-OAHLLOKOSA-N -1 0 367.409 2.368 50 0 FEAARM C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000003794622 132385783 /nfs/dbraw/zinc/38/57/83/132385783.db2.gz JYJTVFIEFKZWCJ-SNVBAGLBSA-N -1 0 360.385 2.307 50 0 world FEAARM CCn1nc(C(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)[O-])C2)cc1C ZINC000091351147 542805708 /nfs/dbraw/zinc/80/57/08/542805708.db2.gz MOPXEUJKISXEPH-JKSUJKDBSA-N -1 0 357.410 2.160 50 0 FEAARM CN(C)c1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cn1 ZINC000091552078 542812769 /nfs/dbraw/zinc/81/27/69/542812769.db2.gz IGKAOZDUIVAROV-JKSUJKDBSA-N -1 0 357.385 2.227 50 0 FEAARM Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)ccc1O ZINC000091713696 542821060 /nfs/dbraw/zinc/82/10/60/542821060.db2.gz IXFRCSQWELKNAC-CQSZACIVSA-N -1 0 374.437 2.019 50 0 FEAARM NC(=O)c1cccc(C[C@@H]2CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)c1 ZINC000092062005 542841825 /nfs/dbraw/zinc/84/18/25/542841825.db2.gz SXGPJLXLAWVRMK-AWEZNQCLSA-N -1 0 365.433 2.436 50 0 FEAARM Cc1oc(CN(C)C(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc1C(=O)[O-] ZINC000299750587 136122177 /nfs/dbraw/zinc/12/21/77/136122177.db2.gz NZVLMZREBARKEU-HNNXBMFYSA-N -1 0 356.378 2.395 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000095367474 542962338 /nfs/dbraw/zinc/96/23/38/542962338.db2.gz OIAPSUYDXVPPHV-ZDUSSCGKSA-N -1 0 365.817 2.269 50 0 FEAARM CCNC(=O)Nc1ccc([C@H](C(=O)[O-])N2CCSCC2)cc1OC ZINC000095372334 542962659 /nfs/dbraw/zinc/96/26/59/542962659.db2.gz ZIKBTIVKWLNYMT-CQSZACIVSA-N -1 0 353.444 2.011 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(F)c(Cl)c1)CC2 ZINC000095373835 542963765 /nfs/dbraw/zinc/96/37/65/542963765.db2.gz CYCZOJMDSMKDHN-GFCCVEGCSA-N -1 0 354.809 2.377 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000095361779 542960116 /nfs/dbraw/zinc/96/01/16/542960116.db2.gz OTYNZDMYTMXDET-ZDUSSCGKSA-N -1 0 365.817 2.269 50 0 FEAARM O=C([O-])[C@]12CN(C(=O)C(=O)c3ccccc3)C[C@H]1COc1ccccc1C2 ZINC000095511776 542978115 /nfs/dbraw/zinc/97/81/15/542978115.db2.gz MLUJJDVDQKVWSK-HRAATJIYSA-N -1 0 365.385 2.034 50 0 FEAARM O=S(=O)([N-]c1cncnc1-n1cccn1)c1ccccc1C(F)(F)F ZINC000095944071 542984074 /nfs/dbraw/zinc/98/40/74/542984074.db2.gz GOHCVENTDOUBBM-UHFFFAOYSA-N -1 0 369.328 2.482 50 0 FEAARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1nnn(-c2ccccc2)c1C1CC1 ZINC000095958734 542984797 /nfs/dbraw/zinc/98/47/97/542984797.db2.gz JLYGLEQFHVNABV-LBPRGKRZSA-N -1 0 362.455 2.250 50 0 FEAARM O=C([O-])c1nonc1CCCNC(=O)c1ccc([C@H]2CCCO2)s1 ZINC000095521372 542979743 /nfs/dbraw/zinc/97/97/43/542979743.db2.gz VGCDJGPHBFQGSF-SNVBAGLBSA-N -1 0 351.384 2.043 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000091997720 221824424 /nfs/dbraw/zinc/82/44/24/221824424.db2.gz DEBKGMIIORVEOA-UONOGXRCSA-N -1 0 360.797 2.277 50 0 FEAARM O=C([O-])[C@]12CN(C(=O)CCC(F)(F)F)C[C@H]1COc1ccccc1C2 ZINC000095379628 221882926 /nfs/dbraw/zinc/88/29/26/221882926.db2.gz DAZQASAMXCAIMM-BLLLJJGKSA-N -1 0 357.328 2.493 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000096147917 222049142 /nfs/dbraw/zinc/04/91/42/222049142.db2.gz AXXXQFBCBIPJBB-MRXNPFEDSA-N -1 0 374.828 2.315 50 0 FEAARM CO[C@@H]1CCCOC12CCN(C(=O)c1c(C)[nH]c(C(=O)[O-])c1C)CC2 ZINC000097568854 222193276 /nfs/dbraw/zinc/19/32/76/222193276.db2.gz AIEHQGZOCHOPDX-CYBMUJFWSA-N -1 0 350.415 2.130 50 0 FEAARM O=C([O-])Cn1nc(Cc2cccs2)nc1[C@@H]1CC(=O)Nc2ccccc21 ZINC000097654167 222203064 /nfs/dbraw/zinc/20/30/64/222203064.db2.gz YQHTYMYLFKOBFW-CYBMUJFWSA-N -1 0 368.418 2.489 50 0 FEAARM CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(=O)[O-])cc1 ZINC000100780227 222253015 /nfs/dbraw/zinc/25/30/15/222253015.db2.gz ORCNJKDZPXMATO-QGZVFWFLSA-N -1 0 364.361 2.380 50 0 FEAARM O=C1O[C@@H](c2c([O-])[nH]c(=O)n(-c3ccccc3Cl)c2=O)c2ccccc21 ZINC000101376237 222272982 /nfs/dbraw/zinc/27/29/82/222272982.db2.gz YQYBXCYUMXUXFO-CQSZACIVSA-N -1 0 370.748 2.145 50 0 FEAARM C[C@]1(C(=O)[O-])Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000102347283 222295456 /nfs/dbraw/zinc/29/54/56/222295456.db2.gz HBFIQUGMXPVEPU-SFHVURJKSA-N -1 0 352.325 2.294 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000136153007 222543726 /nfs/dbraw/zinc/54/37/26/222543726.db2.gz ZAIVLXZWIBFLOI-ROUUACIJSA-N -1 0 366.417 2.481 50 0 FEAARM CC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[C@@H]1CCCO1 ZINC000152488102 544660305 /nfs/dbraw/zinc/66/03/05/544660305.db2.gz TVZBABFUGJKDSW-ZFWWWQNUSA-N -1 0 361.467 2.149 50 0 FEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236934533 328498555 /nfs/dbraw/zinc/49/85/55/328498555.db2.gz QEJUORBDAOWAFO-AWEZNQCLSA-N -1 0 365.449 2.293 50 0 FEAARM O=C([O-])c1cc(NS(=O)(=O)C[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000265430745 329126373 /nfs/dbraw/zinc/12/63/73/329126373.db2.gz RNISOGPVNNMBRJ-LLVKDONJSA-N -1 0 353.318 2.324 50 0 FEAARM CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000000597112 521697302 /nfs/dbraw/zinc/69/73/02/521697302.db2.gz SPFYMRJSYKOXGV-UHFFFAOYSA-N -1 0 359.401 2.316 50 0 endogenous,investigational FEAARM COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc21 ZINC000262829346 522058616 /nfs/dbraw/zinc/05/86/16/522058616.db2.gz RWPIPBLTXVKGFY-MRXNPFEDSA-N -1 0 374.437 2.220 50 0 FEAARM Cc1cc(O)c2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1 ZINC000020412582 525324275 /nfs/dbraw/zinc/32/42/75/525324275.db2.gz WHCQSOWJJSADFA-UHFFFAOYSA-N -1 0 361.394 2.419 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000268950089 526292104 /nfs/dbraw/zinc/29/21/04/526292104.db2.gz PNNHHAGQPXJAIB-HNNXBMFYSA-N -1 0 367.361 2.300 50 0 FEAARM O=C([O-])COc1cccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000268912373 527619196 /nfs/dbraw/zinc/61/91/96/527619196.db2.gz YICWGMDCGXDMMJ-UHFFFAOYSA-N -1 0 368.389 2.207 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 ZINC000299751277 527624102 /nfs/dbraw/zinc/62/41/02/527624102.db2.gz QDUQVZWTOYSJSK-CZUORRHYSA-N -1 0 362.401 2.249 50 0 FEAARM CC(C)c1cc(C(=O)N2CCN(c3cccc(C(=O)[O-])c3)CC2)n(C)n1 ZINC000095524220 535352179 /nfs/dbraw/zinc/35/21/79/535352179.db2.gz YOUBGCRBRMSXTA-UHFFFAOYSA-N -1 0 356.426 2.204 50 0 FEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000156942310 545680416 /nfs/dbraw/zinc/68/04/16/545680416.db2.gz UGVFIEUNGVNWFS-CZUORRHYSA-N -1 0 373.478 2.149 50 0 FEAARM CC[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000170652273 546169037 /nfs/dbraw/zinc/16/90/37/546169037.db2.gz VHDGMCTYCOYDCO-LBPRGKRZSA-N -1 0 356.375 2.093 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000178258488 546764714 /nfs/dbraw/zinc/76/47/14/546764714.db2.gz IZGIPKZQJQQLKZ-MRVPVSSYSA-N -1 0 365.183 2.250 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000178258478 546764951 /nfs/dbraw/zinc/76/49/51/546764951.db2.gz IZGIPKZQJQQLKZ-QMMMGPOBSA-N -1 0 365.183 2.250 50 0 FEAARM O=C(NCCc1noc(C2CCCC2)n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215289586 548670079 /nfs/dbraw/zinc/67/00/79/548670079.db2.gz NFWXCGGVFKYZBO-UHFFFAOYSA-N -1 0 367.409 2.179 50 0 FEAARM Cc1nc(CN2CCN(Cc3ccccc3OCC(=O)[O-])CC2)cs1 ZINC000216093536 548676067 /nfs/dbraw/zinc/67/60/67/548676067.db2.gz PKIXHQBFQDHVCK-UHFFFAOYSA-N -1 0 361.467 2.233 50 0 FEAARM Cc1ccc(O)cc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000220185346 548699151 /nfs/dbraw/zinc/69/91/51/548699151.db2.gz XIQFICMRHHMPKW-QZTJIDSGSA-N -1 0 371.389 2.365 50 0 FEAARM Cc1nc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)oc1-c1ccccc1 ZINC000237624499 548839895 /nfs/dbraw/zinc/83/98/95/548839895.db2.gz ZUMQPBIHAZJJFW-OAHLLOKOSA-N -1 0 358.394 2.285 50 0 FEAARM Cc1cc(C)n(Cc2cccc(C(=O)N(CC(=O)[O-])C3CCOCC3)c2)n1 ZINC000237665518 548843315 /nfs/dbraw/zinc/84/33/15/548843315.db2.gz PQKBVGOSPQCLGC-UHFFFAOYSA-N -1 0 371.437 2.254 50 0 FEAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1-c1ccccc1Cl ZINC000237760411 548850873 /nfs/dbraw/zinc/85/08/73/548850873.db2.gz WGYOQHCLVFLVJG-LBPRGKRZSA-N -1 0 363.801 2.150 50 0 FEAARM Cc1cc(-n2cncn2)ccc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237805623 548854397 /nfs/dbraw/zinc/85/43/97/548854397.db2.gz WNHMOVXFXXPCHM-GOSISDBHSA-N -1 0 362.389 2.227 50 0 FEAARM O=C([O-])c1cc(C(=O)N2CCO[C@H](c3ccco3)C2)n(-c2ccccc2)n1 ZINC000237981369 548868873 /nfs/dbraw/zinc/86/88/73/548868873.db2.gz NXMWLNMDEORJMX-KRWDZBQOSA-N -1 0 367.361 2.377 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000238033158 548873619 /nfs/dbraw/zinc/87/36/19/548873619.db2.gz SOGADDZQUODUBA-NVXWUHKLSA-N -1 0 368.364 2.290 50 0 FEAARM O=C([O-])CN(C(=O)c1ccc(Br)c(F)c1)C1CCOCC1 ZINC000238108399 548878785 /nfs/dbraw/zinc/87/87/85/548878785.db2.gz KSGUECZBINORHI-UHFFFAOYSA-N -1 0 360.179 2.294 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCO1 ZINC000238131447 548879305 /nfs/dbraw/zinc/87/93/05/548879305.db2.gz XTYQGVKHWVJOGX-CYBMUJFWSA-N -1 0 370.192 2.105 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000238199243 548881285 /nfs/dbraw/zinc/88/12/85/548881285.db2.gz YZVJDKOCLWVMCN-KRWDZBQOSA-N -1 0 374.462 2.328 50 0 FEAARM CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000262811953 549852061 /nfs/dbraw/zinc/85/20/61/549852061.db2.gz BBXDAWPFNATIHL-LBPRGKRZSA-N -1 0 374.359 2.484 50 0 FEAARM Cc1c(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000262935190 549863911 /nfs/dbraw/zinc/86/39/11/549863911.db2.gz KGVPBYWWTQIDBY-LLVKDONJSA-N -1 0 356.304 2.020 50 0 FEAARM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3C)cc2CC1 ZINC000285240003 551725253 /nfs/dbraw/zinc/72/52/53/551725253.db2.gz NRXNLWYUALOOQU-UHFFFAOYSA-N -1 0 359.451 2.138 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1COc2ccccc21 ZINC000299744203 553609691 /nfs/dbraw/zinc/60/96/91/553609691.db2.gz NWIGJIBWUXHAEF-RDJZCZTQSA-N -1 0 350.374 2.456 50 0 FEAARM Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299743456 553609696 /nfs/dbraw/zinc/60/96/96/553609696.db2.gz NNQOUNRLRPTPBB-GFCCVEGCSA-N -1 0 370.434 2.401 50 0 FEAARM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299748625 553610258 /nfs/dbraw/zinc/61/02/58/553610258.db2.gz HTDFSKDORAWWLH-SWLSCSKDSA-N -1 0 372.343 2.158 50 0 FEAARM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299748737 553610298 /nfs/dbraw/zinc/61/02/98/553610298.db2.gz IAAYDQNSYRABAY-UGSOOPFHSA-N -1 0 370.405 2.156 50 0 FEAARM C[C@H]1Oc2c(cccc2C(=O)NCCc2ccc(C(=O)[O-])cc2)NC1=O ZINC000299748306 553610396 /nfs/dbraw/zinc/61/03/96/553610396.db2.gz GVGUKFMKBYBSBY-LLVKDONJSA-N -1 0 354.362 2.077 50 0 FEAARM CCc1ccccc1N1C[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000299746522 553610444 /nfs/dbraw/zinc/61/04/44/553610444.db2.gz XZEJMYJCYQISKF-PCKAHOCUSA-N -1 0 358.438 2.362 50 0 FEAARM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748735 553610550 /nfs/dbraw/zinc/61/05/50/553610550.db2.gz IAAYDQNSYRABAY-FZKQIMNGSA-N -1 0 370.405 2.156 50 0 FEAARM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CN=c1nc(C2CCCC2)[n-]s1 ZINC000333838302 554647924 /nfs/dbraw/zinc/64/79/24/554647924.db2.gz KQXZJPKJNIDRGC-OLZOCXBDSA-N -1 0 358.533 2.138 50 0 FEAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000432108280 559852142 /nfs/dbraw/zinc/85/21/42/559852142.db2.gz PEVHGCHVTLYGKU-LBPRGKRZSA-N -1 0 353.378 2.376 50 0 FEAARM Cc1cc2nc(CN(C)Cc3cnc(N(C)CC(=O)[O-])nc3)[nH]c2cc1C ZINC000534586964 562537525 /nfs/dbraw/zinc/53/75/25/562537525.db2.gz DBGBNWWDLWDJFB-UHFFFAOYSA-N -1 0 368.441 2.123 50 0 FEAARM Cn1c([O-])c(C2NC(=O)N=C2c2ccc3ccccc3c2)c(=O)n(C)c1=O ZINC000604418478 568276392 /nfs/dbraw/zinc/27/63/92/568276392.db2.gz WIWXARQMSUYHAF-UHFFFAOYSA-N -1 0 364.361 2.070 50 0 FEAARM O=C([O-])C1(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C2CC2)CCC1 ZINC000095425499 568387856 /nfs/dbraw/zinc/38/78/56/568387856.db2.gz BZTKXGHMBWTHMH-UHFFFAOYSA-N -1 0 358.373 2.269 50 0 FEAARM COc1cc(C(=O)[O-])ccc1-c1cccc(C(=O)N2CCNC(=O)[C@H]2C)c1 ZINC000584901952 570510673 /nfs/dbraw/zinc/51/06/73/570510673.db2.gz XLWQXQGLICBKOY-GFCCVEGCSA-N -1 0 368.389 2.021 50 0 FEAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000426399091 571219914 /nfs/dbraw/zinc/21/99/14/571219914.db2.gz VHAJNMYISNWHLJ-MRXNPFEDSA-N -1 0 369.421 2.337 50 0 FEAARM CCOc1ccc(CC(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)cc1 ZINC000426415670 571222353 /nfs/dbraw/zinc/22/23/53/571222353.db2.gz USPMMTZQIGBVNB-MRXNPFEDSA-N -1 0 371.437 2.315 50 0 FEAARM CCCc1cnc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1 ZINC000183199030 672462522 /nfs/dbraw/zinc/46/25/22/672462522.db2.gz ZXOVHBXLQDNDID-UHFFFAOYSA-N -1 0 368.484 2.461 50 0 FEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000191647619 672672145 /nfs/dbraw/zinc/67/21/45/672672145.db2.gz UITBYLDTKMMLQT-OAHLLOKOSA-N -1 0 352.818 2.231 50 0 FEAARM O=C([O-])C1(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000567987489 675341314 /nfs/dbraw/zinc/34/13/14/675341314.db2.gz DJLKDZUWJRLNJP-JTQLQIEISA-N -1 0 358.316 2.145 50 0 FEAARM CCn1nc(C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000653666833 677542886 /nfs/dbraw/zinc/54/28/86/677542886.db2.gz IIMUPBDGZCLOTH-AWEZNQCLSA-N -1 0 351.790 2.429 50 0 FEAARM O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000888092851 688545267 /nfs/dbraw/zinc/54/52/67/688545267.db2.gz KQLWASZHYREPJP-ZCFIWIBFSA-N -1 0 371.768 2.033 50 0 FEAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 ZINC000000687772 210262561 /nfs/dbraw/zinc/26/25/61/210262561.db2.gz YMABZQODSOAVET-UHFFFAOYSA-N -1 0 372.493 2.333 50 0 FEAARM CN(C)S(=O)(=O)c1cccc(CSc2nc(CC(=O)[O-])cs2)c1 ZINC000012890772 210234317 /nfs/dbraw/zinc/23/43/17/210234317.db2.gz ASUWIAUFCRTUGV-UHFFFAOYSA-N -1 0 372.493 2.313 50 0 FEAARM CC(C)(C)OC(=O)N[C@@H](CSCNC(=O)c1ccccc1)C(=O)[O-] ZINC000001869210 539344002 /nfs/dbraw/zinc/34/40/02/539344002.db2.gz IXDAEBLENDHMQG-LBPRGKRZSA-N -1 0 354.428 2.085 50 0 FEAARM CCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002119771 539344928 /nfs/dbraw/zinc/34/49/28/539344928.db2.gz YAROIDGLTJEGGQ-UHFFFAOYSA-N -1 0 359.378 2.057 50 0 biogenic FEAARM CCC[C@@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002154825 539345775 /nfs/dbraw/zinc/34/57/75/539345775.db2.gz RVKHMPRQGMIINT-CQSZACIVSA-N -1 0 361.394 2.418 50 0 biogenic FEAARM Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)cn1 ZINC000002804309 539354017 /nfs/dbraw/zinc/35/40/17/539354017.db2.gz CPYNATDGIKNOQR-UHFFFAOYSA-N -1 0 369.809 2.258 50 0 FEAARM CCCCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)[O-])cc1 ZINC000004023582 539375331 /nfs/dbraw/zinc/37/53/31/539375331.db2.gz YOPJWEHYUXRVBZ-UHFFFAOYSA-N -1 0 364.442 2.357 50 0 biogenic FEAARM COc1cccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1OC ZINC000004550167 539387578 /nfs/dbraw/zinc/38/75/78/539387578.db2.gz XYMCWMSDYANSGB-AWEZNQCLSA-N -1 0 367.409 2.490 50 0 FEAARM COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004980060 539397428 /nfs/dbraw/zinc/39/74/28/539397428.db2.gz VBZKTKSXUUPPES-KRWDZBQOSA-N -1 0 374.418 2.151 50 0 FEAARM C[S@](=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005360354 539409649 /nfs/dbraw/zinc/40/96/49/539409649.db2.gz MDEZTJYZPLBVRB-LADRHHBVSA-N -1 0 353.227 2.337 50 0 FEAARM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000005601990 539413949 /nfs/dbraw/zinc/41/39/49/539413949.db2.gz JCDHEGYNOZRHBK-UHFFFAOYSA-N -1 0 374.871 2.391 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/C(=O)[O-])cc2)cc1 ZINC000006144452 539423038 /nfs/dbraw/zinc/42/30/38/539423038.db2.gz VZHMJEMUGJULJE-ZHACJKMWSA-N -1 0 360.391 2.375 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)c1 ZINC000006706466 539435036 /nfs/dbraw/zinc/43/50/36/539435036.db2.gz JROJAMDHKMPQEL-UHFFFAOYSA-N -1 0 364.423 2.487 50 0 FEAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)o2)n[nH]1 ZINC000006974052 539442764 /nfs/dbraw/zinc/44/27/64/539442764.db2.gz JETCNIMXXXWJAR-UHFFFAOYSA-N -1 0 351.771 2.484 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007230186 539451185 /nfs/dbraw/zinc/45/11/85/539451185.db2.gz BGRBCMNKGNFUTF-UHFFFAOYSA-N -1 0 355.393 2.107 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000007323686 539455276 /nfs/dbraw/zinc/45/52/76/539455276.db2.gz MAKABHANZJMMEV-UHFFFAOYSA-N -1 0 355.393 2.122 50 0 FEAARM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000008110969 539477248 /nfs/dbraw/zinc/47/72/48/539477248.db2.gz JSRWFLPOPFMPPU-UHFFFAOYSA-N -1 0 360.844 2.097 50 0 FEAARM Cc1ccc(C)c(-n2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4ccccc43)c2=O)c1 ZINC000009045173 539496643 /nfs/dbraw/zinc/49/66/43/539496643.db2.gz OWQZPBVMLDNBTH-MRXNPFEDSA-N -1 0 364.357 2.108 50 0 FEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cccc(Cl)c1N ZINC000008984720 539495980 /nfs/dbraw/zinc/49/59/80/539495980.db2.gz ORGZMOXVXMWXTP-UHFFFAOYSA-N -1 0 362.769 2.044 50 0 FEAARM CCOC(=O)c1ccc2nc(NC(=O)CSCC(=O)[O-])sc2c1 ZINC000009193615 539498859 /nfs/dbraw/zinc/49/88/59/539498859.db2.gz RCMSMPAUGJDOFL-UHFFFAOYSA-N -1 0 354.409 2.229 50 0 FEAARM C/C(NN1CCCCC1)=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009358177 539501551 /nfs/dbraw/zinc/50/15/51/539501551.db2.gz HNQKIXJWXGWQKF-SDNWHVSQSA-N -1 0 362.817 2.187 50 0 FEAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000009295600 539500574 /nfs/dbraw/zinc/50/05/74/539500574.db2.gz WNFXGQLQAJXBMH-MHWRWJLKSA-N -1 0 352.346 2.243 50 0 FEAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000009909948 539509477 /nfs/dbraw/zinc/50/94/77/539509477.db2.gz ZBANYPCKPVBDOP-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM CCOc1c(Cl)cc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000328594825 210110569 /nfs/dbraw/zinc/11/05/69/210110569.db2.gz CIHHFPWARQBZLK-ISZGNANSSA-N -1 0 369.801 2.073 50 0 FEAARM COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000328595102 210110491 /nfs/dbraw/zinc/11/04/91/210110491.db2.gz KWLMFWOAZVUYPW-HNNXBMFYSA-N -1 0 364.785 2.065 50 0 FEAARM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000011906614 539538471 /nfs/dbraw/zinc/53/84/71/539538471.db2.gz MESMMHKVYCHOSN-UHFFFAOYSA-N -1 0 360.391 2.149 50 0 FEAARM C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1nncn1C1CCCC1 ZINC000299801193 210040719 /nfs/dbraw/zinc/04/07/19/210040719.db2.gz VUOMONNPVBPZTQ-ZDUSSCGKSA-N -1 0 366.425 2.363 50 0 FEAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012536042 539563527 /nfs/dbraw/zinc/56/35/27/539563527.db2.gz GGAZVEIAFUFMQS-UHFFFAOYSA-N -1 0 374.418 2.151 50 0 FEAARM CO[C@]12CCN(C(=O)/C=C/c3ccccc3)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299786968 210029637 /nfs/dbraw/zinc/02/96/37/210029637.db2.gz OMLXUBNEZPNYRW-TXGMUJQVSA-N -1 0 359.422 2.340 50 0 FEAARM O=C([O-])C1(NC(=O)CNC(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000299786989 210029451 /nfs/dbraw/zinc/02/94/51/210029451.db2.gz UWPMQOZMIKGLOC-UHFFFAOYSA-N -1 0 359.209 2.237 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000013427856 539587056 /nfs/dbraw/zinc/58/70/56/539587056.db2.gz ULICMCRRMMUDHP-OAHLLOKOSA-N -1 0 368.389 2.134 50 0 FEAARM COC1CCN(c2cnn(-c3ccc(C(=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000013462551 539587682 /nfs/dbraw/zinc/58/76/82/539587682.db2.gz HLONMGODCVYQLR-UHFFFAOYSA-N -1 0 363.801 2.199 50 0 FEAARM CC(=O)N1CCc2cc(C(=O)N3C[C@@H](C(=O)[O-])Oc4ccccc43)ccc21 ZINC000013436883 539587012 /nfs/dbraw/zinc/58/70/12/539587012.db2.gz KGWNLWNWXBNFKJ-SFHVURJKSA-N -1 0 366.373 2.088 50 0 FEAARM COc1ccc(N2C(=O)C[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000025541218 539762101 /nfs/dbraw/zinc/76/21/01/539762101.db2.gz WMNDFZNLCRKQCM-AWEZNQCLSA-N -1 0 370.361 2.146 50 0 FEAARM Cc1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)c1 ZINC000032080988 539928133 /nfs/dbraw/zinc/92/81/33/539928133.db2.gz KGGPBEVNUPQNII-CYBMUJFWSA-N -1 0 374.418 2.233 50 0 FEAARM COc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)CC3CC3)c(C)o2)cc1 ZINC000225400654 222838321 /nfs/dbraw/zinc/83/83/21/222838321.db2.gz ALPZDYSRVZOFBT-UHFFFAOYSA-N -1 0 350.396 2.128 50 0 FEAARM COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)[O-])cc1)c2=O ZINC000032959213 539960963 /nfs/dbraw/zinc/96/09/63/539960963.db2.gz PXXFPKKWSQGIDD-UHFFFAOYSA-N -1 0 370.386 2.088 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1OC ZINC000033114674 539968993 /nfs/dbraw/zinc/96/89/93/539968993.db2.gz RLVLZMDTZZSDQC-HZPDHXFCSA-N -1 0 352.350 2.202 50 0 FEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237659482 222909751 /nfs/dbraw/zinc/90/97/51/222909751.db2.gz NEBIMQKBXFHDQB-PBHICJAKSA-N -1 0 370.405 2.269 50 0 FEAARM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000247316640 222946906 /nfs/dbraw/zinc/94/69/06/222946906.db2.gz RWQNZVXZDOHCQZ-SUMWQHHRSA-N -1 0 370.405 2.156 50 0 FEAARM COc1ccc(S(=O)(=O)N(C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000057120533 540770057 /nfs/dbraw/zinc/77/00/57/540770057.db2.gz XYVWOLBNFUEGLR-UHFFFAOYSA-N -1 0 357.334 2.497 50 0 FEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccn3nc(C4CC4)nc23)cc1 ZINC000065284006 541232993 /nfs/dbraw/zinc/23/29/93/541232993.db2.gz VHZCGZTWLDPYDH-UHFFFAOYSA-N -1 0 371.422 2.366 50 0 FEAARM Cc1cnc2c(C(=O)N3CC[C@H](c4ccccc4C(=O)[O-])C3)cnn2c1 ZINC000072155908 541790815 /nfs/dbraw/zinc/79/08/15/541790815.db2.gz CLQDRMILOKVFKC-ZDUSSCGKSA-N -1 0 350.378 2.366 50 0 FEAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)Cc3cccnc3)CC2)c1 ZINC000072419170 541807798 /nfs/dbraw/zinc/80/77/98/541807798.db2.gz RVLWEHMLVPBNSM-UHFFFAOYSA-N -1 0 354.406 2.457 50 0 FEAARM CCCO[C@@H](C)C(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072425012 541811266 /nfs/dbraw/zinc/81/12/66/541811266.db2.gz SUEDYUPPLSWOAH-ZDUSSCGKSA-N -1 0 353.390 2.465 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 ZINC000072473551 541818414 /nfs/dbraw/zinc/81/84/14/541818414.db2.gz GLYUCIJEWVBJLW-HNNXBMFYSA-N -1 0 357.410 2.277 50 0 FEAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ccc(-n2cccn2)cc1Cl ZINC000072473825 541818952 /nfs/dbraw/zinc/81/89/52/541818952.db2.gz AMGTZZCOXQJLLC-OAHLLOKOSA-N -1 0 371.784 2.073 50 0 FEAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)cc1 ZINC000072453817 541815917 /nfs/dbraw/zinc/81/59/17/541815917.db2.gz QUBUIIHGLWCVFP-CQSZACIVSA-N -1 0 350.378 2.132 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2ccc3scnc3c2)CC1 ZINC000072481658 541822325 /nfs/dbraw/zinc/82/23/25/541822325.db2.gz DUULDNQOZOPDOG-UHFFFAOYSA-N -1 0 356.407 2.209 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000013252489 220062339 /nfs/dbraw/zinc/06/23/39/220062339.db2.gz XMFWKARFMOSRDZ-UHFFFAOYSA-N -1 0 357.391 2.049 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 ZINC000299751275 211833789 /nfs/dbraw/zinc/83/37/89/211833789.db2.gz QDUQVZWTOYSJSK-BBRMVZONSA-N -1 0 362.401 2.249 50 0 FEAARM O=C([O-])COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000299750777 211832842 /nfs/dbraw/zinc/83/28/42/211832842.db2.gz OIWWJLNHBCHJHT-UHFFFAOYSA-N -1 0 372.402 2.124 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000299750164 211831351 /nfs/dbraw/zinc/83/13/51/211831351.db2.gz MQYNMVAAWNADQT-IMJJTQAJSA-N -1 0 370.405 2.348 50 0 FEAARM O=C(/C=C/c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268567 211778242 /nfs/dbraw/zinc/77/82/42/211778242.db2.gz LXMWPLHMWBTECU-FPYGCLRLSA-N -1 0 363.366 2.115 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000299336331 211770907 /nfs/dbraw/zinc/77/09/07/211770907.db2.gz FJEDOOSPFPUFNO-RCBQFDQVSA-N -1 0 365.451 2.256 50 0 FEAARM O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000017076055 220205289 /nfs/dbraw/zinc/20/52/89/220205289.db2.gz TZYPACWBDZYELJ-MDZDMXLPSA-N -1 0 371.320 2.445 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)C=Cc1ccccc1 ZINC000024749573 211412004 /nfs/dbraw/zinc/41/20/04/211412004.db2.gz HVHBKIXJIXUBAP-CSKARUKUSA-N -1 0 361.448 2.417 50 0 FEAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000019880978 211259568 /nfs/dbraw/zinc/25/95/68/211259568.db2.gz DPGGPOUPXYXYCW-CQSZACIVSA-N -1 0 356.403 2.242 50 0 FEAARM O=S(=O)([N-]NC(=S)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000017073551 211177538 /nfs/dbraw/zinc/17/75/38/211177538.db2.gz CJJMSLJPXMCTMH-UHFFFAOYSA-N -1 0 355.872 2.198 50 0 FEAARM NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000015952032 211151172 /nfs/dbraw/zinc/15/11/72/211151172.db2.gz GYEFQTRTZGYXHI-UHFFFAOYSA-N -1 0 350.450 2.082 50 0 FEAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000013195849 211027727 /nfs/dbraw/zinc/02/77/27/211027727.db2.gz UXYUFMGJYAQTHW-MRXNPFEDSA-N -1 0 374.418 2.066 50 0 FEAARM CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)CCC(=O)[O-])s1 ZINC000006741024 210695286 /nfs/dbraw/zinc/69/52/86/210695286.db2.gz CKPYHIAPDMVDIG-UHFFFAOYSA-N -1 0 354.428 2.147 50 0 FEAARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000002301011 210390572 /nfs/dbraw/zinc/39/05/72/210390572.db2.gz SGWVUTPHVHWJJX-UHFFFAOYSA-N -1 0 352.334 2.183 50 0 FEAARM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002244307 210387401 /nfs/dbraw/zinc/38/74/01/210387401.db2.gz ONDKXCQPYFHZPA-CYBMUJFWSA-N -1 0 352.387 2.281 50 0 FEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000002386683 210394899 /nfs/dbraw/zinc/39/48/99/210394899.db2.gz DCFDOKBNIXUWKP-HNNXBMFYSA-N -1 0 350.415 2.374 50 0 FEAARM NC(=O)C[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386808 210394792 /nfs/dbraw/zinc/39/47/92/210394792.db2.gz ANJWRJHJFIBTBO-LBPRGKRZSA-N -1 0 368.389 2.244 50 0 FEAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)[O-])oc1c3CCCC1 ZINC000002157837 210381405 /nfs/dbraw/zinc/38/14/05/210381405.db2.gz UOBHIOWKLLBQGW-UHFFFAOYSA-N -1 0 369.373 2.470 50 0 biogenic FEAARM Cc1ccc2c(c1)[C@H]1c3sc(=O)[nH]c3SC[C@]1(CC(=O)[O-])C(=O)O2 ZINC000001431698 210352852 /nfs/dbraw/zinc/35/28/52/210352852.db2.gz FDEASXJZLIXELR-ZBEGNZNMSA-N -1 0 363.416 2.363 50 0 FEAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000952696 210295243 /nfs/dbraw/zinc/29/52/43/210295243.db2.gz LFRLEBFHLCJPDU-KRWDZBQOSA-N -1 0 358.419 2.451 50 0 biogenic FEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000021534076 220360056 /nfs/dbraw/zinc/36/00/56/220360056.db2.gz GGHLLMHWHJDWQZ-UHFFFAOYSA-N -1 0 363.317 2.406 50 0 FEAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cn21 ZINC000065247248 221187411 /nfs/dbraw/zinc/18/74/11/221187411.db2.gz NYECIHDYDGCRQD-UHFFFAOYSA-N -1 0 366.830 2.050 50 0 FEAARM O=C(NCCc1cc(F)cc(F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000065515261 221229364 /nfs/dbraw/zinc/22/93/64/221229364.db2.gz KCGZNLTZWSEJPT-UHFFFAOYSA-N -1 0 361.373 2.463 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1c[nH]nc1-c1ccc(C)cc1)CC(=O)N2 ZINC000067472962 221255857 /nfs/dbraw/zinc/25/58/57/221255857.db2.gz ZEDBPAWUYLRKOV-ZDUSSCGKSA-N -1 0 365.393 2.449 50 0 FEAARM CC1(C)C[C@H](C(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)CCO1 ZINC000067675104 221269586 /nfs/dbraw/zinc/26/95/86/221269586.db2.gz VCWGYXPBUBTOIX-CYBMUJFWSA-N -1 0 361.442 2.081 50 0 FEAARM COc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c2ccccc2n1 ZINC000067675854 221269915 /nfs/dbraw/zinc/26/99/15/221269915.db2.gz KRXSTSYSVKMCKQ-INIZCTEOSA-N -1 0 354.366 2.139 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCCO2)c(C)c1 ZINC000069343172 221324201 /nfs/dbraw/zinc/32/42/01/221324201.db2.gz YAEHVMJHRDFKLS-LSDHHAIUSA-N -1 0 355.456 2.083 50 0 FEAARM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCN(c3ccccc3O)CC2)c1 ZINC000095371339 132208656 /nfs/dbraw/zinc/20/86/56/132208656.db2.gz GTQMKIKGQMFOQE-LJQANCHMSA-N -1 0 372.421 2.357 50 0 FEAARM COc1cccc(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)c1 ZINC000091563189 542812698 /nfs/dbraw/zinc/81/26/98/542812698.db2.gz WVMIKPMLPABNIS-AWEZNQCLSA-N -1 0 374.437 2.013 50 0 FEAARM Cc1cccc2oc(CNC(=O)c3ccc(N4CC(=O)N=C4[O-])cc3)nc21 ZINC000091585704 542813446 /nfs/dbraw/zinc/81/34/46/542813446.db2.gz PADGLWWRLBAJPC-UHFFFAOYSA-N -1 0 364.361 2.122 50 0 FEAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 ZINC000091997785 542835397 /nfs/dbraw/zinc/83/53/97/542835397.db2.gz LPWUNYCDYMGVPQ-GOSISDBHSA-N -1 0 353.390 2.194 50 0 FEAARM O=C([O-])c1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1 ZINC000299752749 136122170 /nfs/dbraw/zinc/12/21/70/136122170.db2.gz VHSYGYATOROVIT-UHFFFAOYSA-N -1 0 370.430 2.182 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1ncnc3c(C)csc31)CC2 ZINC000072134755 136142420 /nfs/dbraw/zinc/14/24/20/136142420.db2.gz NMCHBCNDJZFMQM-ZDUSSCGKSA-N -1 0 374.466 2.292 50 0 FEAARM COc1ccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)c(OC)c1OC ZINC000095117708 542957209 /nfs/dbraw/zinc/95/72/09/542957209.db2.gz CWVUNHBUIYIDFY-SECBINFHSA-N -1 0 373.361 2.012 50 0 FEAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000095349580 542957745 /nfs/dbraw/zinc/95/77/45/542957745.db2.gz ISPSADXAEWNFEC-ZBFHGGJFSA-N -1 0 358.438 2.500 50 0 FEAARM Cc1nn(C)cc1NC(=O)CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095389179 542967243 /nfs/dbraw/zinc/96/72/43/542967243.db2.gz VXODLMAVUZPMHA-MRXNPFEDSA-N -1 0 356.426 2.245 50 0 FEAARM COc1cccc(OC)c1CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000095464025 542972014 /nfs/dbraw/zinc/97/20/14/542972014.db2.gz XDUWTXYDPHCPPJ-QGZVFWFLSA-N -1 0 365.332 2.467 50 0 FEAARM C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nnn[n-]1 ZINC000095942098 542983655 /nfs/dbraw/zinc/98/36/55/542983655.db2.gz FEKLGIOLWKCLOO-JTQLQIEISA-N -1 0 356.411 2.047 50 0 FEAARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(OCc2nccn2C)cc1 ZINC000095958732 542984750 /nfs/dbraw/zinc/98/47/50/542984750.db2.gz SVWOJKWYWBGYQK-ZDUSSCGKSA-N -1 0 365.455 2.105 50 0 FEAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1)C1CCCCCC1 ZINC000095523840 542979906 /nfs/dbraw/zinc/97/99/06/542979906.db2.gz JRLYPEWAOWSIOL-INIZCTEOSA-N -1 0 373.453 2.066 50 0 FEAARM Cc1cc(=O)n2nc(CN(C(=O)CC(C)C)c3ccc(F)cc3)[n-]c2n1 ZINC000096319228 542998021 /nfs/dbraw/zinc/99/80/21/542998021.db2.gz WGTJLOVJWHJZNQ-UHFFFAOYSA-N -1 0 357.389 2.444 50 0 FEAARM Cc1nc(=O)[nH]c(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000092098936 221839557 /nfs/dbraw/zinc/83/95/57/221839557.db2.gz CISRJHNKHYROSA-DLBZAZTESA-N -1 0 369.421 2.058 50 0 FEAARM Cc1ccc(CN2CCN([C@H](C(=O)[O-])c3ccc(O)cc3)CC2=O)cc1 ZINC000095391785 221896741 /nfs/dbraw/zinc/89/67/41/221896741.db2.gz GOQJMLWSUDGHEW-IBGZPJMESA-N -1 0 354.406 2.171 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000096286259 222111234 /nfs/dbraw/zinc/11/12/34/222111234.db2.gz IJMJLSVLKVKYIO-HZPDHXFCSA-N -1 0 372.331 2.467 50 0 FEAARM Cc1cc(C(F)(F)F)n(-c2nc(-c3nc(C)nn3CC(=O)[O-])cs2)n1 ZINC000097759182 222211956 /nfs/dbraw/zinc/21/19/56/222211956.db2.gz NJBKLPRZMIHWFV-UHFFFAOYSA-N -1 0 372.332 2.308 50 0 FEAARM O=C(/C=C\c1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000098054804 222222368 /nfs/dbraw/zinc/22/23/68/222222368.db2.gz LXMWPLHMWBTECU-BAQGIRSFSA-N -1 0 363.366 2.115 50 0 FEAARM COc1cccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000098055541 222223496 /nfs/dbraw/zinc/22/34/96/222223496.db2.gz VDNFNNFESPWWDN-VURMDHGXSA-N -1 0 366.826 2.403 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1 ZINC000101417942 222274307 /nfs/dbraw/zinc/27/43/07/222274307.db2.gz GGLUTAQHHQEGLD-DLBZAZTESA-N -1 0 350.378 2.497 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)N(C)Cc3cscn3)cc2[n-]c1=S ZINC000102773829 222307758 /nfs/dbraw/zinc/30/77/58/222307758.db2.gz VUYRZJZHDSFYEZ-UHFFFAOYSA-N -1 0 360.464 2.434 50 0 FEAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3cncc(F)c3)cc(Cl)c2O1 ZINC000152259838 544631547 /nfs/dbraw/zinc/63/15/47/544631547.db2.gz XJAXZRYCZIAHTC-MRVPVSSYSA-N -1 0 370.789 2.316 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000236683908 328491728 /nfs/dbraw/zinc/49/17/28/328491728.db2.gz UMLVEKNPCUAASZ-HNNXBMFYSA-N -1 0 352.818 2.231 50 0 FEAARM CCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1OC ZINC000262834337 328893275 /nfs/dbraw/zinc/89/32/75/328893275.db2.gz SKQKDZKAXBYDCP-LBPRGKRZSA-N -1 0 371.817 2.453 50 0 FEAARM CC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262956989 328903372 /nfs/dbraw/zinc/90/33/72/328903372.db2.gz JQZWNEIDVNQIRM-ZDUSSCGKSA-N -1 0 372.215 2.162 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236689124 519683106 /nfs/dbraw/zinc/68/31/06/519683106.db2.gz PLVQIDKHHINALD-YOEHRIQHSA-N -1 0 352.818 2.231 50 0 FEAARM CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000262383578 519788757 /nfs/dbraw/zinc/78/87/57/519788757.db2.gz DGTINMBTGROKBF-ZFWWWQNUSA-N -1 0 359.488 2.082 50 0 FEAARM CCOc1ccccc1N1C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000268942183 521519800 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0 368.437 2.363 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000268966125 526288060 /nfs/dbraw/zinc/28/80/60/526288060.db2.gz CQQAPYMROFWIOU-LBPRGKRZSA-N -1 0 352.799 2.389 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CCO1 ZINC000269032923 527630350 /nfs/dbraw/zinc/63/03/50/527630350.db2.gz NLJCAZOIWHOWPE-BTDICHCPSA-N -1 0 359.300 2.301 50 0 FEAARM CC(C)c1cc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)[O-])cs1 ZINC000071682056 535352729 /nfs/dbraw/zinc/35/27/29/535352729.db2.gz KLKFSMYPADPHRS-ZDUSSCGKSA-N -1 0 360.439 2.077 50 0 FEAARM CCN(CC)C(=O)CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1 ZINC000002500270 535438716 /nfs/dbraw/zinc/43/87/16/535438716.db2.gz RTNZGXYWYRNAPD-UHFFFAOYSA-N -1 0 351.403 2.047 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155808074 545571901 /nfs/dbraw/zinc/57/19/01/545571901.db2.gz NEMJUNTZXNTOTF-OLZOCXBDSA-N -1 0 371.220 2.422 50 0 FEAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])CC2 ZINC000159769823 545979618 /nfs/dbraw/zinc/97/96/18/545979618.db2.gz DIQWQAWMKMXYLI-ZWNOBZJWSA-N -1 0 371.359 2.374 50 0 FEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000170639093 546167923 /nfs/dbraw/zinc/16/79/23/546167923.db2.gz WAHFTEMUBYVUBI-OKILXGFUSA-N -1 0 355.463 2.500 50 0 FEAARM CCO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C12CCC2 ZINC000173360988 546279800 /nfs/dbraw/zinc/27/98/00/546279800.db2.gz WMNKAEVOZDRLDK-KGLIPLIRSA-N -1 0 359.451 2.289 50 0 FEAARM O=S(=O)([N-]c1ccccc1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000186900545 548215945 /nfs/dbraw/zinc/21/59/45/548215945.db2.gz QRZHLFPNFFBNTD-UHFFFAOYSA-N -1 0 366.464 2.272 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236719933 548776011 /nfs/dbraw/zinc/77/60/11/548776011.db2.gz PLVQIDKHHINALD-PBHICJAKSA-N -1 0 352.818 2.231 50 0 FEAARM CCCc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1Cc1ccccc1 ZINC000236887741 548785524 /nfs/dbraw/zinc/78/55/24/548785524.db2.gz 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355.438 2.386 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000225403633 548733605 /nfs/dbraw/zinc/73/36/05/548733605.db2.gz VPZRNPIZIPYTEK-ZDUSSCGKSA-N -1 0 363.391 2.081 50 0 FEAARM CC(=O)N1CCC(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)CC1 ZINC000236832049 548782790 /nfs/dbraw/zinc/78/27/90/548782790.db2.gz DAFSGTPAYQBHLB-UHFFFAOYSA-N -1 0 368.380 2.027 50 0 FEAARM COc1ccc(Br)cc1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237114451 548800914 /nfs/dbraw/zinc/80/09/14/548800914.db2.gz JXZGJOYIYZBLII-OAHLLOKOSA-N -1 0 356.216 2.323 50 0 FEAARM COc1ccc(Br)c(CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237324284 548818567 /nfs/dbraw/zinc/81/85/67/548818567.db2.gz IXGDDMZPMMRYBM-UHFFFAOYSA-N -1 0 356.216 2.323 50 0 FEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000237388179 548823252 /nfs/dbraw/zinc/82/32/52/548823252.db2.gz OSRRRTCAKQWDTA-LJQANCHMSA-N -1 0 357.410 2.367 50 0 FEAARM Cc1ccc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000237702744 548845893 /nfs/dbraw/zinc/84/58/93/548845893.db2.gz DJYDRAGWPVDHKQ-LLVKDONJSA-N -1 0 356.216 2.460 50 0 FEAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000237744979 548849320 /nfs/dbraw/zinc/84/93/20/548849320.db2.gz OMRIUHWXXSTKPY-UHFFFAOYSA-N -1 0 359.401 2.494 50 0 FEAARM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1-n1cncn1 ZINC000237857825 548858762 /nfs/dbraw/zinc/85/87/62/548858762.db2.gz SUHMFEGSSNNYEE-JQFCIGGWSA-N -1 0 354.410 2.434 50 0 FEAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1-n1cncn1 ZINC000237856244 548858915 /nfs/dbraw/zinc/85/89/15/548858915.db2.gz RFZJLZXPNHYCIO-SFHVURJKSA-N -1 0 362.389 2.227 50 0 FEAARM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000252492529 549668691 /nfs/dbraw/zinc/66/86/91/549668691.db2.gz MONGRTUUEPQDMC-UHFFFAOYSA-N -1 0 352.387 2.385 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000262869406 549857803 /nfs/dbraw/zinc/85/78/03/549857803.db2.gz JKOIHHQEFONBGH-QWHCGFSZSA-N -1 0 367.327 2.229 50 0 FEAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)CO2 ZINC000263557904 549909097 /nfs/dbraw/zinc/90/90/97/549909097.db2.gz ZSIQTEVSTVVRHJ-DOTOQJQBSA-N -1 0 355.390 2.231 50 0 FEAARM C[C@H]1Oc2c(cccc2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])NC1=O ZINC000268888233 550127589 /nfs/dbraw/zinc/12/75/89/550127589.db2.gz DCPXQVKKSMLHBI-BDJLRTHQSA-N -1 0 366.373 2.058 50 0 FEAARM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(s1)CCc1ccccc1-2 ZINC000285177782 551716238 /nfs/dbraw/zinc/71/62/38/551716238.db2.gz KFLMNRMIWSXQHN-JTQLQIEISA-N -1 0 365.480 2.127 50 0 FEAARM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(s1)CCc1ccccc1-2 ZINC000285177788 551716318 /nfs/dbraw/zinc/71/63/18/551716318.db2.gz KFLMNRMIWSXQHN-SNVBAGLBSA-N -1 0 365.480 2.127 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)CN2C(=O)CCc3ccccc32)c2ccccc21 ZINC000653330484 568097392 /nfs/dbraw/zinc/09/73/92/568097392.db2.gz GDBSLEGKCSIKJK-IAGOWNOFSA-N -1 0 364.401 2.395 50 0 FEAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)c1 ZINC000426477554 570607228 /nfs/dbraw/zinc/60/72/28/570607228.db2.gz KXUJTXRACXGIBU-UHFFFAOYSA-N -1 0 364.467 2.047 50 0 FEAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000113699418 570965733 /nfs/dbraw/zinc/96/57/33/570965733.db2.gz STEFCNLLIJDVNI-VIFPVBQESA-N -1 0 372.443 2.352 50 0 FEAARM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000115921351 571094859 /nfs/dbraw/zinc/09/48/59/571094859.db2.gz PWVBIHCHYYHBQG-ZETCQYMHSA-N -1 0 370.814 2.387 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c(Br)o1 ZINC000123678256 571189297 /nfs/dbraw/zinc/18/92/97/571189297.db2.gz SIPZKTFMOKYLLS-YUMQZZPRSA-N -1 0 364.217 2.161 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CCO1 ZINC000669503372 598209331 /nfs/dbraw/zinc/20/93/31/598209331.db2.gz FEJHUCFDQAGRAP-CHWSQXEVSA-N -1 0 360.332 2.045 50 0 FEAARM O=C([O-])CCN(C(=O)c1cc(=O)[nH]c2cc(F)ccc21)C1CCOCC1 ZINC000577682421 600964201 /nfs/dbraw/zinc/96/42/01/600964201.db2.gz RSFWEGBCKJWKGJ-UHFFFAOYSA-N -1 0 362.357 2.175 50 0 FEAARM COc1ccccc1-c1nc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cs1 ZINC000584908076 601671472 /nfs/dbraw/zinc/67/14/72/601671472.db2.gz QGSCAXPTAZPSQJ-LLVKDONJSA-N -1 0 362.407 2.134 50 0 FEAARM C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002022057 539343968 /nfs/dbraw/zinc/34/39/68/539343968.db2.gz BVNXQVWGWUHKMK-YOEHRIQHSA-N -1 0 370.405 2.113 50 0 FEAARM Cc1cc(OCC(=O)N2CCC[C@H]2C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002102690 539344993 /nfs/dbraw/zinc/34/49/93/539344993.db2.gz QHINZRLGOWBIBL-ZDUSSCGKSA-N -1 0 359.378 2.173 50 0 FEAARM COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000002140893 539345520 /nfs/dbraw/zinc/34/55/20/539345520.db2.gz DWBXFJJEZOPKBS-UHFFFAOYSA-N -1 0 362.451 2.480 50 0 FEAARM CCn1c(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002144999 539345834 /nfs/dbraw/zinc/34/58/34/539345834.db2.gz IQROFDNPECNEHP-LLVKDONJSA-N -1 0 364.379 2.321 50 0 biogenic FEAARM Cn1cc(S(=O)(=O)[N-]c2ccn(Cc3cccc(Cl)c3)n2)cn1 ZINC000002804395 539353567 /nfs/dbraw/zinc/35/35/67/539353567.db2.gz CBACPKNZHSXJSF-UHFFFAOYSA-N -1 0 351.819 2.119 50 0 FEAARM Cc1nn(C)cc1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002778312 539352999 /nfs/dbraw/zinc/35/29/99/539352999.db2.gz OCIRJLZOLZUSMO-SECBINFHSA-N -1 0 371.466 2.317 50 0 FEAARM O=C([O-])c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000002786562 539353015 /nfs/dbraw/zinc/35/30/15/539353015.db2.gz HKOJWQYOBZLZNV-UHFFFAOYSA-N -1 0 355.379 2.091 50 0 FEAARM O=C([O-])CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000002978875 539357739 /nfs/dbraw/zinc/35/77/39/539357739.db2.gz AQURKSRXGKIUDC-GXDHUFHOSA-N -1 0 362.769 2.295 50 0 FEAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003025618 539358867 /nfs/dbraw/zinc/35/88/67/539358867.db2.gz OURVVLKNBUJLAR-OAHLLOKOSA-N -1 0 353.371 2.329 50 0 FEAARM CCCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)NC1=S ZINC000003662901 539373047 /nfs/dbraw/zinc/37/30/47/539373047.db2.gz VUVBGGGSZWSCAD-XFFZJAGNSA-N -1 0 354.815 2.271 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000004090514 539376569 /nfs/dbraw/zinc/37/65/69/539376569.db2.gz ZVMIQRBGSKEZLK-IRXDYDNUSA-N -1 0 350.374 2.071 50 0 biogenic FEAARM COc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000004241835 539379461 /nfs/dbraw/zinc/37/94/61/539379461.db2.gz TXLCONZZXXHPEB-HNNXBMFYSA-N -1 0 350.415 2.374 50 0 FEAARM O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O ZINC000004690454 539390614 /nfs/dbraw/zinc/39/06/14/539390614.db2.gz HTGKOZGPGWNHJE-RUDMXATFSA-N -1 0 358.169 2.276 50 0 FEAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)[O-])ccc12 ZINC000004860544 539394214 /nfs/dbraw/zinc/39/42/14/539394214.db2.gz JDCPRLYIRIIRKP-ABAIWWIYSA-N -1 0 359.378 2.198 50 0 FEAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1c1cccc(Cl)c1 ZINC000299743895 530041726 /nfs/dbraw/zinc/04/17/26/530041726.db2.gz PYFNTZWEYUVEEQ-IVMMDQJWSA-N -1 0 364.829 2.183 50 0 FEAARM O=S(=O)([N-]c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1F ZINC000005328924 539408213 /nfs/dbraw/zinc/40/82/13/539408213.db2.gz NZMVJWUBTUVQKV-UHFFFAOYSA-N -1 0 370.427 2.166 50 0 FEAARM COC(=O)c1sccc1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000005355267 539409528 /nfs/dbraw/zinc/40/95/28/539409528.db2.gz GALIJIRONFHFJN-UHFFFAOYSA-N -1 0 352.393 2.359 50 0 FEAARM COc1cc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)ccc1O ZINC000005519866 539412384 /nfs/dbraw/zinc/41/23/84/539412384.db2.gz LHRZKLMPEZRZOB-CQSZACIVSA-N -1 0 353.382 2.187 50 0 FEAARM CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146326 539422848 /nfs/dbraw/zinc/42/28/48/539422848.db2.gz RLXFJLAFBHRVGP-ZDUSSCGKSA-N -1 0 366.414 2.127 50 0 FEAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccnc3)cs2)no1 ZINC000006681821 539435095 /nfs/dbraw/zinc/43/50/95/539435095.db2.gz LBUBQWIMFGDCFF-UHFFFAOYSA-N -1 0 364.408 2.493 50 0 FEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006858683 539439947 /nfs/dbraw/zinc/43/99/47/539439947.db2.gz ZUCKAUQEOKRCBL-UHFFFAOYSA-N -1 0 355.213 2.349 50 0 FEAARM CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000006831365 539439098 /nfs/dbraw/zinc/43/90/98/539439098.db2.gz STGDUROTQRJVFG-QGZVFWFLSA-N -1 0 368.389 2.456 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000008588785 539488961 /nfs/dbraw/zinc/48/89/61/539488961.db2.gz PIKZIAALGMMOKN-UHFFFAOYSA-N -1 0 368.798 2.480 50 0 FEAARM Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000032091842 539929152 /nfs/dbraw/zinc/92/91/52/539929152.db2.gz ZJWYHHFCNDTBRW-SFHVURJKSA-N -1 0 369.425 2.111 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC000032962239 539961160 /nfs/dbraw/zinc/96/11/60/539961160.db2.gz BYOXUFIZHMHHAY-UHFFFAOYSA-N -1 0 350.396 2.260 50 0 FEAARM O=C([O-])CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000034926582 539978289 /nfs/dbraw/zinc/97/82/89/539978289.db2.gz HONXSSHIMGIURO-UHFFFAOYSA-N -1 0 371.412 2.066 50 0 FEAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])n2ncc(Br)c2n1 ZINC000036615772 539991105 /nfs/dbraw/zinc/99/11/05/539991105.db2.gz UCHBZZUFVQVPTN-UHFFFAOYSA-N -1 0 350.176 2.207 50 0 FEAARM O=C(NCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000040108685 540006096 /nfs/dbraw/zinc/00/60/96/540006096.db2.gz IPBFKLQRISUMEH-UHFFFAOYSA-N -1 0 368.418 2.158 50 0 FEAARM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002145754 219429890 /nfs/dbraw/zinc/42/98/90/219429890.db2.gz MNAPPUZUHREFBX-RYUDHWBXSA-N -1 0 373.405 2.337 50 0 biogenic FEAARM CCCc1nc2sc3c(c2c(=O)n1NC(=O)CCC(=O)[O-])CCCC3 ZINC000002230233 219432847 /nfs/dbraw/zinc/43/28/47/219432847.db2.gz UFZNWSZCQFKQIW-UHFFFAOYSA-N -1 0 363.439 2.224 50 0 FEAARM O=C([O-])CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1 ZINC000238087029 222913883 /nfs/dbraw/zinc/91/38/83/222913883.db2.gz SITFNFPSXHFYDH-UHFFFAOYSA-N -1 0 360.797 2.239 50 0 FEAARM Cc1ccc(NC(=O)c2n[nH]nc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000004499988 219579987 /nfs/dbraw/zinc/57/99/87/219579987.db2.gz KPBPIPXVAKGJIJ-UHFFFAOYSA-N -1 0 371.422 2.475 50 0 FEAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000006059152 219711565 /nfs/dbraw/zinc/71/15/65/219711565.db2.gz MRICABAPAXKYHG-SSDOTTSWSA-N -1 0 354.247 2.138 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)o1 ZINC000299742066 223079303 /nfs/dbraw/zinc/07/93/03/223079303.db2.gz GRGHWCGHKSXQHS-SNVBAGLBSA-N -1 0 362.769 2.301 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000299752239 223080063 /nfs/dbraw/zinc/08/00/63/223080063.db2.gz SYWCGKOPHLFSNJ-HNNXBMFYSA-N -1 0 368.414 2.383 50 0 FEAARM CCCc1nc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)cs1 ZINC000072409576 541806538 /nfs/dbraw/zinc/80/65/38/541806538.db2.gz GQYFDEDWCBQLKJ-UHFFFAOYSA-N -1 0 362.455 2.355 50 0 FEAARM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000072420358 541809360 /nfs/dbraw/zinc/80/93/60/541809360.db2.gz KKNZWBCFEDEALY-QGZVFWFLSA-N -1 0 370.449 2.032 50 0 FEAARM CN(Cc1nc(C2CC2)no1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072424600 541809998 /nfs/dbraw/zinc/80/99/98/541809998.db2.gz JPXSAUWKZBTSSZ-UHFFFAOYSA-N -1 0 352.354 2.134 50 0 FEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000012604638 220013902 /nfs/dbraw/zinc/01/39/02/220013902.db2.gz IRFZARJWHQRUHE-UHFFFAOYSA-N -1 0 360.391 2.078 50 0 FEAARM COc1ccc(CCNC(=O)COc2ccccc2C(=O)[O-])cc1OC ZINC000013080210 220057604 /nfs/dbraw/zinc/05/76/04/220057604.db2.gz YJPNGRAYVMJTFT-UHFFFAOYSA-N -1 0 359.378 2.140 50 0 FEAARM COc1ccc(CCNC(=O)COc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000013420785 220067611 /nfs/dbraw/zinc/06/76/11/220067611.db2.gz NCWDSAIHLCPZPO-UHFFFAOYSA-N -1 0 373.405 2.069 50 0 FEAARM O=C([O-])COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000014009902 220102528 /nfs/dbraw/zinc/10/25/28/220102528.db2.gz IYMJPLUWTWZKMO-CXUHLZMHSA-N -1 0 370.336 2.382 50 0 FEAARM CONC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000014200166 220116035 /nfs/dbraw/zinc/11/60/35/220116035.db2.gz JAQCPJCYRAUSLD-UHFFFAOYSA-N -1 0 370.814 2.441 50 0 FEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017073301 220202321 /nfs/dbraw/zinc/20/23/21/220202321.db2.gz GEPIJSOBKPDQKK-GMGZGELVSA-N -1 0 354.410 2.402 50 0 FEAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC2(c3ccccc3)CCC2)cs1 ZINC000073524039 541961446 /nfs/dbraw/zinc/96/14/46/541961446.db2.gz UCBMOJQRFXOLIJ-UHFFFAOYSA-N -1 0 365.480 2.253 50 0 FEAARM CCCC[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000020412552 220325976 /nfs/dbraw/zinc/32/59/76/220325976.db2.gz QSEXFRAUXUBYPQ-ZDUSSCGKSA-N -1 0 361.394 2.418 50 0 FEAARM Cc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)nn1Cc1ccccc1C ZINC000020614459 220336268 /nfs/dbraw/zinc/33/62/68/220336268.db2.gz AGRGBBFSVJWJTF-UHFFFAOYSA-N -1 0 353.382 2.232 50 0 FEAARM O=C([O-])CNc1cc(-c2cc(C(=O)NC3CC3)ccn2)c2cc[nH]c2n1 ZINC000077469999 542385785 /nfs/dbraw/zinc/38/57/85/542385785.db2.gz LBOJGKCVOYOCCP-UHFFFAOYSA-N -1 0 351.366 2.014 50 0 FEAARM 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PLJSNSJXZVUGOM-PELKAZGASA-N -1 0 359.209 2.278 50 0 FEAARM Cc1ccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H]3CCOC3)s2)o1 ZINC000158181095 545832080 /nfs/dbraw/zinc/83/20/80/545832080.db2.gz OLFCXCXWXZLWNU-LLVKDONJSA-N -1 0 370.452 2.116 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000170609400 546164805 /nfs/dbraw/zinc/16/48/05/546164805.db2.gz RILPGHDHUHYZKJ-QWHCGFSZSA-N -1 0 365.842 2.091 50 0 FEAARM O=C(NCCCCO)c1cc(Br)c([O-])c(Br)c1 ZINC000195008346 548563924 /nfs/dbraw/zinc/56/39/24/548563924.db2.gz NGASRXKCVJNJOK-UHFFFAOYSA-N -1 0 367.037 2.420 50 0 FEAARM C[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc(-c2ccccc2)c(F)c1 ZINC000223915500 548725865 /nfs/dbraw/zinc/72/58/65/548725865.db2.gz KAQKPVLGVGUVFU-LBPRGKRZSA-N -1 0 354.385 2.367 50 0 FEAARM CCOc1nc2cc(C(=O)NCc3nncn3-c3ccccc3)ccc2[nH]1 ZINC000225703695 548741277 /nfs/dbraw/zinc/74/12/77/548741277.db2.gz LRDFPFZUPRWBCR-UHFFFAOYSA-N -1 0 362.393 2.472 50 0 FEAARM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237282326 548815055 /nfs/dbraw/zinc/81/50/55/548815055.db2.gz FLOCYQQQQUNFNO-MRXNPFEDSA-N -1 0 356.353 2.401 50 0 FEAARM C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237637312 548841601 /nfs/dbraw/zinc/84/16/01/548841601.db2.gz UYLIMTHFQWFHJI-DTWKUNHWSA-N -1 0 360.179 2.289 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000237941517 548866496 /nfs/dbraw/zinc/86/64/96/548866496.db2.gz WNIHCGHQXULQRK-NSHDSACASA-N -1 0 363.805 2.175 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000237974857 548869001 /nfs/dbraw/zinc/86/90/01/548869001.db2.gz PKSOKGLINWJEOF-QRTARXTBSA-N -1 0 354.406 2.246 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000238093646 548877953 /nfs/dbraw/zinc/87/79/53/548877953.db2.gz ZUXCDCPUXSXBLQ-GXSJLCMTSA-N -1 0 371.220 2.279 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000238132685 548879462 /nfs/dbraw/zinc/87/94/62/548879462.db2.gz OFFWLEKPRRGXFQ-AWEZNQCLSA-N -1 0 357.410 2.367 50 0 FEAARM Cc1[nH]c(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1C(=O)[O-] ZINC000244872942 548897156 /nfs/dbraw/zinc/89/71/56/548897156.db2.gz WHJCMVPZIFHBDG-ZDUSSCGKSA-N -1 0 361.442 2.193 50 0 FEAARM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262429072 549819444 /nfs/dbraw/zinc/81/94/44/549819444.db2.gz IQHIOMRNMOBOEC-GXSJLCMTSA-N -1 0 362.209 2.463 50 0 FEAARM CCc1nc(COc2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)no1 ZINC000262679725 549838271 /nfs/dbraw/zinc/83/82/71/549838271.db2.gz SFTKPRTWHCWGMC-AWEZNQCLSA-N -1 0 359.382 2.290 50 0 FEAARM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000262858182 549856569 /nfs/dbraw/zinc/85/65/69/549856569.db2.gz FEQLZTQYBNACBP-LLVKDONJSA-N -1 0 359.279 2.455 50 0 FEAARM COc1ccc([C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C(=O)[O-])cc1 ZINC000263022537 549871643 /nfs/dbraw/zinc/87/16/43/549871643.db2.gz YKESHLMJUPPPRU-SFHVURJKSA-N -1 0 368.389 2.160 50 0 FEAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 ZINC000524732406 562233235 /nfs/dbraw/zinc/23/32/35/562233235.db2.gz ZRIZFGSDZVWGPS-ZDUSSCGKSA-N -1 0 359.313 2.078 50 0 FEAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000426492766 559735763 /nfs/dbraw/zinc/73/57/63/559735763.db2.gz HKQZXKIOIHMIIU-INIZCTEOSA-N -1 0 353.422 2.089 50 0 FEAARM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)C[C@@H]1CCOC1 ZINC000455897103 560499606 /nfs/dbraw/zinc/49/96/06/560499606.db2.gz QSEWOZRFLZZHGT-LBPRGKRZSA-N -1 0 356.216 2.289 50 0 FEAARM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)C[C@@H](C)O1 ZINC000222171599 568502509 /nfs/dbraw/zinc/50/25/09/568502509.db2.gz ZZENENKNUPRGAA-YRGRVCCFSA-N -1 0 354.397 2.384 50 0 FEAARM O=C([O-])CCN(C(=O)[C@H]1CSc2ccccc2O1)C1CCOCC1 ZINC000583650604 570812160 /nfs/dbraw/zinc/81/21/60/570812160.db2.gz POBWWMPNNCXJRI-CQSZACIVSA-N -1 0 351.424 2.022 50 0 FEAARM COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@]3(C)C(=O)[O-])cc1 ZINC000102347372 570830957 /nfs/dbraw/zinc/83/09/57/570830957.db2.gz QBWUAYJCHYZDMT-IBGZPJMESA-N -1 0 364.361 2.164 50 0 FEAARM CN(Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000426358799 571214865 /nfs/dbraw/zinc/21/48/65/571214865.db2.gz AEEWTKPDNLAWKO-UHFFFAOYSA-N -1 0 360.377 2.393 50 0 FEAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3F)C2)n1 ZINC000426396360 571219381 /nfs/dbraw/zinc/21/93/81/571219381.db2.gz FSFUMODFGBLWGV-GFCCVEGCSA-N -1 0 363.364 2.195 50 0 FEAARM CC(C)c1noc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000670448490 571351620 /nfs/dbraw/zinc/35/16/20/571351620.db2.gz SDVVULIZKRCKTJ-MRVPVSSYSA-N -1 0 357.363 2.070 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCCOc3cc(F)ccc32)c[nH]1 ZINC000567794464 605207698 /nfs/dbraw/zinc/20/76/98/605207698.db2.gz XWZBUDNTPDCLFJ-GFCCVEGCSA-N -1 0 354.359 2.044 50 0 FEAARM O=C(c1ncccc1O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000194643507 672764840 /nfs/dbraw/zinc/76/48/40/672764840.db2.gz BOBZYCFTOQMMIE-UHFFFAOYSA-N -1 0 352.316 2.163 50 0 FEAARM CC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)C(=O)[O-] ZINC000888093294 688545373 /nfs/dbraw/zinc/54/53/73/688545373.db2.gz OTDWLHHMCLARKY-UONOGXRCSA-N -1 0 350.806 2.288 50 0 FEAARM Cc1ccc(OCCCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1 ZINC000555757276 939302311 /nfs/dbraw/zinc/30/23/11/939302311.db2.gz FQIXLWXEACCYMP-NVXWUHKLSA-N -1 0 364.442 2.333 50 0 FEAARM CCOC(=O)C1=C(CSCC(=O)[O-])N(C)C(=O)N[C@H]1c1ccccc1 ZINC000001088940 539337805 /nfs/dbraw/zinc/33/78/05/539337805.db2.gz IECFOEKFGHQGMT-HNNXBMFYSA-N -1 0 364.423 2.018 50 0 FEAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002099058 539344543 /nfs/dbraw/zinc/34/45/43/539344543.db2.gz UMCAGIBYYQWPFC-GFCCVEGCSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM C[C@@H](Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)C(=O)[O-] ZINC000002076531 539344926 /nfs/dbraw/zinc/34/49/26/539344926.db2.gz GCNMWPSHBPUACZ-HPUUJOOBSA-N -1 0 366.398 2.309 50 0 FEAARM Cc1c(O)ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12 ZINC000002155102 539345750 /nfs/dbraw/zinc/34/57/50/539345750.db2.gz NFRAFQYOBWWQRI-AWEZNQCLSA-N -1 0 361.394 2.273 50 0 biogenic FEAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000002287580 539346731 /nfs/dbraw/zinc/34/67/31/539346731.db2.gz QVZGIXXEDINKGE-OPCAMPFDSA-N -1 0 368.389 2.055 50 0 FEAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003234078 539360929 /nfs/dbraw/zinc/36/09/29/539360929.db2.gz HPTIFMDZYFQKHI-KWQFWETISA-N -1 0 350.234 2.227 50 0 FEAARM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299748626 529872605 /nfs/dbraw/zinc/87/26/05/529872605.db2.gz HTDFSKDORAWWLH-WFASDCNBSA-N -1 0 372.343 2.158 50 0 FEAARM COc1cccc(OCC(=O)Nc2ccc(OC(C)=O)cc2C(=O)[O-])c1 ZINC000003628198 539372609 /nfs/dbraw/zinc/37/26/09/539372609.db2.gz YJGWMUPKRXDZJL-UHFFFAOYSA-N -1 0 359.334 2.336 50 0 biogenic FEAARM COc1cccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nnn[n-]2)c1 ZINC000004673546 539389519 /nfs/dbraw/zinc/38/95/19/539389519.db2.gz BRHOTLDDCAKUIG-HNNXBMFYSA-N -1 0 353.382 2.182 50 0 FEAARM CC(NN1CCCCCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005092347 539402832 /nfs/dbraw/zinc/40/28/32/539402832.db2.gz PORULJCZPVZSTN-JQIJEIRASA-N -1 0 356.426 2.124 50 0 FEAARM COc1ccc(CNC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1OC ZINC000005408821 539410435 /nfs/dbraw/zinc/41/04/35/539410435.db2.gz PHEKXJQPQXCCIF-UHFFFAOYSA-N -1 0 354.362 2.181 50 0 FEAARM COCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000005345178 539409300 /nfs/dbraw/zinc/40/93/00/539409300.db2.gz TUPIBPORFKGWMR-UHFFFAOYSA-N -1 0 374.422 2.038 50 0 FEAARM O=C([N-]c1nncs1)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006680448 539433896 /nfs/dbraw/zinc/43/38/96/539433896.db2.gz ZRARZSIREOKOIV-UHFFFAOYSA-N -1 0 358.470 2.027 50 0 FEAARM COc1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c(OC)c1 ZINC000006937488 539441796 /nfs/dbraw/zinc/44/17/96/539441796.db2.gz JIWDVWNNFIFSEH-UHFFFAOYSA-N -1 0 359.334 2.426 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)n[nH]1 ZINC000008611634 539489097 /nfs/dbraw/zinc/48/90/97/539489097.db2.gz UZSXMXZFWBXAAA-UHFFFAOYSA-N -1 0 359.791 2.049 50 0 FEAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000008879922 539493824 /nfs/dbraw/zinc/49/38/24/539493824.db2.gz AASNJZKAXNNCFH-LBPRGKRZSA-N -1 0 359.378 2.063 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000009828266 539507579 /nfs/dbraw/zinc/50/75/79/539507579.db2.gz SSJCXBALMOGSAL-UHFFFAOYSA-N -1 0 362.407 2.389 50 0 FEAARM COc1ccc(C[C@@H](C(=O)Nc2ccccc2)c2nnn[n-]2)c(OC)c1 ZINC000013942899 539592638 /nfs/dbraw/zinc/59/26/38/539592638.db2.gz QLXXMGHCDGWFPK-OAHLLOKOSA-N -1 0 353.382 2.182 50 0 FEAARM CCCCCn1c(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2[n-]c1=S ZINC000020102277 539672583 /nfs/dbraw/zinc/67/25/83/539672583.db2.gz XXXHSUZCFXYAKG-UHFFFAOYSA-N -1 0 374.510 2.263 50 0 FEAARM CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000000607798 219305737 /nfs/dbraw/zinc/30/57/37/219305737.db2.gz QMLVECGLEOSESV-RYUDHWBXSA-N -1 0 357.385 2.066 50 0 investigational FEAARM Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000668203 219311424 /nfs/dbraw/zinc/31/14/24/219311424.db2.gz YVVUEYBDGLCBJZ-CABCVRRESA-N -1 0 357.410 2.314 50 0 FEAARM Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000668202 219311595 /nfs/dbraw/zinc/31/15/95/219311595.db2.gz YVVUEYBDGLCBJZ-GJZGRUSLSA-N -1 0 357.410 2.314 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2ccccc2Cl)CCC(=O)N1 ZINC000223862144 222797254 /nfs/dbraw/zinc/79/72/54/222797254.db2.gz VAIIESDPCVWHPU-QGZVFWFLSA-N -1 0 352.818 2.250 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2c(F)cccc2Cl)CCC(=O)N1 ZINC000223929275 222800469 /nfs/dbraw/zinc/80/04/69/222800469.db2.gz IPIZAOBZKDFSKA-QGZVFWFLSA-N -1 0 370.808 2.389 50 0 FEAARM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)s2)o1 ZINC000030568983 539885713 /nfs/dbraw/zinc/88/57/13/539885713.db2.gz GOGNHJRCNOBWNP-UHFFFAOYSA-N -1 0 370.456 2.338 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000001442491 219406391 /nfs/dbraw/zinc/40/63/91/219406391.db2.gz SWHYELYFXHVCKL-HNNXBMFYSA-N -1 0 365.407 2.348 50 0 FEAARM CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078753 539966091 /nfs/dbraw/zinc/96/60/91/539966091.db2.gz AXRGGDYMYKRSMO-UHFFFAOYSA-N -1 0 367.405 2.306 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000033114673 539969048 /nfs/dbraw/zinc/96/90/48/539969048.db2.gz JLKJBHYKUVVEPL-HZPDHXFCSA-N -1 0 370.340 2.341 50 0 FEAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000033929424 539976171 /nfs/dbraw/zinc/97/61/71/539976171.db2.gz QVZGIXXEDINKGE-MLDYKZIASA-N -1 0 368.389 2.055 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1 ZINC000002106384 219427226 /nfs/dbraw/zinc/42/72/26/219427226.db2.gz UQFAFQAARVMAMQ-KRWDZBQOSA-N -1 0 361.394 2.268 50 0 biogenic FEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCOC(C)C)[nH]c2C[C@@H]1C ZINC000002499386 219447784 /nfs/dbraw/zinc/44/77/84/219447784.db2.gz HNLIFRRBNSDTJQ-GWCFXTLKSA-N -1 0 351.399 2.069 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000237943045 222910971 /nfs/dbraw/zinc/91/09/71/222910971.db2.gz IAUAOFJUTXUEKT-HNNXBMFYSA-N -1 0 360.389 2.325 50 0 FEAARM CCn1ncc(Cn2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cn2)c1C ZINC000002809410 219467926 /nfs/dbraw/zinc/46/79/26/219467926.db2.gz OBEFTEVEYHCKTH-HOTGVXAUSA-N -1 0 359.430 2.286 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc3c(c2)OCCO3)s1 ZINC000042318253 540058541 /nfs/dbraw/zinc/05/85/41/540058541.db2.gz DOQAJVWHISMQBA-XQRVVYSFSA-N -1 0 365.432 2.346 50 0 FEAARM NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000299748779 223080299 /nfs/dbraw/zinc/08/02/99/223080299.db2.gz IDRPECVFBPTCAD-MRXNPFEDSA-N -1 0 368.389 2.054 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)CCO1 ZINC000299752551 223080827 /nfs/dbraw/zinc/08/08/27/223080827.db2.gz UOFFDFFSDUBYLT-HNNXBMFYSA-N -1 0 362.407 2.038 50 0 FEAARM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c1 ZINC000012557163 220007355 /nfs/dbraw/zinc/00/73/55/220007355.db2.gz GFACSFBKGVREMX-UHFFFAOYSA-N -1 0 368.436 2.085 50 0 FEAARM C[C@@H](Cn1cncn1)C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072153446 541790792 /nfs/dbraw/zinc/79/07/92/541790792.db2.gz HFOJXIPOYGBGMP-AWEZNQCLSA-N -1 0 356.426 2.094 50 0 FEAARM CC(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c(=O)[nH]c1C ZINC000072164138 541793503 /nfs/dbraw/zinc/79/35/03/541793503.db2.gz CILDZLRPOLBFPJ-CYBMUJFWSA-N -1 0 368.389 2.214 50 0 FEAARM O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)[O-])CCCCC1 ZINC000072276976 541796935 /nfs/dbraw/zinc/79/69/35/541796935.db2.gz HYNFBRQZHSZLQG-IZZDOVSWSA-N -1 0 356.422 2.496 50 0 FEAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000072277001 541796949 /nfs/dbraw/zinc/79/69/49/541796949.db2.gz FEGZSSLCPCPEIB-QGZVFWFLSA-N -1 0 358.438 2.426 50 0 FEAARM CCc1cc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)n(C)n1 ZINC000072407871 541805728 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526290020 /nfs/dbraw/zinc/29/00/20/526290020.db2.gz LKTPGNZEXCPYHE-XKQJLSEDSA-N -1 0 372.400 2.323 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000178260586 526325903 /nfs/dbraw/zinc/32/59/03/526325903.db2.gz YEODKAZNUIVHKJ-ZDUSSCGKSA-N -1 0 359.451 2.446 50 0 FEAARM Cc1oc(CN(C)C(=O)c2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] ZINC000268946469 526768598 /nfs/dbraw/zinc/76/85/98/526768598.db2.gz WVXXKQGJEVKOSK-UHFFFAOYSA-N -1 0 357.366 2.088 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000238154726 527625804 /nfs/dbraw/zinc/62/58/04/527625804.db2.gz AANBJPUCKJSOEU-QZTJIDSGSA-N -1 0 366.417 2.367 50 0 FEAARM C[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C1CCOCC1 ZINC000162178938 546137630 /nfs/dbraw/zinc/13/76/30/546137630.db2.gz NJDNGFZLSZJZRR-LBPRGKRZSA-N -1 0 361.467 2.007 50 0 FEAARM CCc1nc(C)ncc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000170631369 546167567 /nfs/dbraw/zinc/16/75/67/546167567.db2.gz AQAJHAYSZVHBCK-UHFFFAOYSA-N -1 0 357.435 2.394 50 0 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O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC1=CSC2=NCCCN12 ZINC000244741882 548894016 /nfs/dbraw/zinc/89/40/16/548894016.db2.gz NYJPANUNNDYTOH-OAHLLOKOSA-N -1 0 357.435 2.065 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000248512387 549452855 /nfs/dbraw/zinc/45/28/55/549452855.db2.gz CKUADUVWTUTDOU-XYPHTWIQSA-N -1 0 371.437 2.423 50 0 FEAARM O=C([O-])CCCCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000262339939 549812381 /nfs/dbraw/zinc/81/23/81/549812381.db2.gz HVDAYSIHAGGADH-UHFFFAOYSA-N -1 0 358.188 2.205 50 0 FEAARM COc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000268888470 550128045 /nfs/dbraw/zinc/12/80/45/550128045.db2.gz DUCGYGCVXSYEJQ-HNNXBMFYSA-N -1 0 369.373 2.118 50 0 FEAARM COc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2C(=O)[O-])cc1F ZINC000278731474 550815672 /nfs/dbraw/zinc/81/56/72/550815672.db2.gz PPRHPKOKSMRNCV-CQSZACIVSA-N -1 0 371.411 2.269 50 0 FEAARM CC(C)n1ncc2cc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)cnc21 ZINC000333568863 554624408 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O=C([O-])[C@H]1C[C@@H](NC(=O)C/C=C/c2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC000685940882 571100308 /nfs/dbraw/zinc/10/03/08/571100308.db2.gz YMZMTACEDCRKSE-ORFKQXGESA-N -1 0 358.373 2.041 50 0 FEAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119436996 571102205 /nfs/dbraw/zinc/10/22/05/571102205.db2.gz WIZMQSDEMKXNDF-OTYXRUKQSA-N -1 0 352.799 2.105 50 0 FEAARM Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000685943923 571104295 /nfs/dbraw/zinc/10/42/95/571104295.db2.gz MDJLYXCQVDRGKR-SJORKVTESA-N -1 0 355.438 2.183 50 0 FEAARM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000565043913 600251603 /nfs/dbraw/zinc/25/16/03/600251603.db2.gz OAIKQNCWXQRUNX-UHFFFAOYSA-N -1 0 368.389 2.418 50 0 FEAARM COc1cccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C(=O)[O-])c1 ZINC000659175525 939849151 /nfs/dbraw/zinc/84/91/51/939849151.db2.gz PANGUOVODDRMQX-INIZCTEOSA-N -1 0 356.378 2.230 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1 ZINC000000727342 539333163 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COc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nnn[n-]2)c(OC)c1 ZINC000004599306 539389675 /nfs/dbraw/zinc/38/96/75/539389675.db2.gz MDVHMQWDAMJIEK-OAHLLOKOSA-N -1 0 371.372 2.321 50 0 FEAARM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000005127191 539403211 /nfs/dbraw/zinc/40/32/11/539403211.db2.gz OUCFMSMAFZVXPG-UHFFFAOYSA-N -1 0 374.871 2.391 50 0 FEAARM O=C1N[C@H](c2ccccn2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000005572602 539412946 /nfs/dbraw/zinc/41/29/46/539412946.db2.gz GYLRWBUJBMENNA-WDMOLILDSA-N -1 0 371.340 2.247 50 0 FEAARM Cc1csc(N(C(=O)CCn2[n-]c(=O)ccc2=O)c2ccccc2)n1 ZINC000007735098 539464911 /nfs/dbraw/zinc/46/49/11/539464911.db2.gz BWBIVKPEKAVEIO-UHFFFAOYSA-N -1 0 356.407 2.057 50 0 FEAARM CCOc1ccc(OCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000008756360 539491439 /nfs/dbraw/zinc/49/14/39/539491439.db2.gz UAVTZXBZCGSIQL-UHFFFAOYSA-N -1 0 373.434 2.421 50 0 FEAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NC1CC1 ZINC000008978953 539495620 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CC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000029435921 539853509 /nfs/dbraw/zinc/85/35/09/539853509.db2.gz STCSHICDMYJFEK-UHFFFAOYSA-N -1 0 361.423 2.254 50 0 FEAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nc4ncccn4n3)c12 ZINC000032883012 539957219 /nfs/dbraw/zinc/95/72/19/539957219.db2.gz CPUJRHJVZWGASE-UHFFFAOYSA-N -1 0 373.419 2.326 50 0 FEAARM CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)CC1 ZINC000032947008 539960774 /nfs/dbraw/zinc/96/07/74/539960774.db2.gz QPQMEEDQOUPAFO-UHFFFAOYSA-N -1 0 367.405 2.306 50 0 FEAARM CCCCNC(=O)Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O ZINC000033038073 539964295 /nfs/dbraw/zinc/96/42/95/539964295.db2.gz FXFSUHIAFCPWIU-UHFFFAOYSA-N -1 0 358.373 2.153 50 0 FEAARM O=C(Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O)NCc1ccccc1 ZINC000033037936 539964598 /nfs/dbraw/zinc/96/45/98/539964598.db2.gz VMQQUQLFJFNUID-UHFFFAOYSA-N -1 0 374.400 2.414 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1 ZINC000033274064 539973378 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2.423 50 0 FEAARM CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091468651 522584360 /nfs/dbraw/zinc/58/43/60/522584360.db2.gz LJOWNGJFSKDAIA-DLBZAZTESA-N -1 0 355.438 2.471 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1c1ccccc1 ZINC000091586325 526285693 /nfs/dbraw/zinc/28/56/93/526285693.db2.gz YARHOKDSLZCJRV-DLBZAZTESA-N -1 0 365.389 2.465 50 0 FEAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000268946356 527562022 /nfs/dbraw/zinc/56/20/22/527562022.db2.gz WMPCKJREDQXYRR-OTTFEQOBSA-N -1 0 364.829 2.453 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@H]1COc2ccccc21 ZINC000158776438 545893543 /nfs/dbraw/zinc/89/35/43/545893543.db2.gz ICAIODBHFXYSEX-NSHDSACASA-N -1 0 372.324 2.082 50 0 FEAARM CC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1OCC(=O)[O-])CC(=O)O2 ZINC000217918814 548683195 /nfs/dbraw/zinc/68/31/95/548683195.db2.gz FKEPELUHAGLLLA-CYBMUJFWSA-N -1 0 356.330 2.499 50 0 FEAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2cccc3[nH]ccc32)CCC(=O)N1 ZINC000222442582 548708034 /nfs/dbraw/zinc/70/80/34/548708034.db2.gz JKDFSAMTHRZOQX-LJQANCHMSA-N -1 0 357.410 2.078 50 0 FEAARM Cn1cc(-c2ncc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])s2)cn1 ZINC000237804784 548854346 /nfs/dbraw/zinc/85/43/46/548854346.db2.gz KJHIHPLVABXCRM-CQSZACIVSA-N -1 0 368.418 2.195 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3F)o2)CCO1 ZINC000238052206 548874553 /nfs/dbraw/zinc/87/45/53/548874553.db2.gz GWABBWKTCALZAM-LBPRGKRZSA-N -1 0 362.357 2.115 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000238109504 548878359 /nfs/dbraw/zinc/87/83/59/548878359.db2.gz VWYBCIDMWPMNGU-CQSZACIVSA-N -1 0 361.373 2.107 50 0 FEAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(C)c1OCc1cccnc1 ZINC000262887594 549859596 /nfs/dbraw/zinc/85/95/96/549859596.db2.gz MXHFEMIUUAYZAG-KRWDZBQOSA-N -1 0 370.405 2.203 50 0 FEAARM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263295258 549892988 /nfs/dbraw/zinc/89/29/88/549892988.db2.gz MXZULOXLVNFAAH-KGLIPLIRSA-N -1 0 359.426 2.215 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000285129747 551708529 /nfs/dbraw/zinc/70/85/29/551708529.db2.gz NURKMFGELSDWPO-UHFFFAOYSA-N -1 0 350.396 2.253 50 0 FEAARM CNC(=O)c1ccc(/C=C\C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000299327612 553548344 /nfs/dbraw/zinc/54/83/44/553548344.db2.gz BGALMQBOJKLYJT-YOKZVLDXSA-N -1 0 356.422 2.304 50 0 FEAARM COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc1C(=O)[O-] ZINC000299747354 553610590 /nfs/dbraw/zinc/61/05/90/553610590.db2.gz CTICDSFZUSBGJG-AWEZNQCLSA-N -1 0 368.389 2.160 50 0 FEAARM C[C@@H]1CN(c2ccc(C(=O)N=c3cc(C(F)(F)F)[n-][nH]3)cn2)C[C@H](C)O1 ZINC000332144133 554389668 /nfs/dbraw/zinc/38/96/68/554389668.db2.gz NENMBOPTQAHSCJ-AOOOYVTPSA-N -1 0 369.347 2.689 50 0 FEAARM CC(C)(C)c1ccc(CN2CCN(C(=O)NC3(C(=O)[O-])CC3)CC2)cc1 ZINC000426491406 559735696 /nfs/dbraw/zinc/73/56/96/559735696.db2.gz JPICCYLLLBMOHP-UHFFFAOYSA-N -1 0 359.470 2.429 50 0 FEAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000426523757 559736756 /nfs/dbraw/zinc/73/67/56/559736756.db2.gz YWQKYTRIPBRXLA-HNNXBMFYSA-N -1 0 352.394 2.469 50 0 FEAARM CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 ZINC000427677915 559760324 /nfs/dbraw/zinc/76/03/24/559760324.db2.gz LKKNOFZBNGJZOU-JKSUJKDBSA-N -1 0 372.446 2.325 50 0 FEAARM COC(=O)C[C@H](c1ccc(OC)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205951697 570547176 /nfs/dbraw/zinc/54/71/76/570547176.db2.gz XJVOGQZXFYZRIM-CQSZACIVSA-N -1 0 354.362 2.104 50 0 FEAARM O=C(Nc1ccc(Cl)cc1F)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990678 570861266 /nfs/dbraw/zinc/86/12/66/570861266.db2.gz JAJFNEZDZGPWHN-UHFFFAOYSA-N -1 0 361.764 2.405 50 0 FEAARM CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Br)C(=O)[C@@H]2C1 ZINC000105162182 570870031 /nfs/dbraw/zinc/87/00/31/570870031.db2.gz OJVLCZXGPMWFBC-CMPLNLGQSA-N -1 0 363.211 2.435 50 0 FEAARM COc1ccc(/C=C/C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1OC ZINC000095969966 939032078 /nfs/dbraw/zinc/03/20/78/939032078.db2.gz CSETXDXZMBSIBL-CSKARUKUSA-N -1 0 367.401 2.455 50 0 FEAARM Cc1ccc(OCCCCNC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1 ZINC000555757274 939302078 /nfs/dbraw/zinc/30/20/78/939302078.db2.gz FQIXLWXEACCYMP-DOTOQJQBSA-N -1 0 364.442 2.333 50 0 FEAARM Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001001255 539337337 /nfs/dbraw/zinc/33/73/37/539337337.db2.gz IWIWANMQKMYTEU-HUUCEWRRSA-N -1 0 355.394 2.090 50 0 FEAARM NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576237 539342462 /nfs/dbraw/zinc/34/24/62/539342462.db2.gz IZKGGDFLLNVXNZ-QGZVFWFLSA-N -1 0 368.389 2.244 50 0 FEAARM CCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002114467 539344614 /nfs/dbraw/zinc/34/46/14/539344614.db2.gz TYHGQFPLLSDENP-UHFFFAOYSA-N -1 0 373.405 2.448 50 0 biogenic FEAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-] ZINC000002123730 539344759 /nfs/dbraw/zinc/34/47/59/539344759.db2.gz MGKIVAFTMPEAKQ-GFCCVEGCSA-N -1 0 367.785 2.372 50 0 biogenic FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(Cc2cccc(F)c2)c1 ZINC000002791789 539354046 /nfs/dbraw/zinc/35/40/46/539354046.db2.gz MYOPTHPMXSKVKT-UHFFFAOYSA-N -1 0 350.375 2.476 50 0 FEAARM O=S(=O)([N-]c1ncn(Cc2cccc(F)c2)n1)c1ccc(F)cc1 ZINC000002777014 539352587 /nfs/dbraw/zinc/35/25/87/539352587.db2.gz PJSMRBTWXOXHJX-UHFFFAOYSA-N -1 0 350.350 2.405 50 0 FEAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000002970814 539357947 /nfs/dbraw/zinc/35/79/47/539357947.db2.gz UFHACUJVZPQDDB-AAEUAGOBSA-N -1 0 361.467 2.393 50 0 FEAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[O-])n2CC ZINC000003886652 539373618 /nfs/dbraw/zinc/37/36/18/539373618.db2.gz ZFXCTCCKWQDCIC-UHFFFAOYSA-N -1 0 353.444 2.104 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004324118 539382541 /nfs/dbraw/zinc/38/25/41/539382541.db2.gz BTOCHLDKQPKFTG-UHFFFAOYSA-N -1 0 359.334 2.441 50 0 FEAARM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000004344172 539382632 /nfs/dbraw/zinc/38/26/32/539382632.db2.gz YCYXUKRYYSXSLJ-HOTGVXAUSA-N -1 0 362.426 2.403 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1 ZINC000004483517 539385237 /nfs/dbraw/zinc/38/52/37/539385237.db2.gz YCXKKZDIAITHHX-IRXDYDNUSA-N -1 0 350.378 2.497 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000004628804 539389223 /nfs/dbraw/zinc/38/92/23/539389223.db2.gz QVQRRHDQFDKVAK-RYUDHWBXSA-N -1 0 363.366 2.089 50 0 FEAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)N1CCCCCC1 ZINC000004853599 539393824 /nfs/dbraw/zinc/39/38/24/539393824.db2.gz CORGSHUNDJNXDZ-UHFFFAOYSA-N -1 0 371.459 2.432 50 0 FEAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)NC1CCCC1 ZINC000004853654 539394009 /nfs/dbraw/zinc/39/40/09/539394009.db2.gz BBUUGROWSPJHTB-UHFFFAOYSA-N -1 0 357.432 2.088 50 0 FEAARM COC(=O)N[C@@]([N-]c1nc2ccccc2s1)(C(=O)OC)C(F)(F)F ZINC000005660439 539414521 /nfs/dbraw/zinc/41/45/21/539414521.db2.gz TZGVPSXCAKFOGS-LBPRGKRZSA-N -1 0 363.317 2.496 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000005693118 539414961 /nfs/dbraw/zinc/41/49/61/539414961.db2.gz CYTNQPIEYSZRIL-UHFFFAOYSA-N -1 0 362.432 2.174 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1 ZINC000006191775 539422601 /nfs/dbraw/zinc/42/26/01/539422601.db2.gz BLYAFYQCOKVKOD-UHFFFAOYSA-N -1 0 350.396 2.463 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000006770297 539437367 /nfs/dbraw/zinc/43/73/67/539437367.db2.gz CFAGGTXHLTVVRG-IAGOWNOFSA-N -1 0 350.378 2.231 50 0 FEAARM COc1cccc(N2C(=O)c3ccccc3N3C(=O)CC[C@@]32C(=O)[O-])c1 ZINC000008264098 539481656 /nfs/dbraw/zinc/48/16/56/539481656.db2.gz JBOFGIOHQGAPEO-IBGZPJMESA-N -1 0 352.346 2.263 50 0 FEAARM COc1cccc(N2C(=O)c3ccccc3N3C(=O)CC[C@]32C(=O)[O-])c1 ZINC000008264104 539481695 /nfs/dbraw/zinc/48/16/95/539481695.db2.gz JBOFGIOHQGAPEO-LJQANCHMSA-N -1 0 352.346 2.263 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c12 ZINC000008764928 539491375 /nfs/dbraw/zinc/49/13/75/539491375.db2.gz HCXYZDNJEHTXHL-ZDUSSCGKSA-N -1 0 373.405 2.284 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012200017 539549587 /nfs/dbraw/zinc/54/95/87/539549587.db2.gz GWCSLJFNRAWMDT-UHFFFAOYSA-N -1 0 360.391 2.149 50 0 FEAARM O=C([O-])CCn1nc(-c2ccc3c(c2)OCCO3)c2ccccc2c1=O ZINC000019798822 539669767 /nfs/dbraw/zinc/66/97/67/539669767.db2.gz PHMRSHQCSDZWAT-UHFFFAOYSA-N -1 0 352.346 2.309 50 0 FEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NC(C)C)c3=O)c2c1 ZINC000020330356 539674498 /nfs/dbraw/zinc/67/44/98/539674498.db2.gz AOHIEGLXNYNLNC-UHFFFAOYSA-N -1 0 360.439 2.464 50 0 FEAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1C ZINC000001117335 219372916 /nfs/dbraw/zinc/37/29/16/219372916.db2.gz DKFJEAOUZPTGIQ-AWEZNQCLSA-N -1 0 365.411 2.210 50 0 FEAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 ZINC000001154146 219382160 /nfs/dbraw/zinc/38/21/60/219382160.db2.gz GYVIBFGWXASIJR-UHFFFAOYSA-N -1 0 355.379 2.091 50 0 FEAARM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000028254760 539828749 /nfs/dbraw/zinc/82/87/49/539828749.db2.gz GLVFZYKEXPPXFM-UHFFFAOYSA-N -1 0 362.382 2.276 50 0 FEAARM CNC(=O)Nc1[n-]nc(SC)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000036048334 539985630 /nfs/dbraw/zinc/98/56/30/539985630.db2.gz CRXDCLRAPNPUSK-UHFFFAOYSA-N -1 0 360.848 2.369 50 0 FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002154383 219429639 /nfs/dbraw/zinc/42/96/39/219429639.db2.gz YWEJLBIIFWLGOR-UHFFFAOYSA-N -1 0 373.405 2.371 50 0 biogenic FEAARM COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000004841043 219612742 /nfs/dbraw/zinc/61/27/42/219612742.db2.gz PWAFZNPHVYNTBC-UHFFFAOYSA-N -1 0 365.407 2.292 50 0 FEAARM Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)[O-])o3)CC2=O)c(F)c1 ZINC000299743160 223079278 /nfs/dbraw/zinc/07/92/78/223079278.db2.gz JYCXWPOXSPSSGK-NSHDSACASA-N -1 0 360.341 2.095 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000299740961 223079449 /nfs/dbraw/zinc/07/94/49/223079449.db2.gz CLHAQMJEUMIALG-SNVBAGLBSA-N -1 0 364.199 2.182 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CSc2ccccc2O1 ZINC000299753689 223080103 /nfs/dbraw/zinc/08/01/03/223080103.db2.gz YZFZJALJOFOWQF-GXTWGEPZSA-N -1 0 351.424 2.022 50 0 FEAARM CCn1cc(Br)cc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000299752907 223080583 /nfs/dbraw/zinc/08/05/83/223080583.db2.gz VYMPFFUPSHUKIO-LBPRGKRZSA-N -1 0 373.247 2.366 50 0 FEAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cccc1N1CCNC1=O ZINC000299753445 223080719 /nfs/dbraw/zinc/08/07/19/223080719.db2.gz YGCDJFBQLMVECF-MRXNPFEDSA-N -1 0 353.378 2.080 50 0 FEAARM COc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000063628519 541175355 /nfs/dbraw/zinc/17/53/55/541175355.db2.gz CZEJFVHHOAZJPC-UHFFFAOYSA-N -1 0 369.370 2.366 50 0 FEAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccccc3)cc2n(C)c1=O ZINC000064775626 541217860 /nfs/dbraw/zinc/21/78/60/541217860.db2.gz JCXFQJYTGZRXLQ-UHFFFAOYSA-N -1 0 351.815 2.331 50 0 FEAARM CN(CC(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1)Cc1ccncc1 ZINC000072167312 541794001 /nfs/dbraw/zinc/79/40/01/541794001.db2.gz IZJJRZGPOUYXNU-MRXNPFEDSA-N -1 0 353.422 2.228 50 0 FEAARM C[C@H](Cn1cccn1)C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072435823 541813936 /nfs/dbraw/zinc/81/39/36/541813936.db2.gz GZTHEPUKONSFRS-OAHLLOKOSA-N -1 0 357.410 2.044 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CCc3ccccc3O1)C2 ZINC000072476800 541819399 /nfs/dbraw/zinc/81/93/99/541819399.db2.gz OCMRXBUCUWDHDY-GOSISDBHSA-N -1 0 369.421 2.026 50 0 FEAARM CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)[O-] ZINC000012896976 220040516 /nfs/dbraw/zinc/04/05/16/220040516.db2.gz XFRFANNACSSJLF-BZNIZROVSA-N -1 0 350.415 2.271 50 0 FEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000013005295 220051593 /nfs/dbraw/zinc/05/15/93/220051593.db2.gz MCSWJZPUYLPVAK-HUUCEWRRSA-N -1 0 353.382 2.281 50 0 FEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 ZINC000013358534 220064767 /nfs/dbraw/zinc/06/47/67/220064767.db2.gz DDELGMCWQKSMIQ-UHFFFAOYSA-N -1 0 350.396 2.260 50 0 FEAARM CC(=O)Nc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)ccc1[O-] ZINC000014018465 220102915 /nfs/dbraw/zinc/10/29/15/220102915.db2.gz SNUVMQZJNLCORG-UHFFFAOYSA-N -1 0 374.344 2.473 50 0 FEAARM COc1cc2[n-]c(O)c(C(=O)NCc3ccccc3)c(=O)c2cc1OC ZINC000017029029 220200262 /nfs/dbraw/zinc/20/02/62/220200262.db2.gz KGOUPEHRNZQCAY-UHFFFAOYSA-N -1 0 354.362 2.181 50 0 FEAARM Cc1c(NC=C2C(=O)NC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000018251582 220230375 /nfs/dbraw/zinc/23/03/75/220230375.db2.gz OHPDKTSOPUCTNY-SFQUDFHCSA-N -1 0 374.400 2.207 50 0 FEAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468373 220386277 /nfs/dbraw/zinc/38/62/77/220386277.db2.gz YVASKMLRCNGAPQ-HNNXBMFYSA-N -1 0 357.483 2.450 50 0 FEAARM Cc1cc(=O)oc2c1ccc([O-])c2NC(=O)C(=O)NCCc1ccccc1 ZINC000049543575 221024553 /nfs/dbraw/zinc/02/45/53/221024553.db2.gz YEISBLIZTGLLSK-UHFFFAOYSA-N -1 0 366.373 2.104 50 0 FEAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ncccc2C)CC1 ZINC000055099935 221058432 /nfs/dbraw/zinc/05/84/32/221058432.db2.gz SFWYJJIXLKMUNB-IBGZPJMESA-N -1 0 373.428 2.481 50 0 FEAARM Cc1ccc([C@@H](CC(=O)NCCc2n[nH]c(=O)[n-]2)c2ccccc2)cc1 ZINC000055036515 221057086 /nfs/dbraw/zinc/05/70/86/221057086.db2.gz WHPYBMLOSJGFDM-KRWDZBQOSA-N -1 0 350.422 2.287 50 0 FEAARM Cc1nnsc1C(=O)[N-]c1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000062022962 221138780 /nfs/dbraw/zinc/13/87/80/221138780.db2.gz NPUXDZOPSLXGRG-SNVBAGLBSA-N -1 0 370.394 2.002 50 0 FEAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(CC)nc(C)n3c2)cc1 ZINC000065247053 221186727 /nfs/dbraw/zinc/18/67/27/221186727.db2.gz WUEYBQVFBSUGIV-UHFFFAOYSA-N -1 0 360.439 2.188 50 0 FEAARM NC(=O)[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000066051683 221239576 /nfs/dbraw/zinc/23/95/76/221239576.db2.gz ZGFKSBOPBVGCMB-LBPRGKRZSA-N -1 0 350.777 2.259 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2F)cc2c1OCCO2 ZINC000067124765 221247402 /nfs/dbraw/zinc/24/74/02/221247402.db2.gz AXXUPRDSMGYVAJ-UHFFFAOYSA-N -1 0 371.317 2.235 50 0 FEAARM COc1ccc(C)cc1-n1c(Cn2ccnc2)nnc1SCC(=O)[O-] ZINC000067459782 221255304 /nfs/dbraw/zinc/25/53/04/221255304.db2.gz SFGQQYBZQFAIMG-UHFFFAOYSA-N -1 0 359.411 2.006 50 0 FEAARM CN(C)[C@@H](C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1 ZINC000067946903 221306522 /nfs/dbraw/zinc/30/65/22/221306522.db2.gz SABPYBFIIYUETK-OAHLLOKOSA-N -1 0 374.441 2.385 50 0 FEAARM CC(C)CCNC(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071285120 221339497 /nfs/dbraw/zinc/33/94/97/221339497.db2.gz LZIKEYWPBPZEDP-UHFFFAOYSA-N -1 0 356.382 2.203 50 0 FEAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc(F)ccc2F)c1 ZINC000071498004 221349834 /nfs/dbraw/zinc/34/98/34/221349834.db2.gz ANBYEVILMMHOSB-UHFFFAOYSA-N -1 0 371.361 2.255 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000071846859 221382329 /nfs/dbraw/zinc/38/23/29/221382329.db2.gz CSWTYMKTCGEGDW-HOTGVXAUSA-N -1 0 374.462 2.481 50 0 FEAARM COc1ccc(Br)c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299746828 533256457 /nfs/dbraw/zinc/25/64/57/533256457.db2.gz BHAVFFUYAVBRIQ-UHFFFAOYSA-N -1 0 372.215 2.164 50 0 FEAARM COc1ccccc1N1CCN(C(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])CC1 ZINC000006715807 132833906 /nfs/dbraw/zinc/83/39/06/132833906.db2.gz NADFWDGQWYLOPC-NRERDWFFSA-N -1 0 372.465 2.481 50 0 FEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC000091326172 542804519 /nfs/dbraw/zinc/80/45/19/542804519.db2.gz ASYNLXZOMFGQJG-IBGZPJMESA-N -1 0 364.442 2.232 50 0 FEAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2 ZINC000091769516 542824670 /nfs/dbraw/zinc/82/46/70/542824670.db2.gz KUSXLCNGZARLTR-HNNXBMFYSA-N -1 0 373.453 2.074 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1c1cccnc1 ZINC000091808616 542827076 /nfs/dbraw/zinc/82/70/76/542827076.db2.gz VUZUOURUBYZEMO-DLBZAZTESA-N -1 0 362.389 2.412 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)CCc3[nH]nc(C)c3C)C[C@H]2C(=O)[O-])c1 ZINC000091873067 542829964 /nfs/dbraw/zinc/82/99/64/542829964.db2.gz GXRIBBAADSMRLT-DLBZAZTESA-N -1 0 371.437 2.295 50 0 FEAARM CC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000095369502 542962039 /nfs/dbraw/zinc/96/20/39/542962039.db2.gz GXWLIHCIEXXMPR-KRWDZBQOSA-N -1 0 361.419 2.172 50 0 FEAARM Cc1cc(S(=O)(=O)N2CCOc3ccccc32)ccc1OCC(=O)[O-] ZINC000058377391 136131775 /nfs/dbraw/zinc/13/17/75/136131775.db2.gz MVRUEBCTTHLENV-UHFFFAOYSA-N -1 0 363.391 2.046 50 0 FEAARM CNc1ccnc(N2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)n1 ZINC000072425810 136146505 /nfs/dbraw/zinc/14/65/05/136146505.db2.gz HBNOZCWTBGAJGS-UHFFFAOYSA-N -1 0 358.398 2.030 50 0 FEAARM Cc1nccnc1N1CCC(Oc2ccc3c(c2)OCO3)(C(=O)[O-])CC1 ZINC000072435909 136147390 /nfs/dbraw/zinc/14/73/90/136147390.db2.gz OYRGLTYIIOJQIU-UHFFFAOYSA-N -1 0 357.366 2.016 50 0 FEAARM CCC(=O)Nc1cccc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000095425568 542969313 /nfs/dbraw/zinc/96/93/13/542969313.db2.gz QVKRGOIUACCPAF-UHFFFAOYSA-N -1 0 370.405 2.471 50 0 FEAARM Cn1cc(CC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)c2ccccc21 ZINC000095453984 542970831 /nfs/dbraw/zinc/97/08/31/542970831.db2.gz OCJGYYLXWLYFGQ-MRXNPFEDSA-N -1 0 366.421 2.479 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1 ZINC000095463872 542971651 /nfs/dbraw/zinc/97/16/51/542971651.db2.gz CPKBOIVBLGMUNF-GFCCVEGCSA-N -1 0 355.272 2.321 50 0 FEAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000095504124 542975043 /nfs/dbraw/zinc/97/50/43/542975043.db2.gz IWAPVKOGQXLIJL-FQEVSTJZSA-N -1 0 355.438 2.402 50 0 FEAARM Cc1ccc(C(=O)[O-])c(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)n1 ZINC000095511377 542977203 /nfs/dbraw/zinc/97/72/03/542977203.db2.gz KKQWKJDIXODNHR-GOEBONIOSA-N -1 0 366.421 2.111 50 0 FEAARM CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000095954159 542983872 /nfs/dbraw/zinc/98/38/72/542983872.db2.gz ABKYGECCVSVDPW-OAHLLOKOSA-N -1 0 370.377 2.268 50 0 FEAARM O=C1CCCN1Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000098052218 543019161 /nfs/dbraw/zinc/01/91/61/543019161.db2.gz PAESHHTXUBEJJG-UHFFFAOYSA-N -1 0 370.434 2.486 50 0 FEAARM COc1ccc2[nH]c3c([n-]c(=S)n(CC(=O)N4CCCC4)c3=O)c2c1 ZINC000101497668 543027891 /nfs/dbraw/zinc/02/78/91/543027891.db2.gz LGDGYYYFOYPQAA-UHFFFAOYSA-N -1 0 358.423 2.171 50 0 FEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000072438381 221529637 /nfs/dbraw/zinc/52/96/37/221529637.db2.gz OUPAOCYJBPOZSN-OAHLLOKOSA-N -1 0 351.374 2.219 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccnc2)c(C)c1C ZINC000127922575 544021978 /nfs/dbraw/zinc/02/19/78/544021978.db2.gz MDVKROLBYAZZHY-LSDHHAIUSA-N -1 0 360.435 2.316 50 0 FEAARM COCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000092028197 221828057 /nfs/dbraw/zinc/82/80/57/221828057.db2.gz FUHWYMJSEOJKQM-MRXNPFEDSA-N -1 0 359.419 2.026 50 0 FEAARM COc1cccc([C@@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)c1 ZINC000095360420 221860923 /nfs/dbraw/zinc/86/09/23/221860923.db2.gz RXRDKJFNCTXZCT-KRWDZBQOSA-N -1 0 361.467 2.404 50 0 FEAARM Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095386592 221892608 /nfs/dbraw/zinc/89/26/08/221892608.db2.gz XGMKLSNJVPUYHK-AWEZNQCLSA-N -1 0 362.426 2.249 50 0 FEAARM O=C([O-])[C@@H](Cc1ccco1)NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000095498533 221923977 /nfs/dbraw/zinc/92/39/77/221923977.db2.gz WIGRKELVEXMVEZ-CQSZACIVSA-N -1 0 355.350 2.074 50 0 FEAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@@H]1O ZINC000095993558 221986195 /nfs/dbraw/zinc/98/61/95/221986195.db2.gz BUJOZRWSCWJQEM-HIFRSBDPSA-N -1 0 372.462 2.066 50 0 FEAARM COC(=O)C[C@H](c1c([O-])nc2ccc(Br)cn2c1=O)C(C)C ZINC000096232449 222093253 /nfs/dbraw/zinc/09/32/53/222093253.db2.gz NQISRQDSTURICL-JTQLQIEISA-N -1 0 369.215 2.465 50 0 FEAARM O=C([O-])COc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 ZINC000096635096 222125821 /nfs/dbraw/zinc/12/58/21/222125821.db2.gz PGBCTIHFWHVRJL-VGOFMYFVSA-N -1 0 367.313 2.223 50 0 FEAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccnc(F)c1 ZINC000097000586 222149166 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354.406 2.284 50 0 FEAARM Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC000151113802 544507335 /nfs/dbraw/zinc/50/73/35/544507335.db2.gz AEDLAAULUKYUEQ-SECBINFHSA-N -1 0 368.796 2.395 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000152364931 544643799 /nfs/dbraw/zinc/64/37/99/544643799.db2.gz UIHLOZZQSACYRG-VXGBXAGGSA-N -1 0 371.340 2.104 50 0 FEAARM O=C(N[C@H](CCn1cncn1)c1ccccc1)c1[n-]c(=O)nc2ccccc21 ZINC000426510557 263614656 /nfs/dbraw/zinc/61/46/56/263614656.db2.gz BDGFOWKUBFULCL-MRXNPFEDSA-N -1 0 374.404 2.488 50 0 FEAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000238027337 328538501 /nfs/dbraw/zinc/53/85/01/328538501.db2.gz CMCXOYQSZCKAML-OAHLLOKOSA-N -1 0 362.401 2.001 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000248512383 328723650 /nfs/dbraw/zinc/72/36/50/328723650.db2.gz CKUADUVWTUTDOU-JQFCIGGWSA-N -1 0 371.437 2.423 50 0 FEAARM 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548872884 /nfs/dbraw/zinc/87/28/84/548872884.db2.gz KUTOWXAGWHUVGO-AWEZNQCLSA-N -1 0 372.446 2.410 50 0 FEAARM O=C([O-])C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000238030355 548873497 /nfs/dbraw/zinc/87/34/97/548873497.db2.gz CMCXOYQSZCKAML-HNNXBMFYSA-N -1 0 362.401 2.001 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000238102302 548877877 /nfs/dbraw/zinc/87/78/77/548877877.db2.gz CLHAQMJEUMIALG-JTQLQIEISA-N -1 0 364.199 2.182 50 0 FEAARM Cc1ccc2[nH]cc(CCC(=O)[N-]S(=O)(=O)c3ncccc3F)c2c1 ZINC000252492391 549668664 /nfs/dbraw/zinc/66/86/64/549668664.db2.gz MKVCHFYJEPKQCX-UHFFFAOYSA-N -1 0 361.398 2.448 50 0 FEAARM O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000257176226 549711498 /nfs/dbraw/zinc/71/14/98/549711498.db2.gz SEIKDTDHFDMHHA-UHFFFAOYSA-N -1 0 367.327 2.251 50 0 FEAARM Cc1oc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000263001395 549870101 /nfs/dbraw/zinc/87/01/01/549870101.db2.gz PVYQLAXXOZGLSW-HUUCEWRRSA-N -1 0 357.362 2.477 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COc1ccc(/C=C\C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1OC ZINC000606442037 600964308 /nfs/dbraw/zinc/96/43/08/600964308.db2.gz ZHJCGWUNNQJVHI-XQRVVYSFSA-N -1 0 363.410 2.199 50 0 FEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000191647605 672672160 /nfs/dbraw/zinc/67/21/60/672672160.db2.gz UITBYLDTKMMLQT-HNNXBMFYSA-N -1 0 352.818 2.231 50 0 FEAARM CCCS(=O)(=O)Nc1cc(NC(=O)C(C)(C)C(=O)[O-])c(F)cc1F ZINC000649461451 677331199 /nfs/dbraw/zinc/33/11/99/677331199.db2.gz BDMWSLBFQJGMKT-UHFFFAOYSA-N -1 0 364.370 2.166 50 0 FEAARM COc1cccc([C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C(=O)[O-])c1 ZINC000659173056 939848714 /nfs/dbraw/zinc/84/87/14/939848714.db2.gz AAKPSVCZADWNDS-SFHVURJKSA-N -1 0 368.389 2.160 50 0 FEAARM CCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-] ZINC000002123729 539344899 /nfs/dbraw/zinc/34/48/99/539344899.db2.gz MGKIVAFTMPEAKQ-LBPRGKRZSA-N -1 0 367.785 2.372 50 0 biogenic FEAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002152232 539345743 /nfs/dbraw/zinc/34/57/43/539345743.db2.gz NGTMPSSETFGIGO-RYUDHWBXSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccccc2F)c1 ZINC000002791765 539354142 /nfs/dbraw/zinc/35/41/42/539354142.db2.gz HVLVESDFSUKKPX-UHFFFAOYSA-N -1 0 350.375 2.476 50 0 FEAARM O=C([O-])c1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000002701319 539351814 /nfs/dbraw/zinc/35/18/14/539351814.db2.gz SAXYMWVFNCKOES-UHFFFAOYSA-N -1 0 355.379 2.091 50 0 FEAARM Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000003339093 539363513 /nfs/dbraw/zinc/36/35/13/539363513.db2.gz YBLGWTYFMQOPIC-UHFFFAOYSA-N -1 0 357.395 2.170 50 0 FEAARM COc1ccc(-n2c(CCC(=O)[O-])nc3ccccc3c2=O)c(OC)c1 ZINC000003335084 539363918 /nfs/dbraw/zinc/36/39/18/539363918.db2.gz ULLHDUFPHRLHAK-UHFFFAOYSA-N -1 0 354.362 2.420 50 0 FEAARM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(C(=O)[O-])cc1 ZINC000004521222 539387620 /nfs/dbraw/zinc/38/76/20/539387620.db2.gz PVMDAMXGKHIMSQ-YDHLFZDLSA-N -1 0 363.439 2.049 50 0 in-vitro FEAARM COc1cccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)c1OC ZINC000004600454 539388984 /nfs/dbraw/zinc/38/89/84/539388984.db2.gz UHGMBJTXQFBWSG-HNNXBMFYSA-N -1 0 367.409 2.490 50 0 FEAARM COc1cccc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)c1OC ZINC000004600455 539389324 /nfs/dbraw/zinc/38/93/24/539389324.db2.gz UHGMBJTXQFBWSG-OAHLLOKOSA-N -1 0 367.409 2.490 50 0 FEAARM O=C([O-])[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005347367 539409416 /nfs/dbraw/zinc/40/94/16/539409416.db2.gz LCYSZGKKPCMNIQ-JFBXQDQPSA-N -1 0 374.418 2.189 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1 ZINC000006280294 539424886 /nfs/dbraw/zinc/42/48/86/539424886.db2.gz UQFAFQAARVMAMQ-QGZVFWFLSA-N -1 0 361.394 2.268 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 ZINC000006668647 539433989 /nfs/dbraw/zinc/43/39/89/539433989.db2.gz OFWHSYOFQZAMFH-UHFFFAOYSA-N -1 0 371.422 2.145 50 0 FEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000008429416 539486943 /nfs/dbraw/zinc/48/69/43/539486943.db2.gz RMKLFNPITJYTML-INIZCTEOSA-N -1 0 361.419 2.344 50 0 FEAARM COc1cc2c(cc1OC)CN(C(=O)NCCCCCC(=O)[O-])CC2 ZINC000008764419 539491754 /nfs/dbraw/zinc/49/17/54/539491754.db2.gz OIFMSEITKXMPJM-UHFFFAOYSA-N -1 0 350.415 2.417 50 0 FEAARM CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)[nH]1 ZINC000222648751 222744633 /nfs/dbraw/zinc/74/46/33/222744633.db2.gz IUMUNWCGRYSXOA-NVXWUHKLSA-N -1 0 358.394 2.242 50 0 FEAARM O=C(COc1ccccc1/C=C1\NC(=O)[N-]C1=O)Nc1ccc(F)cc1 ZINC000012338891 539556301 /nfs/dbraw/zinc/55/63/01/539556301.db2.gz NFANZIKEJYUCLM-ZROIWOOFSA-N -1 0 355.325 2.024 50 0 FEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1noc(-c2ccco2)n1 ZINC000023946574 539722130 /nfs/dbraw/zinc/72/21/30/539722130.db2.gz LXECLNXMNYCLEM-UHFFFAOYSA-N -1 0 363.351 2.058 50 0 FEAARM CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)c1 ZINC000025480288 539761179 /nfs/dbraw/zinc/76/11/79/539761179.db2.gz PJSMLTJDHWZCPL-QGZVFWFLSA-N -1 0 366.373 2.260 50 0 FEAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000953564 219347058 /nfs/dbraw/zinc/34/70/58/219347058.db2.gz QUWHLOBHPRYVHJ-NSHDSACASA-N -1 0 351.380 2.239 50 0 FEAARM O=C([O-])[C@@H](CCC(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O ZINC000000986849 219350371 /nfs/dbraw/zinc/35/03/71/219350371.db2.gz RBSBNKCIVNLPKN-MRXNPFEDSA-N -1 0 372.421 2.355 50 0 FEAARM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001063469 219361727 /nfs/dbraw/zinc/36/17/27/219361727.db2.gz GFDNVPYRZKKDBP-HUUCEWRRSA-N -1 0 368.455 2.203 50 0 FEAARM O=C(COc1ccccc1/C=C1/NC(=O)[N-]C1=O)Nc1ccc(F)cc1 ZINC000001146230 219380353 /nfs/dbraw/zinc/38/03/53/219380353.db2.gz NFANZIKEJYUCLM-NTEUORMPSA-N -1 0 355.325 2.024 50 0 FEAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nnc(C)s1 ZINC000027756987 539816145 /nfs/dbraw/zinc/81/61/45/539816145.db2.gz NPTTVSLKYMFUFL-UHFFFAOYSA-N -1 0 364.246 2.418 50 0 FEAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c12 ZINC000002112953 219426952 /nfs/dbraw/zinc/42/69/52/219426952.db2.gz YDLMELFXYPSBPD-RYUDHWBXSA-N -1 0 361.394 2.411 50 0 biogenic FEAARM CCc1nn2c(nnc3c2ccn([C@H](C)C(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040388384 540009754 /nfs/dbraw/zinc/00/97/54/540009754.db2.gz ZPCMLAGSWUTOSQ-LLVKDONJSA-N -1 0 363.377 2.314 50 0 FEAARM Cc1nn2c(nnc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 ZINC000040391965 540009866 /nfs/dbraw/zinc/00/98/66/540009866.db2.gz YEKZJOYEEPGKJB-UHFFFAOYSA-N -1 0 367.340 2.028 50 0 FEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cnn1-c1ccccc1C ZINC000237735780 222910211 /nfs/dbraw/zinc/91/02/11/222910211.db2.gz UBHZVRSXRBCNBG-UHFFFAOYSA-N -1 0 357.410 2.195 50 0 FEAARM O=C([N-]S(=O)(=O)c1cccs1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000042243218 540056730 /nfs/dbraw/zinc/05/67/30/540056730.db2.gz LCOHVNVALPVUPE-CQSZACIVSA-N -1 0 367.448 2.425 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2ccc(C)c(OC)c2)c1 ZINC000042297698 540057972 /nfs/dbraw/zinc/05/79/72/540057972.db2.gz PIXZKGMBACEIPY-UHFFFAOYSA-N -1 0 365.407 2.140 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004019339 219534636 /nfs/dbraw/zinc/53/46/36/219534636.db2.gz TUGXODAQEQOHAK-UHFFFAOYSA-N -1 0 354.428 2.101 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)CCCc2ccc(Br)s2)CCO1 ZINC000043701106 540106601 /nfs/dbraw/zinc/10/66/01/540106601.db2.gz BASLQRQSVVUTPS-SNVBAGLBSA-N -1 0 362.245 2.145 50 0 FEAARM O=C(Cc1csc([N-]c2ncccn2)n1)NCc1nc2ccccc2[nH]1 ZINC000044227637 540120556 /nfs/dbraw/zinc/12/05/56/540120556.db2.gz SSVTZFZPWKFLLN-UHFFFAOYSA-N -1 0 365.422 2.412 50 0 FEAARM COc1cc(S(=O)(=O)Nc2c(F)cccc2F)cc(C(=O)[O-])c1OC ZINC000045946457 540235434 /nfs/dbraw/zinc/23/54/34/540235434.db2.gz SXPQSYLBRNAONG-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM CS(=O)(=O)Cc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000299743490 223079903 /nfs/dbraw/zinc/07/99/03/223079903.db2.gz NUSBQDDRAMRLID-IMJJTQAJSA-N -1 0 365.451 2.089 50 0 FEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12 ZINC000008856366 219870942 /nfs/dbraw/zinc/87/09/42/219870942.db2.gz VDOKWIVLGJZAIF-QGZVFWFLSA-N -1 0 361.394 2.268 50 0 FEAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccccc1OC(F)(F)C(F)F ZINC000072406962 541805645 /nfs/dbraw/zinc/80/56/45/541805645.db2.gz JKKPPMXBLLTZGG-VIFPVBQESA-N -1 0 365.279 2.239 50 0 FEAARM COc1ccc(C(=O)OC(C)C)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000072404129 541805870 /nfs/dbraw/zinc/80/58/70/541805870.db2.gz FVPNZHUXISYDOB-UHFFFAOYSA-N -1 0 359.338 2.001 50 0 FEAARM Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c(=O)n(C)c1C ZINC000072424695 541810187 /nfs/dbraw/zinc/81/01/87/541810187.db2.gz UAUUKPNBOIROSF-INIZCTEOSA-N -1 0 368.433 2.405 50 0 FEAARM CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(C)c1C ZINC000013259498 220062195 /nfs/dbraw/zinc/06/21/95/220062195.db2.gz CXPXQEACPYSVOU-UHFFFAOYSA-N -1 0 362.407 2.162 50 0 FEAARM Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013268687 220062982 /nfs/dbraw/zinc/06/29/82/220062982.db2.gz VYLZRNSVEHBCHU-MRXNPFEDSA-N -1 0 371.418 2.186 50 0 FEAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cnn(-c3ccccc3)c1)C2=O ZINC000014701159 220129398 /nfs/dbraw/zinc/12/93/98/220129398.db2.gz YXCGBFDUZQKQCU-UHFFFAOYSA-N -1 0 367.409 2.018 50 0 FEAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCCC(=O)[O-])cc1 ZINC000015746204 220163955 /nfs/dbraw/zinc/16/39/55/220163955.db2.gz CUJKZMRHLZFVJM-NTCAYCPXSA-N -1 0 372.377 2.040 50 0 FEAARM CCCOC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000017075723 220205902 /nfs/dbraw/zinc/20/59/02/220205902.db2.gz XYVKIYVPZBZVFM-SNVBAGLBSA-N -1 0 369.439 2.479 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000018322815 220231849 /nfs/dbraw/zinc/23/18/49/220231849.db2.gz XIMMATPRDOJDLD-UHFFFAOYSA-N -1 0 367.354 2.200 50 0 FEAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458956 220386577 /nfs/dbraw/zinc/38/65/77/220386577.db2.gz UTNSYSHBCDRBIQ-CQSZACIVSA-N -1 0 361.446 2.281 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2Cc3ccccc3O2)cc1OC ZINC000299363734 533178255 /nfs/dbraw/zinc/17/82/55/533178255.db2.gz NTBOSDXZNSDZER-KBXCAEBGSA-N -1 0 371.389 2.340 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(C)cc1 ZINC000042289815 220938329 /nfs/dbraw/zinc/93/83/29/220938329.db2.gz RXFOYXGRUYBYDC-UHFFFAOYSA-N -1 0 350.396 2.068 50 0 FEAARM COc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cc(C(=O)[O-])c1OC ZINC000055651115 221072522 /nfs/dbraw/zinc/07/25/22/221072522.db2.gz SYHCTGHMZKQVHI-UHFFFAOYSA-N -1 0 369.370 2.366 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)cc2c1OCCO2 ZINC000057115615 221083840 /nfs/dbraw/zinc/08/38/40/221083840.db2.gz RMNIQUPRYCECBQ-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM CCn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC)n1 ZINC000057280294 221085600 /nfs/dbraw/zinc/08/56/00/221085600.db2.gz VEGWRKAQPLIJKF-UHFFFAOYSA-N -1 0 362.455 2.348 50 0 FEAARM COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117864 221139523 /nfs/dbraw/zinc/13/95/23/221139523.db2.gz MRTBNVZYWBXSHL-XGQHYKRYSA-N -1 0 354.200 2.404 50 0 FEAARM Cc1c(NC(=O)CC2(C(=O)[O-])CCCC2)cccc1C(=O)N1CCOCC1 ZINC000067456159 221254704 /nfs/dbraw/zinc/25/47/04/221254704.db2.gz IJFUTUHZMXWDNK-UHFFFAOYSA-N -1 0 374.437 2.441 50 0 FEAARM CCn1nccc1-c1nnc(SCC(=O)[O-])n1-c1cccc(OC)c1 ZINC000067458441 221256023 /nfs/dbraw/zinc/25/60/23/221256023.db2.gz HSBZGMGQKAVEJU-UHFFFAOYSA-N -1 0 359.411 2.336 50 0 FEAARM COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000070666363 221334007 /nfs/dbraw/zinc/33/40/07/221334007.db2.gz UWFGSLFOSRGZIM-NWDGAFQWSA-N -1 0 360.366 2.258 50 0 FEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000071284585 221339353 /nfs/dbraw/zinc/33/93/53/221339353.db2.gz KURYWWLVUKCXSK-SJORKVTESA-N -1 0 373.453 2.406 50 0 FEAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc(F)c2F)c1 ZINC000071760449 221368125 /nfs/dbraw/zinc/36/81/25/221368125.db2.gz OLKMDULKHKYUCO-UHFFFAOYSA-N -1 0 371.361 2.255 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1ccccc1)CCN(C(=O)C1CC1)CC2 ZINC000072420177 221508151 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Cc1ccc(-c2csc(NC(=O)CCn3[n-]c(=O)ccc3=O)n2)cc1C ZINC000014169845 220111918 /nfs/dbraw/zinc/11/19/18/220111918.db2.gz UNCRBAAYJNYMOY-UHFFFAOYSA-N -1 0 370.434 2.306 50 0 FEAARM CCc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)n2nc(C)cc2C)cc1 ZINC000015829274 220166258 /nfs/dbraw/zinc/16/62/58/220166258.db2.gz CMSIABFKSRMIQG-UHFFFAOYSA-N -1 0 373.438 2.275 50 0 FEAARM CC(C)c1ccc(Cc2n[n-]c(NCCCN3CCOCC3)nc2=O)cc1 ZINC000016806921 220194901 /nfs/dbraw/zinc/19/49/01/220194901.db2.gz PITGGBOPLJRWSS-UHFFFAOYSA-N -1 0 371.485 2.013 50 0 FEAARM C[C@H](Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1)C(=O)[O-] ZINC000017299722 220212078 /nfs/dbraw/zinc/21/20/78/220212078.db2.gz GCNMWPSHBPUACZ-OKHBPPCESA-N -1 0 366.398 2.309 50 0 FEAARM CC(C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077380503 542375533 /nfs/dbraw/zinc/37/55/33/542375533.db2.gz IPJVVLJMLAEXKY-UHFFFAOYSA-N -1 0 359.451 2.423 50 0 FEAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1ccnc(C)n1)CC2 ZINC000299740055 533172229 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357.410 2.074 50 0 FEAARM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)N1CCc2ccccc2C1 ZINC000392248774 558616860 /nfs/dbraw/zinc/61/68/60/558616860.db2.gz BPNBXOBQWQFHEJ-UHFFFAOYSA-N -1 0 358.419 2.050 50 0 FEAARM Cc1cccc([C@@H](NC(=O)N2CCN(Cc3cccnc3)CC2)C(=O)[O-])c1 ZINC000426517815 559736524 /nfs/dbraw/zinc/73/65/24/559736524.db2.gz IPYQGUUJXVMDEW-GOSISDBHSA-N -1 0 368.437 2.043 50 0 FEAARM CC(C)c1nc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)n(C)n1 ZINC000110094730 570577078 /nfs/dbraw/zinc/57/70/78/570577078.db2.gz WMRPRFVWXOTEGV-UHFFFAOYSA-N -1 0 371.422 2.458 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000583650484 570812073 /nfs/dbraw/zinc/81/20/73/570812073.db2.gz COJAUXLQPRNXTN-UGFHNGPFSA-N -1 0 372.450 2.387 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC000685940277 571099895 /nfs/dbraw/zinc/09/98/95/571099895.db2.gz CDLISTMCJSRNSL-GGPWXBTFSA-N -1 0 358.373 2.041 50 0 FEAARM COc1cccc(N2CCN(C(=O)[C@H]3[C@H](C(=O)[O-])[C@H]4C=C[C@@H]3CC4)CC2)c1 ZINC000670425458 571342829 /nfs/dbraw/zinc/34/28/29/571342829.db2.gz CXUSPUIUBRUPNC-WTLGNFPFSA-N -1 0 370.449 2.257 50 0 FEAARM O=C([O-])[C@H](NC(=O)N1CCC(CCN2CCCC2=O)CC1)c1ccccc1 ZINC000670445199 571350535 /nfs/dbraw/zinc/35/05/35/571350535.db2.gz UBYLOKPHEYTNCF-GOSISDBHSA-N -1 0 373.453 2.246 50 0 FEAARM O=C([O-])[C@H]1CC(=O)N(C2CCN(c3ncc(C(F)(F)F)s3)CC2)C1 ZINC000650775150 677388944 /nfs/dbraw/zinc/38/89/44/677388944.db2.gz NUUWYUQQMHKDGW-QMMMGPOBSA-N -1 0 363.361 2.064 50 0 FEAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000001141457 539339243 /nfs/dbraw/zinc/33/92/43/539339243.db2.gz WWHWFYHTROZLRC-UHFFFAOYSA-N -1 0 365.407 2.356 50 0 FEAARM COc1ccc(-c2nc(CN3CCC[C@@H]3c3n[nH]c(=O)[n-]3)c(C)o2)cc1 ZINC000011843450 539537659 /nfs/dbraw/zinc/53/76/59/539537659.db2.gz FKUPHBIVUSSXKR-OAHLLOKOSA-N -1 0 355.398 2.407 50 0 FEAARM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)s2)ccc1C ZINC000012605761 539567642 /nfs/dbraw/zinc/56/76/42/539567642.db2.gz BXDCIIJROXNBPL-UHFFFAOYSA-N -1 0 360.482 2.074 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)cc1 ZINC000012606651 539568214 /nfs/dbraw/zinc/56/82/14/539568214.db2.gz QCGGBQKWXRVUDP-UHFFFAOYSA-N -1 0 361.301 2.104 50 0 FEAARM CC(=O)Nc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000012877805 539577406 /nfs/dbraw/zinc/57/74/06/539577406.db2.gz FDSRUCBDEGWIRI-UHFFFAOYSA-N -1 0 356.407 2.215 50 0 FEAARM C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000013199347 539584191 /nfs/dbraw/zinc/58/41/91/539584191.db2.gz BUCRLKLLCWDACB-GFCCVEGCSA-N -1 0 372.406 2.005 50 0 FEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000013258017 539585045 /nfs/dbraw/zinc/58/50/45/539585045.db2.gz MDMVQVUJNHWKTP-MRXNPFEDSA-N -1 0 361.419 2.344 50 0 FEAARM COc1ccc(CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1OC ZINC000013435361 539587051 /nfs/dbraw/zinc/58/70/51/539587051.db2.gz QXBQZXRYCMVOLO-QGZVFWFLSA-N -1 0 357.362 2.125 50 0 FEAARM CC(=O)Nc1cccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1 ZINC000014632477 539604130 /nfs/dbraw/zinc/60/41/30/539604130.db2.gz CWSXGJMVGLXKHU-GJZGRUSLSA-N -1 0 364.398 2.486 50 0 FEAARM CCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(C)c(C)c1)c2=O ZINC000015942097 539625334 /nfs/dbraw/zinc/62/53/34/539625334.db2.gz DCFHHCKLTYBWPJ-UHFFFAOYSA-N -1 0 361.427 2.118 50 0 FEAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000016227550 539628910 /nfs/dbraw/zinc/62/89/10/539628910.db2.gz YSFHLMNRYQBXNJ-UHFFFAOYSA-N -1 0 369.370 2.123 50 0 FEAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000016249207 539629276 /nfs/dbraw/zinc/62/92/76/539629276.db2.gz YKOWXWXNYXNOGR-UHFFFAOYSA-N -1 0 353.469 2.233 50 0 FEAARM C[C@H](CC(=O)NCc1ccco1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826806 539623850 /nfs/dbraw/zinc/62/38/50/539623850.db2.gz XESQWGCBSPUCHK-LBPRGKRZSA-N -1 0 361.423 2.334 50 0 FEAARM COC(=O)[C@]([N-]c1nc2c(cccc2F)s1)(NC(C)=O)C(F)(F)F ZINC000016977311 539638165 /nfs/dbraw/zinc/63/81/65/539638165.db2.gz FLZVVXPKOSHKAY-GFCCVEGCSA-N -1 0 365.308 2.415 50 0 FEAARM CCCOC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017075722 539638973 /nfs/dbraw/zinc/63/89/73/539638973.db2.gz XYVKIYVPZBZVFM-JTQLQIEISA-N -1 0 369.439 2.479 50 0 FEAARM CCc1c(C)sc(NC(=O)COCC(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017075573 539639208 /nfs/dbraw/zinc/63/92/08/539639208.db2.gz YBYKYUQVZLWLNX-UHFFFAOYSA-N -1 0 368.455 2.331 50 0 FEAARM O=C(c1csc(S(=O)(=O)NCc2ccccc2)c1)N1CCCC1 ZINC000035449087 539982443 /nfs/dbraw/zinc/98/24/43/539982443.db2.gz KQYMMWUJNBUKEE-UHFFFAOYSA-N -1 0 350.465 2.463 50 0 FEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000058776577 540855760 /nfs/dbraw/zinc/85/57/60/540855760.db2.gz GKILMCCGQVFEHA-UHFFFAOYSA-N -1 0 367.386 2.305 50 0 FEAARM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000072122390 541784312 /nfs/dbraw/zinc/78/43/12/541784312.db2.gz KSHBTVROTPRWLN-INIZCTEOSA-N -1 0 361.419 2.218 50 0 FEAARM Cc1nn2c([n-]1)nc(CN1CCC[C@@H]1c1nc3cc(F)ccc3[nH]1)cc2=O ZINC000072147318 541788608 /nfs/dbraw/zinc/78/86/08/541788608.db2.gz LAYAIWQCEQTPED-OAHLLOKOSA-N -1 0 367.388 2.491 50 0 FEAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1noc(-c3ccccc3)n1)CC2 ZINC000072169939 541795368 /nfs/dbraw/zinc/79/53/68/541795368.db2.gz HSCJYKPMHWQCBY-OAHLLOKOSA-N -1 0 370.409 2.029 50 0 FEAARM O=C([O-])CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000001902516 204022163 /nfs/dbraw/zinc/02/21/63/204022163.db2.gz GTRXDLWUVNCUFR-UVZCHINQSA-N -1 0 350.374 2.215 50 0 biogenic FEAARM O=C(C[C@@H](Cc1ccccc1)C(=O)[O-])NCCc1ccc2c(c1)OCO2 ZINC000002944528 204070121 /nfs/dbraw/zinc/07/01/21/204070121.db2.gz TZQNOYYLGGWHHB-MRXNPFEDSA-N -1 0 355.390 2.408 50 0 biogenic FEAARM CC(C)(C)OC(=O)NCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002560782 204043890 /nfs/dbraw/zinc/04/38/90/204043890.db2.gz ONDKXCQPYFHZPA-ZDUSSCGKSA-N -1 0 352.387 2.281 50 0 FEAARM O=C([O-])c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000002627773 204048240 /nfs/dbraw/zinc/04/82/40/204048240.db2.gz HZWUWYUGWFLYHH-ZDUSSCGKSA-N -1 0 361.423 2.197 50 0 FEAARM O=S(=O)([O-])c1cc(Br)ccc1I ZINC000004375735 204135391 /nfs/dbraw/zinc/13/53/91/204135391.db2.gz TXEWYABDBRKQOV-UHFFFAOYSA-N -1 0 362.970 2.300 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000004523833 204143921 /nfs/dbraw/zinc/14/39/21/204143921.db2.gz UYXFMZOYTZMHFC-UHFFFAOYSA-N -1 0 366.370 2.430 50 0 FEAARM COc1cccc(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1OC ZINC000004550168 204145466 /nfs/dbraw/zinc/14/54/66/204145466.db2.gz XYMCWMSDYANSGB-CQSZACIVSA-N -1 0 367.409 2.490 50 0 FEAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1 ZINC000006381241 204247060 /nfs/dbraw/zinc/24/70/60/204247060.db2.gz WWXXWPRILUCXAK-ZDUSSCGKSA-N -1 0 371.372 2.321 50 0 FEAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCOCC1 ZINC000006438229 204248122 /nfs/dbraw/zinc/24/81/22/204248122.db2.gz RJPMSIVLJJWCPL-UHFFFAOYSA-N -1 0 352.437 2.021 50 0 FEAARM CC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2 ZINC000006764327 204266606 /nfs/dbraw/zinc/26/66/06/204266606.db2.gz RJWPBNIEFVGNLT-QMMMGPOBSA-N -1 0 354.428 2.151 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cn1C ZINC000006800549 204271713 /nfs/dbraw/zinc/27/17/13/204271713.db2.gz OMSJZZPYAQPOFB-UHFFFAOYSA-N -1 0 358.803 2.275 50 0 FEAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000009341251 204365211 /nfs/dbraw/zinc/36/52/11/204365211.db2.gz ONUGPBUIEFEFBM-GOSISDBHSA-N -1 0 369.402 2.397 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2ccccc2)c2nnn[n-]2)c(OC)c1 ZINC000009425731 204367141 /nfs/dbraw/zinc/36/71/41/204367141.db2.gz QLXXMGHCDGWFPK-HNNXBMFYSA-N -1 0 353.382 2.182 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009547879 204373614 /nfs/dbraw/zinc/37/36/14/204373614.db2.gz DZSCLCSLWPYHEE-CJNGLKHVSA-N -1 0 352.346 2.155 50 0 FEAARM COC(=O)CC(=Nc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000012323530 204451964 /nfs/dbraw/zinc/45/19/64/204451964.db2.gz JSLOMZBLMPFYBY-LFIBNONCSA-N -1 0 354.362 2.170 50 0 FEAARM CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000022875434 204789962 /nfs/dbraw/zinc/78/99/62/204789962.db2.gz WUEGHIJYVOITNP-INIZCTEOSA-N -1 0 350.440 2.210 50 0 FEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cn1C ZINC000032097074 204925667 /nfs/dbraw/zinc/92/56/67/204925667.db2.gz ALIOGSPFEGSVRQ-UHFFFAOYSA-N -1 0 374.422 2.204 50 0 FEAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(-n2cnnc2)c1 ZINC000033087382 204956090 /nfs/dbraw/zinc/95/60/90/204956090.db2.gz PLAIYFHUQHUQEW-UHFFFAOYSA-N -1 0 352.350 2.291 50 0 FEAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCSCC2)c2ccc(F)cc21 ZINC000036358268 205012455 /nfs/dbraw/zinc/01/24/55/205012455.db2.gz ICPYABLFROVPEI-INIZCTEOSA-N -1 0 366.414 2.430 50 0 FEAARM COc1cc([N-]S(C)(=O)=O)c(Oc2ccccc2)cc1C(=O)CN ZINC000039061176 205044229 /nfs/dbraw/zinc/04/42/29/205044229.db2.gz NDZLXMPZNXTVLW-UHFFFAOYSA-N -1 0 350.396 2.000 50 0 FEAARM CCCSc1ncc(Br)c(C(=O)NCCCC(=O)[O-])n1 ZINC000041157354 205090623 /nfs/dbraw/zinc/09/06/23/205090623.db2.gz LVACGEYHHYNGHI-UHFFFAOYSA-N -1 0 362.249 2.336 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 ZINC000042267224 205093895 /nfs/dbraw/zinc/09/38/95/205093895.db2.gz OOBFPOFSWJEHKP-UHFFFAOYSA-N -1 0 359.403 2.065 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=Cc2csc(C)n2)cc1 ZINC000042273144 205093953 /nfs/dbraw/zinc/09/39/53/205093953.db2.gz MQTSLNRUKWRNGW-VMPITWQZSA-N -1 0 350.421 2.172 50 0 FEAARM CCOc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000042289890 205094702 /nfs/dbraw/zinc/09/47/02/205094702.db2.gz PAXDLCYPSSEEGV-JXMROGBWSA-N -1 0 350.396 2.208 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000299741376 205123719 /nfs/dbraw/zinc/12/37/19/205123719.db2.gz FJVLJQSZXOWTGB-MWLCHTKSSA-N -1 0 371.220 2.279 50 0 FEAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000084507119 205124195 /nfs/dbraw/zinc/12/41/95/205124195.db2.gz ZPFJICBRZCHMCE-SECBINFHSA-N -1 0 353.318 2.213 50 0 FEAARM O=C([O-])CCNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000299750402 205133862 /nfs/dbraw/zinc/13/38/62/205133862.db2.gz NJUDOAFCULMBFS-UHFFFAOYSA-N -1 0 368.315 2.368 50 0 FEAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000048354140 205158987 /nfs/dbraw/zinc/15/89/87/205158987.db2.gz WGZMUIUHVAZBAU-UHFFFAOYSA-N -1 0 358.778 2.387 50 0 FEAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299750508 205132632 /nfs/dbraw/zinc/13/26/32/205132632.db2.gz NPVCMHDSUABXJV-GOSISDBHSA-N -1 0 370.405 2.438 50 0 FEAARM CC(C)(O)Cn1c(=O)n(Cc2ccc(F)cc2)c2ccc(C(=O)[O-])cc21 ZINC000055108225 205206905 /nfs/dbraw/zinc/20/69/05/205206905.db2.gz XRKZQJCYEATCIF-UHFFFAOYSA-N -1 0 358.369 2.460 50 0 FEAARM O=c1[n-]c(Cc2nc(-c3ccccc3)nn2-c2nccc3ccccc32)n[nH]1 ZINC000063884877 205295882 /nfs/dbraw/zinc/29/58/82/205295882.db2.gz MLJFGPGBYBAQLC-UHFFFAOYSA-N -1 0 369.388 2.485 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](c1cnn(-c3ccccc3C)c1)CC(=O)N2 ZINC000065374938 205340667 /nfs/dbraw/zinc/34/06/67/205340667.db2.gz TWLFWXDYONFMRO-CQSZACIVSA-N -1 0 365.393 2.244 50 0 FEAARM CC(C)Oc1cccc(C(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC000065372921 205340757 /nfs/dbraw/zinc/34/07/57/205340757.db2.gz IGNKIYNOUQMUAM-AWEZNQCLSA-N -1 0 372.425 2.316 50 0 FEAARM CCSc1nc(CC(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000067588763 205376162 /nfs/dbraw/zinc/37/61/62/205376162.db2.gz GTZAEKOZFFPVHO-GFCCVEGCSA-N -1 0 354.457 2.080 50 0 FEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1c(C)nc2ccc(Cl)cn21)C(=O)[O-] ZINC000067674636 205382410 /nfs/dbraw/zinc/38/24/10/205382410.db2.gz OSWCABDLQMKHHH-CYBMUJFWSA-N -1 0 361.789 2.192 50 0 FEAARM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c2ccccc2n1 ZINC000067675855 205382713 /nfs/dbraw/zinc/38/27/13/205382713.db2.gz KRXSTSYSVKMCKQ-MRXNPFEDSA-N -1 0 354.366 2.139 50 0 FEAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NC[C@H]4CCCO4)c(=O)n1c23 ZINC000100663098 205946753 /nfs/dbraw/zinc/94/67/53/205946753.db2.gz GEFSRBGKUVJSSJ-GXFFZTMASA-N -1 0 360.385 2.262 50 0 FEAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F ZINC000047317884 206079333 /nfs/dbraw/zinc/07/93/33/206079333.db2.gz CZXODJUZAVDCEE-UHFFFAOYSA-N -1 0 355.318 2.399 50 0 FEAARM Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC000237629101 206107257 /nfs/dbraw/zinc/10/72/57/206107257.db2.gz XNUKPZXWQPSFCO-WBVHZDCISA-N -1 0 358.438 2.451 50 0 FEAARM Cc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1-c1cc(C)ccc1C ZINC000237688648 206107803 /nfs/dbraw/zinc/10/78/03/206107803.db2.gz ASERTNJKKRAHGY-OAHLLOKOSA-N -1 0 357.410 2.113 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cs1 ZINC000238198503 206114812 /nfs/dbraw/zinc/11/48/12/206114812.db2.gz QXFCTAYXNDSLHD-UHFFFAOYSA-N -1 0 372.493 2.014 50 0 FEAARM CN1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1=O ZINC000141241960 206136203 /nfs/dbraw/zinc/13/62/03/206136203.db2.gz LEIYFPCFJQPENJ-ZBFHGGJFSA-N -1 0 360.454 2.485 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N3CCCC[C@H]3C(=O)[O-])c(=O)oc2c1 ZINC000002103773 206152817 /nfs/dbraw/zinc/15/28/17/206152817.db2.gz PLXXRMIOJWENQI-HNNXBMFYSA-N -1 0 359.378 2.118 50 0 biogenic FEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002168267 206154828 /nfs/dbraw/zinc/15/48/28/206154828.db2.gz ZPRHVPHDENDZTP-LSDHHAIUSA-N -1 0 362.426 2.198 50 0 biogenic FEAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000002107060 206152444 /nfs/dbraw/zinc/15/24/44/206152444.db2.gz HFAPOHYQUXSMQS-OAHLLOKOSA-N -1 0 359.378 2.205 50 0 biogenic FEAARM O=C([O-])c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000008391789 206215909 /nfs/dbraw/zinc/21/59/09/206215909.db2.gz BJUSTMVNHZAMDR-UHFFFAOYSA-N -1 0 373.368 2.498 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc2c1 ZINC000008879755 206219658 /nfs/dbraw/zinc/21/96/58/206219658.db2.gz KPZCAKUZBNZQRG-CYBMUJFWSA-N -1 0 373.405 2.366 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000003334110 206233216 /nfs/dbraw/zinc/23/32/16/206233216.db2.gz WXWAEKGUDCKITB-KRWDZBQOSA-N -1 0 359.403 2.089 50 0 FEAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)OC)c1 ZINC000006317127 206241712 /nfs/dbraw/zinc/24/17/12/206241712.db2.gz FHGHFEXNTOMILJ-UHFFFAOYSA-N -1 0 363.391 2.369 50 0 FEAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013278374 206302074 /nfs/dbraw/zinc/30/20/74/206302074.db2.gz NVOODSGLWRNOSC-UHFFFAOYSA-N -1 0 360.391 2.095 50 0 FEAARM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc2n(c1=O)CCS2 ZINC000020758623 206343630 /nfs/dbraw/zinc/34/36/30/206343630.db2.gz ACSXMXYDCFUEAC-OAHLLOKOSA-N -1 0 354.435 2.113 50 0 FEAARM COc1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1C(=O)[O-] ZINC000055650942 206382882 /nfs/dbraw/zinc/38/28/82/206382882.db2.gz HQKKRVHKSCBSFK-UHFFFAOYSA-N -1 0 351.380 2.227 50 0 FEAARM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000079097363 542499002 /nfs/dbraw/zinc/49/90/02/542499002.db2.gz RWPDTQSNCWDRKT-JOCHJYFZSA-N -1 0 353.421 2.231 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C1CCN(c2cnccn2)CC1 ZINC000237578877 132248197 /nfs/dbraw/zinc/24/81/97/132248197.db2.gz BBTZSUKCRZQHBG-QGZVFWFLSA-N -1 0 368.437 2.334 50 0 FEAARM C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000013272964 132306721 /nfs/dbraw/zinc/30/67/21/132306721.db2.gz KOEMSJCDIVPXJI-ZDUSSCGKSA-N -1 0 368.389 2.205 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cn3ccsc3n2)C[C@H]1c1cccc(F)c1 ZINC000091304692 542804098 /nfs/dbraw/zinc/80/40/98/542804098.db2.gz OTIKLPKCYJIJFT-QWHCGFSZSA-N -1 0 359.382 2.475 50 0 FEAARM O=C([O-])[C@]12CN(C(=O)CCc3ccncc3)C[C@H]1COc1ccccc1C2 ZINC000095371756 542962664 /nfs/dbraw/zinc/96/26/64/542962664.db2.gz HAQLSAXJHDGBBK-LAUBAEHRSA-N -1 0 366.417 2.179 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cc(Cl)ccc1F)CC2 ZINC000095355307 542957982 /nfs/dbraw/zinc/95/79/82/542957982.db2.gz FWBBLAAJHUWAAA-ZDUSSCGKSA-N -1 0 354.809 2.377 50 0 FEAARM O=C([O-])[C@]1(NC(=O)c2cccc(-n3cnnc3)c2)CCCc2ccccc21 ZINC000095502360 542975190 /nfs/dbraw/zinc/97/51/90/542975190.db2.gz JNLWZKXQBQGVKG-FQEVSTJZSA-N -1 0 362.389 2.314 50 0 FEAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3nc4ccc(Cl)cn4c(=O)c32)cc1 ZINC000096231903 542997135 /nfs/dbraw/zinc/99/71/35/542997135.db2.gz XLJCNSPCVCNZAR-GFCCVEGCSA-N -1 0 370.748 2.487 50 0 FEAARM CO[C@H]1CCCOC12CCN(C(=O)c1c(C)[nH]c(C(=O)[O-])c1C)CC2 ZINC000097568855 543012794 /nfs/dbraw/zinc/01/27/94/543012794.db2.gz AIEHQGZOCHOPDX-ZDUSSCGKSA-N -1 0 350.415 2.130 50 0 FEAARM Cc1cc(C)n2nc(-c3nc(Cc4cccs4)nn3CC(=O)[O-])cc2n1 ZINC000097610173 543013834 /nfs/dbraw/zinc/01/38/34/543013834.db2.gz UTFYDXQZIJEBEJ-UHFFFAOYSA-N -1 0 368.422 2.342 50 0 FEAARM CCOC(=O)c1c([O-])c2cnc(SC)nc2n(-c2ccccc2)c1=O ZINC000100227143 543025081 /nfs/dbraw/zinc/02/50/81/543025081.db2.gz MYXKCSBTWHZYBA-UHFFFAOYSA-N -1 0 357.391 2.385 50 0 FEAARM O=C([O-])Cn1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)n1 ZINC000123088862 543741381 /nfs/dbraw/zinc/74/13/81/543741381.db2.gz JSLGWHZAXJAECR-UHFFFAOYSA-N -1 0 363.801 2.308 50 0 FEAARM Cc1cc(CN(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)no1 ZINC000123706691 543778431 /nfs/dbraw/zinc/77/84/31/543778431.db2.gz DUFDVCIFEFWLHR-UHFFFAOYSA-N -1 0 358.803 2.464 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000136146592 544367893 /nfs/dbraw/zinc/36/78/93/544367893.db2.gz UKXNPQXALNWHJU-RISCZKNCSA-N -1 0 350.802 2.016 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CN1Cc2ccccc2C1=O ZINC000262067317 328839744 /nfs/dbraw/zinc/83/97/44/328839744.db2.gz HYYKXZRDRXQPSD-QGZVFWFLSA-N -1 0 352.390 2.283 50 0 FEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000262287369 328856920 /nfs/dbraw/zinc/85/69/20/328856920.db2.gz ZVHQNFCSLJUVEL-ZBFHGGJFSA-N -1 0 362.401 2.425 50 0 FEAARM CC(=O)N[C@@H](CC(=O)NC1CCC(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000299743402 519683889 /nfs/dbraw/zinc/68/38/89/519683889.db2.gz KWUDRSASYISMKP-QOZQQMKHSA-N -1 0 368.380 2.292 50 0 FEAARM COC(=O)c1ccc(COc2cccc([C@H]3N[C@H](C(=O)[O-])CS3)c2)o1 ZINC000020606339 522046263 /nfs/dbraw/zinc/04/62/63/522046263.db2.gz YAYQIAFSAZSGGN-ZFWWWQNUSA-N -1 0 363.391 2.433 50 0 FEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000299747597 525184599 /nfs/dbraw/zinc/18/45/99/525184599.db2.gz DHISFOVDTHGLPF-UJNFCWOMSA-N -1 0 370.199 2.118 50 0 FEAARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269026594 525961216 /nfs/dbraw/zinc/96/12/16/525961216.db2.gz KOEZIRDEIABDBS-QWRGUYRKSA-N -1 0 361.316 2.175 50 0 FEAARM CSc1cccc(CN(C)C(=O)Cc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000020992789 526096370 /nfs/dbraw/zinc/09/63/70/526096370.db2.gz TWAWQMAEKHZDHC-UHFFFAOYSA-N -1 0 357.439 2.061 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000268984025 526287502 /nfs/dbraw/zinc/28/75/02/526287502.db2.gz OZQMPJQFPBMARJ-TUAOUCFPSA-N -1 0 359.300 2.001 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000272015179 526291183 /nfs/dbraw/zinc/29/11/83/526291183.db2.gz LKTPGNZEXCPYHE-COXVUDFISA-N -1 0 372.400 2.323 50 0 FEAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000237946562 526360939 /nfs/dbraw/zinc/36/09/39/526360939.db2.gz SSKWNZHJQNLKGN-VEGGFIAOSA-N -1 0 364.401 2.488 50 0 FEAARM Cc1noc(C)c1COc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269031782 526523907 /nfs/dbraw/zinc/52/39/07/526523907.db2.gz MZRFYIFLOYYDOI-CQSZACIVSA-N -1 0 374.393 2.186 50 0 FEAARM COCCS(=O)(=O)[N-]C(=O)c1csc(-c2cc3ccccc3o2)n1 ZINC000170625428 546166754 /nfs/dbraw/zinc/16/67/54/546166754.db2.gz IXEREAYNIQQHBR-UHFFFAOYSA-N -1 0 366.420 2.262 50 0 FEAARM COCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(C)o1 ZINC000170621927 546166908 /nfs/dbraw/zinc/16/69/08/546166908.db2.gz NOMGYYOCCGSAPC-UHFFFAOYSA-N -1 0 358.803 2.043 50 0 FEAARM CCc1c(C(=O)NCCCCC(=O)[O-])cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000170672442 546170178 /nfs/dbraw/zinc/17/01/78/546170178.db2.gz LQFGSLNYECSRMO-UHFFFAOYSA-N -1 0 360.370 2.328 50 0 FEAARM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000486058186 561337107 /nfs/dbraw/zinc/33/71/07/561337107.db2.gz ZSLBQIRJEFMUIZ-AWEZNQCLSA-N -1 0 360.435 2.281 50 0 FEAARM Cn1cc(-c2nnc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)o2)cn1 ZINC000190364445 548323886 /nfs/dbraw/zinc/32/38/86/548323886.db2.gz SXCWTHLWRHDOGD-UHFFFAOYSA-N -1 0 359.411 2.150 50 0 FEAARM CC(=O)NCc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000236672728 548771949 /nfs/dbraw/zinc/77/19/49/548771949.db2.gz WJVPENHZNDXMMJ-HNNXBMFYSA-N -1 0 358.419 2.036 50 0 FEAARM O=C([O-])CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CCOCC1 ZINC000238115226 548878424 /nfs/dbraw/zinc/87/84/24/548878424.db2.gz MAAYCTOVOBTSJR-UHFFFAOYSA-N -1 0 363.801 2.232 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)CCO1 ZINC000238131035 548879528 /nfs/dbraw/zinc/87/95/28/548879528.db2.gz KTHHNSUNNDJPIK-LLVKDONJSA-N -1 0 352.799 2.389 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(COc3cccc(F)c3)c2)CCO1 ZINC000262915278 549862164 /nfs/dbraw/zinc/86/21/64/549862164.db2.gz DGRBBUJFRGNQDH-QGZVFWFLSA-N -1 0 359.353 2.330 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1 ZINC000262952438 549865624 /nfs/dbraw/zinc/86/56/24/549865624.db2.gz IYIDHRVRYYJNFR-ZDUSSCGKSA-N -1 0 370.192 2.105 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCN1C(=O)COc2ccccc21 ZINC000265613143 550012856 /nfs/dbraw/zinc/01/28/56/550012856.db2.gz VSQUAMHJBREGJX-DZKIICNBSA-N -1 0 372.421 2.046 50 0 FEAARM CCOc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1OCC(=O)[O-] ZINC000268891303 550128043 /nfs/dbraw/zinc/12/80/43/550128043.db2.gz IULNYPBNYZIXMO-LSDHHAIUSA-N -1 0 363.410 2.332 50 0 FEAARM CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)[C@H]2C1 ZINC000299797112 553615904 /nfs/dbraw/zinc/61/59/04/553615904.db2.gz RLINZRIPALWFJP-FHSNZYRGSA-N -1 0 350.415 2.128 50 0 FEAARM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000328595748 553794827 /nfs/dbraw/zinc/79/48/27/553794827.db2.gz DFDGSFOPIUOOIW-UHFFFAOYSA-N -1 0 361.423 2.173 50 0 FEAARM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cncc(N4CCCC4)n3)ccc2O1 ZINC000328976560 553857569 /nfs/dbraw/zinc/85/75/69/553857569.db2.gz BTFODAWEFXHOKI-UHFFFAOYSA-N -1 0 374.466 2.591 50 0 FEAARM O=C(NCCc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000426484370 559735388 /nfs/dbraw/zinc/73/53/88/559735388.db2.gz BJIGOAYEHNMWRM-ZDUSSCGKSA-N -1 0 373.392 2.005 50 0 FEAARM O=C([O-])[C@@]12CN(C(=O)CCn3cncn3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426719943 559740828 /nfs/dbraw/zinc/74/08/28/559740828.db2.gz OJPSLDOSVILZMD-ZWOKBUDYSA-N -1 0 368.437 2.165 50 0 FEAARM O=C(NCc1n[nH]c(=O)[n-]1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000534664036 562539773 /nfs/dbraw/zinc/53/97/73/562539773.db2.gz UFNCTDPFBDBYJO-UHFFFAOYSA-N -1 0 369.429 2.160 50 0 FEAARM O=C(NCC1CC1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722555 570822369 /nfs/dbraw/zinc/82/23/69/570822369.db2.gz ZTGIKNBEPFPZIH-UHFFFAOYSA-N -1 0 353.353 2.370 50 0 FEAARM Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000685943920 571104273 /nfs/dbraw/zinc/10/42/73/571104273.db2.gz MDJLYXCQVDRGKR-DLBZAZTESA-N -1 0 355.438 2.183 50 0 FEAARM CSCc1ccc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)o1 ZINC000426389906 571219175 /nfs/dbraw/zinc/21/91/75/571219175.db2.gz SIXODPBCBJKQHV-LBPRGKRZSA-N -1 0 363.439 2.444 50 0 FEAARM Cc1nc2sccn2c1C(=O)N1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426428916 571224445 /nfs/dbraw/zinc/22/44/45/571224445.db2.gz JLJVEFFTXMDJPA-LBPRGKRZSA-N -1 0 373.438 2.005 50 0 FEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccn2)c1 ZINC000566506668 600487325 /nfs/dbraw/zinc/48/73/25/600487325.db2.gz YUDFMBQFVKVOGI-MRXNPFEDSA-N -1 0 353.378 2.413 50 0 FEAARM Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CNc3ccccc32)C(=O)[O-])cc1 ZINC000022205312 670038540 /nfs/dbraw/zinc/03/85/40/670038540.db2.gz ABCFCAKIVMOAGM-SUMWQHHRSA-N -1 0 360.435 2.326 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)OC)oc1C ZINC000001028691 539337249 /nfs/dbraw/zinc/33/72/49/539337249.db2.gz ZVKGDVDCVNJVKJ-UHFFFAOYSA-N -1 0 359.381 2.024 50 0 FEAARM Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(C)(=O)=O)c1 ZINC000001171242 539340098 /nfs/dbraw/zinc/34/00/98/539340098.db2.gz PLGZAKLPASHJKL-UHFFFAOYSA-N -1 0 362.407 2.098 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(OC)c1 ZINC000009828281 539508037 /nfs/dbraw/zinc/50/80/37/539508037.db2.gz CYSCIDDGZZTTLU-UHFFFAOYSA-N -1 0 362.407 2.389 50 0 FEAARM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc2c1OCCO2 ZINC000013427848 539586489 /nfs/dbraw/zinc/58/64/89/539586489.db2.gz LYOFOVFSQUSXOH-AWEZNQCLSA-N -1 0 357.362 2.412 50 0 FEAARM O=C([O-])C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000013427857 539586858 /nfs/dbraw/zinc/58/68/58/539586858.db2.gz ULICMCRRMMUDHP-HNNXBMFYSA-N -1 0 368.389 2.134 50 0 FEAARM CCC(=O)C[C@@H](c1ccccc1)[C@@]1(Br)C(=O)[N-]C(=O)NC1=O ZINC000017056416 539638457 /nfs/dbraw/zinc/63/84/57/539638457.db2.gz ICDHOXGQORLMCX-NSHDSACASA-N -1 0 367.199 2.479 50 0 FEAARM COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000023125750 539706397 /nfs/dbraw/zinc/70/63/97/539706397.db2.gz HKLDUTJAZFUCGE-JKSUJKDBSA-N -1 0 352.350 2.202 50 0 FEAARM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccc(F)cc1F ZINC000031776563 539918997 /nfs/dbraw/zinc/91/89/97/539918997.db2.gz KCDFEQKWVIQCOP-UHFFFAOYSA-N -1 0 350.350 2.405 50 0 FEAARM CCn1ncc(-c2cc(C(F)F)n3nc(CCC(=O)[O-])nc3n2)c1C ZINC000035655584 539984120 /nfs/dbraw/zinc/98/41/20/539984120.db2.gz QUESTZFVISYRJF-UHFFFAOYSA-N -1 0 350.329 2.271 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000071284514 541765948 /nfs/dbraw/zinc/76/59/48/541765948.db2.gz PJLTUUKJNQGIDA-UHFFFAOYSA-N -1 0 369.362 2.136 50 0 FEAARM Cc1noc(-c2ccc(-c3cc(NCC(=O)[O-])nc4[nH]ccc43)nc2)n1 ZINC000072129494 541785074 /nfs/dbraw/zinc/78/50/74/541785074.db2.gz BIRFAOYYXFYQHJ-UHFFFAOYSA-N -1 0 350.338 2.480 50 0 FEAARM CCCc1cc(N2CCC3(C[C@@H](C(=O)[O-])N(C(C)=O)C3)CC2)nc(C)n1 ZINC000072141592 541787032 /nfs/dbraw/zinc/78/70/32/541787032.db2.gz YVJDBUAVHCUGCX-INIZCTEOSA-N -1 0 360.458 2.030 50 0 FEAARM CC1(C)[C@H](C(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)[C@@H]1C(=O)[O-] ZINC000072400617 541804979 /nfs/dbraw/zinc/80/49/79/541804979.db2.gz OXNWJINOPZPFMP-DLBZAZTESA-N -1 0 373.453 2.406 50 0 FEAARM O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000072401106 541804995 /nfs/dbraw/zinc/80/49/95/541804995.db2.gz RYRBZCXGMJFZKO-UHFFFAOYSA-N -1 0 356.769 2.426 50 0 FEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000072400620 541805072 /nfs/dbraw/zinc/80/50/72/541805072.db2.gz OXNWJINOPZPFMP-IRXDYDNUSA-N -1 0 373.453 2.406 50 0 FEAARM Cn1ccnc1SCC(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072425485 541810987 /nfs/dbraw/zinc/81/09/87/541810987.db2.gz TXQZEQDAYAWCLN-CQSZACIVSA-N -1 0 359.451 2.302 50 0 FEAARM CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000072411751 541807571 /nfs/dbraw/zinc/80/75/71/541807571.db2.gz CDNBTIHJYIBGMY-QGZVFWFLSA-N -1 0 369.421 2.266 50 0 FEAARM C[C@H](CC(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1)n1cccn1 ZINC000072422149 541809491 /nfs/dbraw/zinc/80/94/91/541809491.db2.gz VSFOEWFYZPUIQC-OAHLLOKOSA-N -1 0 357.410 2.359 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000072435424 541814124 /nfs/dbraw/zinc/81/41/24/541814124.db2.gz LRKBYAJJGDPBNE-KRWDZBQOSA-N -1 0 353.422 2.091 50 0 FEAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1cccs1)CCN(C(=O)C1CC1)CC2 ZINC000072436110 541814432 /nfs/dbraw/zinc/81/44/32/541814432.db2.gz NEMSTOYUEXFPBW-ZDUSSCGKSA-N -1 0 362.451 2.066 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000013195915 203855786 /nfs/dbraw/zinc/85/57/86/203855786.db2.gz ISGIMSLAVWDOIB-HNNXBMFYSA-N -1 0 353.371 2.329 50 0 FEAARM CCC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-] ZINC000002117247 204025981 /nfs/dbraw/zinc/02/59/81/204025981.db2.gz RPQIRDLZHBGTDT-ZDUSSCGKSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002139810 204026859 /nfs/dbraw/zinc/02/68/59/204026859.db2.gz JLBAEVOIHDERHA-HNNXBMFYSA-N -1 0 361.394 2.350 50 0 biogenic FEAARM NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384763 204036330 /nfs/dbraw/zinc/03/63/30/204036330.db2.gz IZKGGDFLLNVXNZ-KRWDZBQOSA-N -1 0 368.389 2.244 50 0 FEAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccccc1 ZINC000002966890 204071244 /nfs/dbraw/zinc/07/12/44/204071244.db2.gz MIOPKVBLDRZSBE-HNNXBMFYSA-N -1 0 364.430 2.061 50 0 FEAARM CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000002616210 204045213 /nfs/dbraw/zinc/04/52/13/204045213.db2.gz MOVXAFKSRWGBBY-OUKQBFOZSA-N -1 0 366.464 2.350 50 0 FEAARM O=C([O-])COCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000003983636 204117004 /nfs/dbraw/zinc/11/70/04/204117004.db2.gz ATWGLBNRUNKTBY-HNNXBMFYSA-N -1 0 356.300 2.257 50 0 FEAARM CN1C2=C(C(=O)N(c3cccc(C(=O)[O-])c3)C2)[C@H](c2ccccc2)NC1=O ZINC000004726764 204159273 /nfs/dbraw/zinc/15/92/73/204159273.db2.gz FYJVAFRVYTWGRN-KRWDZBQOSA-N -1 0 363.373 2.382 50 0 FEAARM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809279 204164650 /nfs/dbraw/zinc/16/46/50/204164650.db2.gz UHQYJGQTIVPCBJ-CQSZACIVSA-N -1 0 360.435 2.396 50 0 FEAARM COc1ccc(C2(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CCOCC2)cc1 ZINC000005451261 204210157 /nfs/dbraw/zinc/21/01/57/204210157.db2.gz PCPYFCPNDMINPL-INIZCTEOSA-N -1 0 364.442 2.152 50 0 FEAARM COc1cc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)ccc1O ZINC000005519861 204213776 /nfs/dbraw/zinc/21/37/76/204213776.db2.gz LHRZKLMPEZRZOB-AWEZNQCLSA-N -1 0 353.382 2.187 50 0 FEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000005252786 204200043 /nfs/dbraw/zinc/20/00/43/204200043.db2.gz LIINWKLQOMJOMV-UHFFFAOYSA-N -1 0 360.391 2.159 50 0 FEAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]Cc3ccc(C)cc3)c(=O)n12 ZINC000006823636 204274789 /nfs/dbraw/zinc/27/47/89/204274789.db2.gz LLNMRJMYXWJDGP-UHFFFAOYSA-N -1 0 363.464 2.160 50 0 FEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1N1CCCC1=O ZINC000030521937 204909812 /nfs/dbraw/zinc/90/98/12/204909812.db2.gz WITASJJVYKWBGG-UONOGXRCSA-N -1 0 358.394 2.428 50 0 FEAARM O=C(/C=C/c1cccs1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268558 205094338 /nfs/dbraw/zinc/09/43/38/205094338.db2.gz AQZZOTNCJJAVMK-ZZXKWVIFSA-N -1 0 351.405 2.038 50 0 FEAARM Cc1oc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)[O-] ZINC000299747459 205126153 /nfs/dbraw/zinc/12/61/53/205126153.db2.gz DBQLJERNSRRDHD-UHFFFAOYSA-N -1 0 360.341 2.482 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000299751759 205133549 /nfs/dbraw/zinc/13/35/49/205133549.db2.gz RPAXGIXGHWKUET-OIISXLGYSA-N -1 0 369.421 2.422 50 0 FEAARM O=C([O-])c1cc(C(=O)NC[C@@H]2CSCCS2)n(-c2ccccc2)n1 ZINC000299753309 205134650 /nfs/dbraw/zinc/13/46/50/205134650.db2.gz XTNAPTAOGZSUFC-GFCCVEGCSA-N -1 0 363.464 2.149 50 0 FEAARM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cccc1N1CCNC1=O ZINC000299753444 205134703 /nfs/dbraw/zinc/13/47/03/205134703.db2.gz YGCDJFBQLMVECF-INIZCTEOSA-N -1 0 353.378 2.080 50 0 FEAARM Cc1oc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000299750048 205131844 /nfs/dbraw/zinc/13/18/44/205131844.db2.gz MNKMGFUGAVLYSZ-QGZVFWFLSA-N -1 0 370.405 2.402 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)cc1C(=O)[O-] ZINC000055682017 205223566 /nfs/dbraw/zinc/22/35/66/205223566.db2.gz IQRVFTOHMLGLBU-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(Cl)cc1F ZINC000055601891 205221467 /nfs/dbraw/zinc/22/14/67/205221467.db2.gz DECWJRZQIPUDQF-UHFFFAOYSA-N -1 0 353.766 2.256 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1 ZINC000058014343 205247677 /nfs/dbraw/zinc/24/76/77/205247677.db2.gz ZOTRHWZVIXWDHM-CHWSQXEVSA-N -1 0 371.455 2.099 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2c1=O ZINC000065247015 205328721 /nfs/dbraw/zinc/32/87/21/205328721.db2.gz QUHORRGXXALFRD-UHFFFAOYSA-N -1 0 360.439 2.242 50 0 FEAARM O=C([O-])CSc1nnc(CCc2ccccc2O)n1-c1cccnc1 ZINC000065417503 205348849 /nfs/dbraw/zinc/34/88/49/205348849.db2.gz AWFVIQBAEXBSKJ-UHFFFAOYSA-N -1 0 356.407 2.330 50 0 FEAARM C[C@H](C(=O)N1CCCC1)n1c2cc(C(=O)[O-])ccc2n(CC2CC2)c1=O ZINC000065409253 205349171 /nfs/dbraw/zinc/34/91/71/205349171.db2.gz XYIGCRDOVKINIJ-GFCCVEGCSA-N -1 0 357.410 2.095 50 0 FEAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4ccccc4)C(=O)[C@H]32)cc1 ZINC000018202480 220228240 /nfs/dbraw/zinc/22/82/40/220228240.db2.gz QMYKGQLMGLXVQZ-WMZOPIPTSA-N -1 0 363.373 2.018 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101167316 205953265 /nfs/dbraw/zinc/95/32/65/205953265.db2.gz RLFFRZCLUNYEQL-HOTGVXAUSA-N -1 0 354.341 2.328 50 0 FEAARM CC(=O)N[C@H](CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000237441248 206103442 /nfs/dbraw/zinc/10/34/42/206103442.db2.gz CFUABQILFJUFBX-ZUZCIYMTSA-N -1 0 368.380 2.244 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000238044647 206113171 /nfs/dbraw/zinc/11/31/71/206113171.db2.gz HDJQIFRVZVIBSA-QGZVFWFLSA-N -1 0 366.352 2.058 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000238045206 206113528 /nfs/dbraw/zinc/11/35/28/206113528.db2.gz QUQLMGHIYLPPIW-GOSISDBHSA-N -1 0 364.401 2.465 50 0 FEAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC(C2CCOCC2)CC1 ZINC000124355846 206114616 /nfs/dbraw/zinc/11/46/16/206114616.db2.gz OEDNFBLTCGVYSX-UHFFFAOYSA-N -1 0 373.478 2.491 50 0 FEAARM CCCSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000002712582 206155817 /nfs/dbraw/zinc/15/58/17/206155817.db2.gz OMQXQSLKHRVDSO-UHFFFAOYSA-N -1 0 364.427 2.124 50 0 FEAARM CCO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C12CCC2 ZINC000150804526 206148655 /nfs/dbraw/zinc/14/86/55/206148655.db2.gz LTKOWGLTFDJXQU-CABCVRRESA-N -1 0 373.478 2.300 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2c1C ZINC000002104126 206152515 /nfs/dbraw/zinc/15/25/15/206152515.db2.gz NWYUWPDBAUVJQV-UHFFFAOYSA-N -1 0 361.394 2.332 50 0 biogenic FEAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])n2C ZINC000004000276 206164274 /nfs/dbraw/zinc/16/42/74/206164274.db2.gz ZIRGEXFYDBRREA-NSHDSACASA-N -1 0 366.439 2.132 50 0 biogenic FEAARM CC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[C@@H]1CCCO1 ZINC000152488195 206190596 /nfs/dbraw/zinc/19/05/96/206190596.db2.gz TVZBABFUGJKDSW-HIFRSBDPSA-N -1 0 361.467 2.149 50 0 FEAARM CN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1=O ZINC000008961538 206221413 /nfs/dbraw/zinc/22/14/13/206221413.db2.gz ITHDERPEILYTKK-UHFFFAOYSA-N -1 0 350.371 2.091 50 0 FEAARM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])cc1OC ZINC000013263131 206301559 /nfs/dbraw/zinc/30/15/59/206301559.db2.gz GNJXWWUYOGWPFP-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM O=C(NCC[C@@H]1COc2ccccc2O1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215845674 206351865 /nfs/dbraw/zinc/35/18/65/206351865.db2.gz AZTZHCUJFQPDAW-OAHLLOKOSA-N -1 0 365.389 2.126 50 0 FEAARM O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000222255626 206412939 /nfs/dbraw/zinc/41/29/39/206412939.db2.gz KFGVQGLLTQPCQZ-HOCLYGCPSA-N -1 0 374.412 2.229 50 0 FEAARM CN(C)C(=O)c1ccc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)o1 ZINC000077323498 542367543 /nfs/dbraw/zinc/36/75/43/542367543.db2.gz UPIAYHFDNUYNHZ-UHFFFAOYSA-N -1 0 367.365 2.144 50 0 FEAARM O=C([O-])c1cccc(CC2CCN(c3cc(NCCO)ncn3)CC2)c1 ZINC000077287537 132179675 /nfs/dbraw/zinc/17/96/75/132179675.db2.gz IQRGAOZDULQQLQ-UHFFFAOYSA-N -1 0 356.426 2.038 50 0 FEAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000226087461 132287999 /nfs/dbraw/zinc/28/79/99/132287999.db2.gz UBRRAOWJMHCTCD-AWEZNQCLSA-N -1 0 353.783 2.381 50 0 FEAARM COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)c(OC)n1 ZINC000091427255 542807054 /nfs/dbraw/zinc/80/70/54/542807054.db2.gz OXJDXKVLTKXPMR-LSDHHAIUSA-N -1 0 374.368 2.178 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cn3cc(Cl)cnc3n2)C[C@H]1c1ccccc1 ZINC000091595559 542815059 /nfs/dbraw/zinc/81/50/59/542815059.db2.gz IFXHWDPTHNKVSH-UONOGXRCSA-N -1 0 370.796 2.323 50 0 FEAARM Cc1ccnc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)[O-])CC2)n1 ZINC000072478493 136149585 /nfs/dbraw/zinc/14/95/85/136149585.db2.gz RFIGUMYNFOMDCX-UHFFFAOYSA-N -1 0 357.366 2.016 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cc(Cl)ccc1F)CC2 ZINC000095355306 542958471 /nfs/dbraw/zinc/95/84/71/542958471.db2.gz FWBBLAAJHUWAAA-CYBMUJFWSA-N -1 0 354.809 2.377 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cc(F)ccc1Cl)CC2 ZINC000095358874 542959187 /nfs/dbraw/zinc/95/91/87/542959187.db2.gz VILZLZMXXNKFPA-CYBMUJFWSA-N -1 0 354.809 2.377 50 0 FEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000095425261 542968999 /nfs/dbraw/zinc/96/89/99/542968999.db2.gz OWDLYJAIQDSYQT-UHFFFAOYSA-N -1 0 356.334 2.042 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000095424581 542969012 /nfs/dbraw/zinc/96/90/12/542969012.db2.gz AKFVSYOOFDDOOG-AEFFLSMTSA-N -1 0 368.364 2.423 50 0 FEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000097294651 543009399 /nfs/dbraw/zinc/00/93/99/543009399.db2.gz MOXWOWZCLVLANA-IBGZPJMESA-N -1 0 364.405 2.395 50 0 FEAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4ncccn4)c(=O)n1c23 ZINC000100663058 543025488 /nfs/dbraw/zinc/02/54/88/543025488.db2.gz OBSCYYXZVHYGKK-SECBINFHSA-N -1 0 354.341 2.396 50 0 FEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101277454 543026744 /nfs/dbraw/zinc/02/67/44/543026744.db2.gz GVWWWFAPIJDUQY-JKSUJKDBSA-N -1 0 374.360 2.230 50 0 FEAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CC3=CSC4=NCCN34)C2)c1 ZINC000102018561 543055772 /nfs/dbraw/zinc/05/57/72/543055772.db2.gz RGCDBLWJXXQPEF-CQSZACIVSA-N -1 0 371.462 2.426 50 0 FEAARM Cc1cc2ncc(C(=O)N(Cc3ccsc3)C[C@@H]3CCCO3)c(=O)n2[n-]1 ZINC000102040822 543056356 /nfs/dbraw/zinc/05/63/56/543056356.db2.gz YFRFCGQGBQQWET-AWEZNQCLSA-N -1 0 372.450 2.214 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2COc3ccccc3C2)ccc1OCC(=O)[O-] ZINC000268891253 263466657 /nfs/dbraw/zinc/46/66/57/263466657.db2.gz IOQGESJOYFEJIK-HNNXBMFYSA-N -1 0 371.389 2.282 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 ZINC000013170927 324374271 /nfs/dbraw/zinc/37/42/71/324374271.db2.gz YTWSGQOVMANINM-SECBINFHSA-N -1 0 360.179 2.290 50 0 FEAARM COCCOc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000262367937 328861718 /nfs/dbraw/zinc/86/17/18/328861718.db2.gz FOXRFADITXBBMP-SFHVURJKSA-N -1 0 355.390 2.364 50 0 FEAARM Cc1cc(Br)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC000262405231 328863747 /nfs/dbraw/zinc/86/37/47/328863747.db2.gz KPWGGMFVRSWORV-QMMMGPOBSA-N -1 0 356.263 2.207 50 0 FEAARM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000275208667 330022185 /nfs/dbraw/zinc/02/21/85/330022185.db2.gz CBPOZYGHIKUQGE-NSHDSACASA-N -1 0 363.382 2.206 50 0 FEAARM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000275208660 330022326 /nfs/dbraw/zinc/02/23/26/330022326.db2.gz CBPOZYGHIKUQGE-LLVKDONJSA-N -1 0 363.382 2.206 50 0 FEAARM O=C([O-])CN(C(=O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000328595498 534498738 /nfs/dbraw/zinc/49/87/38/534498738.db2.gz WNFLUOXFTREWNH-UHFFFAOYSA-N -1 0 362.209 2.464 50 0 FEAARM COCc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)o1 ZINC000091320171 522952671 /nfs/dbraw/zinc/95/26/71/522952671.db2.gz JZTUAAKPUPQZNO-UONOGXRCSA-N -1 0 373.361 2.095 50 0 FEAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)COCC1CC1)CC2 ZINC000277781082 523045666 /nfs/dbraw/zinc/04/56/66/523045666.db2.gz XPFKQQXPXCENKP-HNNXBMFYSA-N -1 0 363.410 2.031 50 0 FEAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C(=O)[O-])c1 ZINC000237668037 524464603 /nfs/dbraw/zinc/46/46/03/524464603.db2.gz SXEWSCUHLUDMIO-DOTOQJQBSA-N -1 0 366.417 2.481 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2C=O)C[C@H]1C(=O)[O-] ZINC000095080818 534837538 /nfs/dbraw/zinc/83/75/38/534837538.db2.gz SPKMQSFQHUMBLE-ZDUSSCGKSA-N -1 0 352.362 2.149 50 0 FEAARM Cc1ccc(OCc2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)o2)c(C)c1 ZINC000262969391 525443099 /nfs/dbraw/zinc/44/30/99/525443099.db2.gz LISUGYJHDYDWTG-KRWDZBQOSA-N -1 0 359.378 2.401 50 0 FEAARM O=C([O-])C1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000268921381 527563042 /nfs/dbraw/zinc/56/30/42/527563042.db2.gz APYGRKKVFIPXOX-UHFFFAOYSA-N -1 0 365.817 2.243 50 0 FEAARM CC(C)(Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000170626308 546167245 /nfs/dbraw/zinc/16/72/45/546167245.db2.gz UKFDUXSONMLZHT-UHFFFAOYSA-N -1 0 360.863 2.344 50 0 FEAARM Cc1nc2cc(CNC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)ccc2n1C ZINC000215109788 548667974 /nfs/dbraw/zinc/66/79/74/548667974.db2.gz WVZVCUOQXFYVGL-UHFFFAOYSA-N -1 0 361.405 2.291 50 0 FEAARM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC(O)C1 ZINC000223502016 548720511 /nfs/dbraw/zinc/72/05/11/548720511.db2.gz HQWJODFCQGLSCK-WZQIAMPNSA-N -1 0 365.810 2.005 50 0 FEAARM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cnc3ccccc3c2O)c1 ZINC000225736715 548741150 /nfs/dbraw/zinc/74/11/50/548741150.db2.gz SNEYVPSRASNQSL-UHFFFAOYSA-N -1 0 374.393 2.001 50 0 FEAARM CC1(C)[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)[C@@H]2CCO[C@H]21 ZINC000230217346 548758577 /nfs/dbraw/zinc/75/85/77/548758577.db2.gz JTXIXMULKXNEGE-APHBMKBZSA-N -1 0 373.478 2.005 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000252483529 549667947 /nfs/dbraw/zinc/66/79/47/549667947.db2.gz FDMSFTJZUVDINA-QGZVFWFLSA-N -1 0 360.454 2.354 50 0 FEAARM COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1OCCO2 ZINC000262089799 549788076 /nfs/dbraw/zinc/78/80/76/549788076.db2.gz GGVFUHBYBQBBLY-UHFFFAOYSA-N -1 0 357.362 2.193 50 0 FEAARM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC000262588454 549830171 /nfs/dbraw/zinc/83/01/71/549830171.db2.gz AZMKARYHKBVQRC-LBPRGKRZSA-N -1 0 356.304 2.164 50 0 FEAARM CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@H](C(=O)[O-])C3)n2)cc1 ZINC000263026588 549872378 /nfs/dbraw/zinc/87/23/78/549872378.db2.gz TZXHJDKPQJQWEM-HNNXBMFYSA-N -1 0 373.409 2.105 50 0 FEAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC000263127611 549879646 /nfs/dbraw/zinc/87/96/46/549879646.db2.gz FTSPWMKJPZXHIF-NSHDSACASA-N -1 0 352.456 2.347 50 0 FEAARM CN(C)S(=O)(=O)c1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000294284762 552893907 /nfs/dbraw/zinc/89/39/07/552893907.db2.gz UFQGVOCWNYJNCP-UAGQMJEPSA-N -1 0 366.483 2.155 50 0 FEAARM Nc1cc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000299795478 553615965 /nfs/dbraw/zinc/61/59/65/553615965.db2.gz LJHPWXZGYIUZJS-NJSLBKSFSA-N -1 0 354.410 2.103 50 0 FEAARM COC(=O)CCc1n[n-]c(=NC(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000609931707 554439588 /nfs/dbraw/zinc/43/95/88/554439588.db2.gz KDXOWDIBASVEIM-UHFFFAOYSA-N -1 0 373.438 2.489 50 0 FEAARM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@@H]3COc4ccccc43)c2)n1 ZINC000373562938 557718453 /nfs/dbraw/zinc/71/84/53/557718453.db2.gz NNEBVSJICQQCFU-MRXNPFEDSA-N -1 0 363.373 2.363 50 0 FEAARM C[C@@H]1Cc2cc(S(=O)(=O)n3[n-]c(=N)nc3C3CCC3)cc(Cl)c2O1 ZINC000408525862 558685661 /nfs/dbraw/zinc/68/56/61/558685661.db2.gz SPKADWNCQWCOBL-MRVPVSSYSA-N -1 0 368.846 2.342 50 0 FEAARM Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)c(-c2ccccc2)o1 ZINC000426504467 559736043 /nfs/dbraw/zinc/73/60/43/559736043.db2.gz JUEIUQVVVAMUOM-NSHDSACASA-N -1 0 354.366 2.491 50 0 FEAARM CCCC(=O)N(Cc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1OC ZINC000101802488 570824180 /nfs/dbraw/zinc/82/41/80/570824180.db2.gz KCDGAVNIYICSIL-UHFFFAOYSA-N -1 0 355.398 2.068 50 0 FEAARM COc1cccc(CN(C)Cc2snnc2C)c1O[C@H](C)C(=O)[O-] ZINC000230570190 571096326 /nfs/dbraw/zinc/09/63/26/571096326.db2.gz ZQMMOXVUEXQRBM-LLVKDONJSA-N -1 0 351.428 2.339 50 0 FEAARM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)c2ccccc21 ZINC000078001709 571140883 /nfs/dbraw/zinc/14/08/83/571140883.db2.gz IIAQJZPZABRPSO-LLVKDONJSA-N -1 0 357.391 2.330 50 0 FEAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCc3ccccc3CC2)cc1 ZINC000117544721 571162253 /nfs/dbraw/zinc/16/22/53/571162253.db2.gz WRINKKWKUVFXHT-UHFFFAOYSA-N -1 0 359.447 2.493 50 0 FEAARM C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ncc[n-]2)[C@@H]1C ZINC000585138648 571227440 /nfs/dbraw/zinc/22/74/40/571227440.db2.gz XLRWWZWBCMFLAA-UPJWGTAASA-N -1 0 372.491 2.112 50 0 FEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)Cc2cccnc2)c1 ZINC000630142279 600487099 /nfs/dbraw/zinc/48/70/99/600487099.db2.gz WGIPHYIYCIBQID-QGZVFWFLSA-N -1 0 367.405 2.342 50 0 FEAARM NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000095946518 670759666 /nfs/dbraw/zinc/75/96/66/670759666.db2.gz PZVACPHKBWKVIP-MDZDMXLPSA-N -1 0 372.855 2.400 50 0 FEAARM Cc1ccc(-n2[n-]c(C(=O)N3C[C@H]4C[C@@]4(C(F)(F)F)C3)cc2=O)cc1 ZINC000888092721 688545354 /nfs/dbraw/zinc/54/53/54/688545354.db2.gz QQMXDGKZTSEHBA-BDJLRTHQSA-N -1 0 351.328 2.498 50 0 FEAARM CC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)C(=O)[O-] ZINC000888093295 688545367 /nfs/dbraw/zinc/54/53/67/688545367.db2.gz OTDWLHHMCLARKY-ZIAGYGMSSA-N -1 0 350.806 2.288 50 0 FEAARM O=C([O-])C[C@H](CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000001032820 539337290 /nfs/dbraw/zinc/33/72/90/539337290.db2.gz ZRWCVASLBYKEPY-INIZCTEOSA-N -1 0 370.405 2.213 50 0 FEAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000001218127 539339712 /nfs/dbraw/zinc/33/97/12/539339712.db2.gz MXEIQMLBKZBGLP-UHFFFAOYSA-N -1 0 350.400 2.463 50 0 FEAARM O=C1N[C@H](c2ccncc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001295768 539340762 /nfs/dbraw/zinc/34/07/62/539340762.db2.gz HHCFNYSZKIHTSQ-GYSYKLTISA-N -1 0 371.340 2.247 50 0 FEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000012548466 539564238 /nfs/dbraw/zinc/56/42/38/539564238.db2.gz IUVMJZQXVSGSRD-UHFFFAOYSA-N -1 0 364.456 2.107 50 0 FEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000012552708 539565873 /nfs/dbraw/zinc/56/58/73/539565873.db2.gz DGJDJDTVYLTQMD-UHFFFAOYSA-N -1 0 374.418 2.183 50 0 FEAARM Cc1cc(C)n(-c2nnc3n2NC(c2cccs2)=C(CC(=O)[O-])S3)n1 ZINC000013013831 539582384 /nfs/dbraw/zinc/58/23/84/539582384.db2.gz BXASEGSJQSBJAC-LLVKDONJSA-N -1 0 374.451 2.344 50 0 FEAARM CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000013257622 539584960 /nfs/dbraw/zinc/58/49/60/539584960.db2.gz HRRPBKCBMNYLGH-OAHLLOKOSA-N -1 0 365.382 2.175 50 0 FEAARM O=C([N-]OCc1ccccc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000025038681 539747308 /nfs/dbraw/zinc/74/73/08/539747308.db2.gz DVVSQLKHMXFILJ-UHFFFAOYSA-N -1 0 365.389 2.184 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccs1 ZINC000028167340 539826930 /nfs/dbraw/zinc/82/69/30/539826930.db2.gz XNWPJHLXTIUNQA-CYBMUJFWSA-N -1 0 350.421 2.204 50 0 FEAARM CC(=O)c1cc(C(C)=O)cc(S(=O)(=O)[N-]c2cccc3c2CC(=O)N3)c1 ZINC000028249614 539828774 /nfs/dbraw/zinc/82/87/74/539828774.db2.gz AZJMRJIKYAWXRJ-UHFFFAOYSA-N -1 0 372.402 2.387 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000030031992 539873020 /nfs/dbraw/zinc/87/30/20/539873020.db2.gz LRPHUWQCEFCSFY-UHFFFAOYSA-N -1 0 365.418 2.443 50 0 FEAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2C1=O ZINC000065258767 541231277 /nfs/dbraw/zinc/23/12/77/541231277.db2.gz UZKQYJAFFYITFM-UHFFFAOYSA-N -1 0 363.439 2.163 50 0 FEAARM O=C([O-])Cc1cc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)[nH]n1 ZINC000067910042 541528018 /nfs/dbraw/zinc/52/80/18/541528018.db2.gz HOZWFXRYSZACPQ-UHFFFAOYSA-N -1 0 353.422 2.475 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000072421582 541808910 /nfs/dbraw/zinc/80/89/10/541808910.db2.gz UPOKAAAJEKZENK-MRXNPFEDSA-N -1 0 353.422 2.406 50 0 FEAARM COc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1 ZINC000002459677 204039489 /nfs/dbraw/zinc/03/94/89/204039489.db2.gz KSALYRHGOIGDHL-UHFFFAOYSA-N -1 0 359.363 2.131 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000001442489 204007966 /nfs/dbraw/zinc/00/79/66/204007966.db2.gz SWHYELYFXHVCKL-OAHLLOKOSA-N -1 0 365.407 2.348 50 0 FEAARM CC(=O)N1CCC(N2Cc3ccccc3-n3cccc3[C@H]2C(=O)[O-])CC1 ZINC000001742807 204018395 /nfs/dbraw/zinc/01/83/95/204018395.db2.gz UXYXEOKCJPNHEM-IBGZPJMESA-N -1 0 353.422 2.430 50 0 FEAARM CCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002117881 204026295 /nfs/dbraw/zinc/02/62/95/204026295.db2.gz HNPIQGSCCFRCHL-ZBEGNZNMSA-N -1 0 373.405 2.419 50 0 biogenic FEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000002145086 204027057 /nfs/dbraw/zinc/02/70/57/204027057.db2.gz ZPRHVPHDENDZTP-CABCVRRESA-N -1 0 362.426 2.198 50 0 FEAARM CC(C)OC(=O)c1cc(NC(=O)/C=C/C(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000002801064 204059315 /nfs/dbraw/zinc/05/93/15/204059315.db2.gz JNIGFNXKUXOYQX-AATRIKPKSA-N -1 0 363.366 2.396 50 0 FEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2Cl)c1 ZINC000002805105 204059903 /nfs/dbraw/zinc/05/99/03/204059903.db2.gz NKXBYENKGJLSCL-UHFFFAOYSA-N -1 0 365.846 2.428 50 0 FEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000004809381 204164466 /nfs/dbraw/zinc/16/44/66/204164466.db2.gz BOMJZVJJIFKBNA-UHFFFAOYSA-N -1 0 373.478 2.016 50 0 FEAARM COc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1 ZINC000004810126 204165066 /nfs/dbraw/zinc/16/50/66/204165066.db2.gz MVXYUANNEVYMMW-CYBMUJFWSA-N -1 0 354.362 2.385 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004270348 204129831 /nfs/dbraw/zinc/12/98/31/204129831.db2.gz SQSIOPRIGNLRRC-UHFFFAOYSA-N -1 0 358.419 2.331 50 0 FEAARM Cc1cc(O[C@H](C)C(=O)NCCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000005562873 204216490 /nfs/dbraw/zinc/21/64/90/204216490.db2.gz CFYYCTMNMVXAMO-GFCCVEGCSA-N -1 0 373.405 2.338 50 0 FEAARM CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000005325106 204202896 /nfs/dbraw/zinc/20/28/96/204202896.db2.gz FVSLCLOKZGTQOW-RHSMWYFYSA-N -1 0 374.462 2.358 50 0 FEAARM COc1ccc(C[C@@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c(OC)c1 ZINC000005711826 204221620 /nfs/dbraw/zinc/22/16/20/204221620.db2.gz GYXQDZKTCOWCJU-OAHLLOKOSA-N -1 0 367.409 2.490 50 0 FEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000006213797 204240676 /nfs/dbraw/zinc/24/06/76/204240676.db2.gz ZOFWBTRHFATGLC-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000006701632 204262021 /nfs/dbraw/zinc/26/20/21/204262021.db2.gz ULRDAJFTGNXMGL-UHFFFAOYSA-N -1 0 350.396 2.463 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000006770390 204267833 /nfs/dbraw/zinc/26/78/33/204267833.db2.gz JXRFETZLRWNADO-IAGOWNOFSA-N -1 0 350.378 2.497 50 0 FEAARM O=C([O-])COc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC000008906891 204347890 /nfs/dbraw/zinc/34/78/90/204347890.db2.gz QQXROBJDSMCBSD-UHFFFAOYSA-N -1 0 368.345 2.056 50 0 FEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000009113434 204353917 /nfs/dbraw/zinc/35/39/17/204353917.db2.gz KYWTXOLSBOMFLH-UHFFFAOYSA-N -1 0 363.391 2.451 50 0 FEAARM COc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)c1 ZINC000009592111 204375641 /nfs/dbraw/zinc/37/56/41/204375641.db2.gz ZBLBZYHTYKXPIA-CYBMUJFWSA-N -1 0 354.362 2.385 50 0 FEAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(Br)c1 ZINC000037591604 205029216 /nfs/dbraw/zinc/02/92/16/205029216.db2.gz YZKBHJUZNODEKC-VIFPVBQESA-N -1 0 350.234 2.323 50 0 FEAARM CCOc1c(Br)cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000299743038 205124424 /nfs/dbraw/zinc/12/44/24/205124424.db2.gz LRBPTPBHRFMLMJ-VIFPVBQESA-N -1 0 372.215 2.403 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000299741753 205124482 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50 0 FEAARM Cc1ccc(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c(F)c1 ZINC000057115947 205234962 /nfs/dbraw/zinc/23/49/62/205234962.db2.gz LVAFHXQRQXHHOL-UHFFFAOYSA-N -1 0 367.354 2.404 50 0 FEAARM Cc1cccc(C(C)(C)CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000058218935 205264419 /nfs/dbraw/zinc/26/44/19/205264419.db2.gz JBCGVNDNKFLQHL-UHFFFAOYSA-N -1 0 352.394 2.040 50 0 FEAARM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3cccnc3)CCCC2)cc1 ZINC000060766090 205285609 /nfs/dbraw/zinc/28/56/09/205285609.db2.gz ANYMXCKIGOVWSR-UHFFFAOYSA-N -1 0 360.435 2.407 50 0 FEAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)cn21 ZINC000065247263 205329052 /nfs/dbraw/zinc/32/90/52/205329052.db2.gz ITTFITHHINNDKP-UHFFFAOYSA-N -1 0 360.439 2.188 50 0 FEAARM O=C([O-])c1cc2n(n1)CCCN(C(=O)c1c[nH]c(-c3ccccc3)n1)C2 ZINC000065456734 205351283 /nfs/dbraw/zinc/35/12/83/205351283.db2.gz PRDGFHCSTBWITJ-UHFFFAOYSA-N -1 0 351.366 2.018 50 0 FEAARM O=C([O-])CNc1ccccc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000065374881 205341168 /nfs/dbraw/zinc/34/11/68/205341168.db2.gz KJBKBMFJNQCITI-ZDUSSCGKSA-N -1 0 356.378 2.143 50 0 FEAARM CC1(C)C[C@@H](C(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)CCO1 ZINC000067675105 205381593 /nfs/dbraw/zinc/38/15/93/205381593.db2.gz VCWGYXPBUBTOIX-ZDUSSCGKSA-N -1 0 361.442 2.081 50 0 FEAARM CCc1noc(C)c1C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067884883 205401826 /nfs/dbraw/zinc/40/18/26/205401826.db2.gz UOLKQIJNJIMZBB-UHFFFAOYSA-N -1 0 358.398 2.049 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)[C@H]1CCc3ccccc3C1)C2 ZINC000072420124 205538360 /nfs/dbraw/zinc/53/83/60/205538360.db2.gz RTVBCBFDMSKEPU-INIZCTEOSA-N -1 0 353.422 2.048 50 0 FEAARM O=C([O-])C1(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CCCCC1 ZINC000095349560 205723501 /nfs/dbraw/zinc/72/35/01/205723501.db2.gz NLWVDAIGRBJIGJ-QGZVFWFLSA-N -1 0 372.465 2.371 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(Cl)cc1 ZINC000095399179 205752987 /nfs/dbraw/zinc/75/29/87/205752987.db2.gz HDCNIWADTYCINT-ZFWWWQNUSA-N -1 0 364.829 2.231 50 0 FEAARM COC[C@@](C)(CC(=O)[O-])NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000095989857 205801351 /nfs/dbraw/zinc/80/13/51/205801351.db2.gz XWMPZZFHGBSHMH-GOSISDBHSA-N -1 0 351.399 2.353 50 0 FEAARM O=c1c2[n-][nH]n(Cc3nc(-c4ccccc4)no3)c=2c(=O)n1-c1ccccc1 ZINC000101277456 205955208 /nfs/dbraw/zinc/95/52/08/205955208.db2.gz GVWWWFAPIJDUQY-HZPDHXFCSA-N -1 0 374.360 2.230 50 0 FEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000047417537 206079679 /nfs/dbraw/zinc/07/96/79/206079679.db2.gz QJPKSJXHIUIWRX-UHFFFAOYSA-N -1 0 355.441 2.418 50 0 FEAARM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237282389 206097088 /nfs/dbraw/zinc/09/70/88/206097088.db2.gz WCBHTAHHRUCRQC-GFCCVEGCSA-N -1 0 362.382 2.463 50 0 FEAARM Cc1oc(-c2ccco2)nc1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237655608 206107275 /nfs/dbraw/zinc/10/72/75/206107275.db2.gz PMJOQWIIMQECDO-CYBMUJFWSA-N -1 0 362.382 2.268 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cncc(Br)c1 ZINC000238040930 206113133 /nfs/dbraw/zinc/11/31/33/206113133.db2.gz MXOHSSXOVSGYLO-CQSZACIVSA-N -1 0 361.195 2.496 50 0 FEAARM O=C([O-])CN(C(=O)c1cc(Br)ccc1F)C1CCOCC1 ZINC000238107556 206112446 /nfs/dbraw/zinc/11/24/46/206112446.db2.gz WTGTYNFGSJUTFD-UHFFFAOYSA-N -1 0 360.179 2.294 50 0 FEAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cncc(F)c2)cc1 ZINC000135972891 206127771 /nfs/dbraw/zinc/12/77/71/206127771.db2.gz DDGBNHOTPFQTRH-FPYGCLRLSA-N -1 0 350.371 2.138 50 0 FEAARM COc1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000790607 206132595 /nfs/dbraw/zinc/13/25/95/206132595.db2.gz RMEDAXOWLFADFH-GOSISDBHSA-N -1 0 368.389 2.367 50 0 biogenic,in-vitro FEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002121162 206152623 /nfs/dbraw/zinc/15/26/23/206152623.db2.gz MEWZCHGHCUWIQK-UHFFFAOYSA-N -1 0 373.405 2.366 50 0 biogenic FEAARM Cc1n[n-]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1=O ZINC000004248997 206171572 /nfs/dbraw/zinc/17/15/72/206171572.db2.gz QWGJEYHJVPFNAR-UHFFFAOYSA-N -1 0 360.317 2.103 50 0 FEAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccn3)cs2)no1 ZINC000006681806 206204142 /nfs/dbraw/zinc/20/41/42/206204142.db2.gz WSYDMZPVCZEZCN-UHFFFAOYSA-N -1 0 364.408 2.493 50 0 FEAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])CC2 ZINC000159770218 206225944 /nfs/dbraw/zinc/22/59/44/206225944.db2.gz DIQWQAWMKMXYLI-GWCFXTLKSA-N -1 0 371.359 2.374 50 0 FEAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccccc1C(F)(F)F ZINC000005487462 206239169 /nfs/dbraw/zinc/23/91/69/206239169.db2.gz FZBDDDGFURSGCV-UHFFFAOYSA-N -1 0 369.328 2.482 50 0 FEAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCCO2 ZINC000012548399 206294174 /nfs/dbraw/zinc/29/41/74/206294174.db2.gz DZXUCBDBWWMOOS-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM CCCn1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O ZINC000020757891 206342546 /nfs/dbraw/zinc/34/25/46/206342546.db2.gz LASZFLTWLZDASN-QGZVFWFLSA-N -1 0 368.437 2.101 50 0 FEAARM C[C@H](Oc1ccccc1CN1CCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000215364172 206345677 /nfs/dbraw/zinc/34/56/77/206345677.db2.gz PEFFNBCBBJHASS-INIZCTEOSA-N -1 0 355.438 2.251 50 0 FEAARM Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])[nH]c2c1c(C)ccc2C ZINC000218038361 206367159 /nfs/dbraw/zinc/36/71/59/206367159.db2.gz UTYJURJNGIBYKF-KGLIPLIRSA-N -1 0 360.410 2.082 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000022903545 206395461 /nfs/dbraw/zinc/39/54/61/206395461.db2.gz HWLHRMYKJUCNAI-UHFFFAOYSA-N -1 0 365.388 2.442 50 0 FEAARM CN(C)c1cccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000065624761 221236169 /nfs/dbraw/zinc/23/61/69/221236169.db2.gz FYMVDQDDUBLUNV-UHFFFAOYSA-N -1 0 354.435 2.208 50 0 FEAARM CCCc1cc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)CC2)n(C)n1 ZINC000095352255 132206786 /nfs/dbraw/zinc/20/67/86/132206786.db2.gz OUNKQWFEWLLVKN-UHFFFAOYSA-N -1 0 356.426 2.033 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000215478761 132270076 /nfs/dbraw/zinc/27/00/76/132270076.db2.gz ZMJXZHUJTBPFLO-LJQANCHMSA-N -1 0 366.417 2.175 50 0 FEAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CC[NH+](Cc1cccc(C(=O)[O-])c1)CC2 ZINC000091858084 542829316 /nfs/dbraw/zinc/82/93/16/542829316.db2.gz KAPXUWRBASESHG-AWEZNQCLSA-N -1 0 374.437 2.063 50 0 FEAARM COc1ccccc1[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C(=O)[O-] ZINC000091943996 542833284 /nfs/dbraw/zinc/83/32/84/542833284.db2.gz IXTZTZGBLCQJFE-JKSUJKDBSA-N -1 0 365.389 2.283 50 0 FEAARM CN(C)c1ccc(CCC(=O)N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)cc1 ZINC000092108034 542846454 /nfs/dbraw/zinc/84/64/54/542846454.db2.gz KCMPKDLXEBBASF-RBUKOAKNSA-N -1 0 367.449 2.407 50 0 FEAARM Cc1oc(CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1C(=O)[O-] ZINC000299749582 136122038 /nfs/dbraw/zinc/12/20/38/136122038.db2.gz KWRYEVCWOWLFSM-GFCCVEGCSA-N -1 0 372.377 2.107 50 0 FEAARM [O-]c1nnn(-c2ccccc2)c1CN1CCN(c2ccccc2O)CC1 ZINC000057085552 136128158 /nfs/dbraw/zinc/12/81/58/136128158.db2.gz VAHAACBVMTYVHC-UHFFFAOYSA-N -1 0 351.410 2.001 50 0 FEAARM Nc1cc(N2CCC[C@@](C/C=C/c3ccccc3)(C(=O)[O-])C2)nc(N)n1 ZINC000071738757 136139775 /nfs/dbraw/zinc/13/97/75/136139775.db2.gz HTOPCHZNPHMLMV-RRGNZLCHSA-N -1 0 353.426 2.416 50 0 FEAARM NC(=O)c1cccnc1N1CCC[C@](Cc2ccccc2F)(C(=O)[O-])C1 ZINC000071748300 136139943 /nfs/dbraw/zinc/13/99/43/136139943.db2.gz UWWYOJTZWAGCDE-LJQANCHMSA-N -1 0 357.385 2.234 50 0 FEAARM Nc1cc(N2CCC[C@@](CCCc3ccccc3)(C(=O)[O-])C2)nc(N)n1 ZINC000071749313 136140127 /nfs/dbraw/zinc/14/01/27/136140127.db2.gz LJIWGZSNRNUHTR-LJQANCHMSA-N -1 0 355.442 2.335 50 0 FEAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)c1 ZINC000095358615 542959152 /nfs/dbraw/zinc/95/91/52/542959152.db2.gz QQEGGQCKTQFSNF-INIZCTEOSA-N -1 0 352.456 2.295 50 0 FEAARM COc1cc(SC)c(OC)cc1CN1CCc2nc[nH]c2[C@@H]1C(=O)[O-] ZINC000095382139 542965550 /nfs/dbraw/zinc/96/55/50/542965550.db2.gz CDMNIGRNCQCKCU-MRXNPFEDSA-N -1 0 363.439 2.333 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000095390296 542968185 /nfs/dbraw/zinc/96/81/85/542968185.db2.gz HCLLITKKTCWNRZ-INIZCTEOSA-N -1 0 369.421 2.239 50 0 FEAARM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc2c1OCCO2 ZINC000095989765 542985222 /nfs/dbraw/zinc/98/52/22/542985222.db2.gz UJWJKUSBKQYROU-HNNXBMFYSA-N -1 0 361.325 2.161 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1nc(-c2ccccc2Cl)no1 ZINC000095528021 542982195 /nfs/dbraw/zinc/98/21/95/542982195.db2.gz SNVOEIGWEYGKFQ-CYBMUJFWSA-N -1 0 359.773 2.125 50 0 FEAARM CO[C@H]1CCCOC12CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC000097514333 543012819 /nfs/dbraw/zinc/01/28/19/543012819.db2.gz JBRHCKWCSNAILH-ZDUSSCGKSA-N -1 0 350.415 2.130 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101417302 543027187 /nfs/dbraw/zinc/02/71/87/543027187.db2.gz CFAGGTXHLTVVRG-SJORKVTESA-N -1 0 350.378 2.231 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000262287368 328856984 /nfs/dbraw/zinc/85/69/84/328856984.db2.gz ZVHQNFCSLJUVEL-HOCLYGCPSA-N -1 0 362.401 2.425 50 0 FEAARM Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)n(C)n1 ZINC000262407697 328863968 /nfs/dbraw/zinc/86/39/68/328863968.db2.gz CBKMMTVSGIQJBJ-HNNXBMFYSA-N -1 0 370.409 2.060 50 0 FEAARM O=C([O-])C1CCN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 ZINC000262970898 328904544 /nfs/dbraw/zinc/90/45/44/328904544.db2.gz AIQWMIRJAOZHPK-UHFFFAOYSA-N -1 0 373.384 2.364 50 0 FEAARM CN(C(=O)/C=C/c1ccc(C(=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000268941786 523771227 /nfs/dbraw/zinc/77/12/27/523771227.db2.gz KGZFJCUGOVHMJK-IEWAYXNBSA-N -1 0 365.451 2.212 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000178263433 526326657 /nfs/dbraw/zinc/32/66/57/526326657.db2.gz JCMLRSXHCUFFSD-JTQLQIEISA-N -1 0 364.199 2.386 50 0 FEAARM O=C([O-])C1(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCCCC1 ZINC000268909122 527557077 /nfs/dbraw/zinc/55/70/77/527557077.db2.gz DWIOYHKTALSKMH-UHFFFAOYSA-N -1 0 365.817 2.387 50 0 FEAARM O=C([O-])CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000193461014 527594135 /nfs/dbraw/zinc/59/41/35/527594135.db2.gz RAMVMVFRIPQZFU-DOTOQJQBSA-N -1 0 358.438 2.500 50 0 FEAARM O=C([O-])COc1ccc(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000269052029 527617786 /nfs/dbraw/zinc/61/77/86/527617786.db2.gz VUGOPZKVCHUORD-UHFFFAOYSA-N -1 0 368.389 2.007 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000299745656 527648528 /nfs/dbraw/zinc/64/85/28/527648528.db2.gz RQLJDTYZCNIRHU-SJORKVTESA-N -1 0 368.364 2.423 50 0 FEAARM CC1(C)[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)[C@H]2CCO[C@H]21 ZINC000230217355 548758835 /nfs/dbraw/zinc/75/88/35/548758835.db2.gz JTXIXMULKXNEGE-DAXOMENPSA-N -1 0 373.478 2.005 50 0 FEAARM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236650213 548771179 /nfs/dbraw/zinc/77/11/79/548771179.db2.gz AHCFMGGSFMCJPR-OAHLLOKOSA-N -1 0 371.437 2.486 50 0 FEAARM CC(C)(C)c1noc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000236746336 548777445 /nfs/dbraw/zinc/77/74/45/548777445.db2.gz RKYLMJNNIMAEBL-CQSZACIVSA-N -1 0 357.410 2.338 50 0 FEAARM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237036086 548796232 /nfs/dbraw/zinc/79/62/32/548796232.db2.gz UFDVZWSRUPLCAY-INIZCTEOSA-N -1 0 356.353 2.401 50 0 FEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)nnn1-c1ccc(Cl)cc1F ZINC000237726805 548847457 /nfs/dbraw/zinc/84/74/57/548847457.db2.gz MSLUDPNRHDHLIB-UHFFFAOYSA-N -1 0 352.753 2.057 50 0 FEAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000238162823 548880860 /nfs/dbraw/zinc/88/08/60/548880860.db2.gz LFPKMTWYRXVILF-UHFFFAOYSA-N -1 0 366.483 2.125 50 0 FEAARM COc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(OC)cc1Cl ZINC000252511099 549671232 /nfs/dbraw/zinc/67/12/32/549671232.db2.gz ZTUBWXDDYWDIPA-UHFFFAOYSA-N -1 0 370.814 2.257 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000261841327 549761583 /nfs/dbraw/zinc/76/15/83/549761583.db2.gz PDFNRBBORNLGLK-NSHDSACASA-N -1 0 360.391 2.476 50 0 FEAARM CCCOc1c(Cl)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OCC ZINC000262952517 549865615 /nfs/dbraw/zinc/86/56/15/549865615.db2.gz JBCCOAWQQFHGFX-CQSZACIVSA-N -1 0 371.817 2.453 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2COc3ccccc32)ccc1OCC(=O)[O-] ZINC000268897248 550128588 /nfs/dbraw/zinc/12/85/88/550128588.db2.gz KXGCRTFPRWGLRL-CQSZACIVSA-N -1 0 357.362 2.412 50 0 FEAARM O=C([O-])CCNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364828380 555409353 /nfs/dbraw/zinc/40/93/53/555409353.db2.gz AQNMNJIPFMLCCA-SNVBAGLBSA-N -1 0 365.739 2.314 50 0 FEAARM CCn1cc(Br)cc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000408513274 558685422 /nfs/dbraw/zinc/68/54/22/558685422.db2.gz KMDGNIGTPVCMOT-UHFFFAOYSA-N -1 0 373.247 2.366 50 0 FEAARM O=C([O-])CCN(C(=O)c1cc(Cl)c2c(c1)OCCO2)C1CCOCC1 ZINC000408513365 558685897 /nfs/dbraw/zinc/68/58/97/558685897.db2.gz YFJGGQLQGIPIDZ-UHFFFAOYSA-N -1 0 369.801 2.207 50 0 FEAARM CCOc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)C(C)C ZINC000101803545 570824249 /nfs/dbraw/zinc/82/42/49/570824249.db2.gz FZLUFUOOXYPHTF-UHFFFAOYSA-N -1 0 369.425 2.314 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)NCc3ccc(C)nc3)cc2[n-]c1=S ZINC000103549097 570851317 /nfs/dbraw/zinc/85/13/17/570851317.db2.gz FYCCSDFMEFEQMI-UHFFFAOYSA-N -1 0 354.435 2.339 50 0 FEAARM O=C([O-])Cn1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 ZINC000663144462 571122840 /nfs/dbraw/zinc/12/28/40/571122840.db2.gz COXOJWNXECALEM-UHFFFAOYSA-N -1 0 362.773 2.000 50 0 FEAARM COCC1(CNS(=O)(=O)c2cc(Cl)sc2C(=O)[O-])CCC1 ZINC000670451697 571352492 /nfs/dbraw/zinc/35/24/92/571352492.db2.gz AZJJIAPASUKGKO-UHFFFAOYSA-N -1 0 353.849 2.195 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CCO1 ZINC000669503374 598209266 /nfs/dbraw/zinc/20/92/66/598209266.db2.gz FEJHUCFDQAGRAP-QWHCGFSZSA-N -1 0 360.332 2.045 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CCO1 ZINC000669503373 598209340 /nfs/dbraw/zinc/20/93/40/598209340.db2.gz FEJHUCFDQAGRAP-OLZOCXBDSA-N -1 0 360.332 2.045 50 0 FEAARM O=C([O-])CC1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CCCCC1 ZINC000663118987 601185448 /nfs/dbraw/zinc/18/54/48/601185448.db2.gz BFVGEAHOHOMWGL-INIZCTEOSA-N -1 0 373.453 2.228 50 0 FEAARM Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c2c(n1)onc2C(C)C ZINC000663122376 601330247 /nfs/dbraw/zinc/33/02/47/601330247.db2.gz FYKCATAZHIRORM-UHFFFAOYSA-N -1 0 361.398 2.408 50 0 FEAARM N#Cc1ccc(OCC(=O)NN=C(CCC(=O)[O-])c2cccs2)cc1 ZINC000254295321 672879750 /nfs/dbraw/zinc/87/97/50/672879750.db2.gz SMHCCDAVMRMMTF-UHFFFAOYSA-N -1 0 357.391 2.384 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630175036 676885598 /nfs/dbraw/zinc/88/55/98/676885598.db2.gz PJVBRNNMCYCQMV-IGQOVBAYSA-N -1 0 350.212 2.410 50 0 FEAARM C[C@@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CO1 ZINC000668291987 679162705 /nfs/dbraw/zinc/16/27/05/679162705.db2.gz ZVCFKVYDHAKGDB-PWSUYJOCSA-N -1 0 356.216 2.287 50 0 FEAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H]2C[C@]2(C(F)(F)F)C1 ZINC000888092764 688545359 /nfs/dbraw/zinc/54/53/59/688545359.db2.gz ZMMMIGVJOQVGPH-BONVTDFDSA-N -1 0 354.332 2.005 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1 ZINC000009737359 539507063 /nfs/dbraw/zinc/50/70/63/539507063.db2.gz IJJBLJYEMIEOCP-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM C[C@H]1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CCO1 ZINC000011500398 539529546 /nfs/dbraw/zinc/52/95/46/539529546.db2.gz TXHNRBJIXCDOEO-JTQLQIEISA-N -1 0 355.316 2.458 50 0 FEAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2[nH]c4ccccc4n23)cc1 ZINC000012321272 539554606 /nfs/dbraw/zinc/55/46/06/539554606.db2.gz LIAYBCAOAPHQJP-LBPRGKRZSA-N -1 0 374.356 2.348 50 0 FEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCC(C)C)c2=O ZINC000012416134 539559260 /nfs/dbraw/zinc/55/92/60/539559260.db2.gz SIRBYFVSRYQUPX-UHFFFAOYSA-N -1 0 363.439 2.008 50 0 FEAARM Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)[O-])S3)n1 ZINC000013013823 539582120 /nfs/dbraw/zinc/58/21/20/539582120.db2.gz LCADZEIPAVWYOX-ZDUSSCGKSA-N -1 0 368.422 2.282 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013003849 539582354 /nfs/dbraw/zinc/58/23/54/539582354.db2.gz HCKZEGBXYVWCGS-MNOVXSKESA-N -1 0 363.366 2.096 50 0 FEAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000014256940 539600763 /nfs/dbraw/zinc/60/07/63/539600763.db2.gz MLMSFCLTVBGRAO-UHFFFAOYSA-N -1 0 370.434 2.389 50 0 FEAARM Cc1sc(NC(=O)COCC(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017073309 539638995 /nfs/dbraw/zinc/63/89/95/539638995.db2.gz SMOQWZOWEBXDLX-UHFFFAOYSA-N -1 0 354.428 2.077 50 0 FEAARM CCOC(=O)c1ccoc1COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000018263392 539648952 /nfs/dbraw/zinc/64/89/52/539648952.db2.gz VQXLAQYNUMOSGV-UHFFFAOYSA-N -1 0 367.379 2.185 50 0 FEAARM CCOC(=O)N1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000020502746 539674898 /nfs/dbraw/zinc/67/48/98/539674898.db2.gz ABEZMYCAMQCYLO-UHFFFAOYSA-N -1 0 366.801 2.426 50 0 FEAARM O=C([O-])CN1CCC[C@@H]1c1ccc(C(=O)NCc2[nH]nc3c2CCC3)s1 ZINC000023153391 539707251 /nfs/dbraw/zinc/70/72/51/539707251.db2.gz QCJIVJVHVLRLCG-CQSZACIVSA-N -1 0 374.466 2.111 50 0 FEAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157464 539708248 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COc1ccc(CC2(C(=O)[O-])CCN(c3ncc(C)c(N)n3)CC2)cc1 ZINC000067879863 541523821 /nfs/dbraw/zinc/52/38/21/541523821.db2.gz JZKIHNSRFHQCJQ-UHFFFAOYSA-N -1 0 356.426 2.290 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc3c(c2)CCO3)cc1 ZINC000069602651 541698833 /nfs/dbraw/zinc/69/88/33/541698833.db2.gz PKWDERXOXKKZCV-OQFOIZHKSA-N -1 0 359.403 2.148 50 0 FEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000071284583 541765699 /nfs/dbraw/zinc/76/56/99/541765699.db2.gz KURYWWLVUKCXSK-IAGOWNOFSA-N -1 0 373.453 2.406 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000071283223 541765945 /nfs/dbraw/zinc/76/59/45/541765945.db2.gz ZCFZBOUVJMLFEA-UHFFFAOYSA-N -1 0 352.306 2.272 50 0 FEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ncc3ccccc32)c1 ZINC000071748214 541769822 /nfs/dbraw/zinc/76/98/22/541769822.db2.gz OREZTETUCCBVDR-UHFFFAOYSA-N -1 0 359.407 2.410 50 0 FEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000072408515 541806372 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O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000004834081 204167868 /nfs/dbraw/zinc/16/78/68/204167868.db2.gz UYBBALVEQPFSCM-UHFFFAOYSA-N -1 0 373.369 2.230 50 0 FEAARM CCOC(=O)c1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000004318888 204132754 /nfs/dbraw/zinc/13/27/54/204132754.db2.gz PWSBJHFYYSSHSE-HNNXBMFYSA-N -1 0 360.366 2.028 50 0 FEAARM O=C([O-])c1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1 ZINC000004539283 204146251 /nfs/dbraw/zinc/14/62/51/204146251.db2.gz MRNHZZIISVPZQS-UHFFFAOYSA-N -1 0 373.369 2.230 50 0 FEAARM COc1cccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nnn[n-]2)c1 ZINC000005671092 204219789 /nfs/dbraw/zinc/21/97/89/204219789.db2.gz RIFRFCWDLJMRNK-CQSZACIVSA-N -1 0 353.382 2.182 50 0 FEAARM CONC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000008746691 204343787 /nfs/dbraw/zinc/34/37/87/204343787.db2.gz NYXAIZRWFOGXCB-UHFFFAOYSA-N -1 0 350.396 2.096 50 0 FEAARM O=C([O-])C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013256771 204526359 /nfs/dbraw/zinc/52/63/59/204526359.db2.gz 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CC(C)[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000299743415 205124571 /nfs/dbraw/zinc/12/45/71/205124571.db2.gz KZMAHCZVDKOLMY-PBHICJAKSA-N -1 0 359.488 2.082 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2OCc2cscn2)CCO1 ZINC000299747179 205126195 /nfs/dbraw/zinc/12/61/95/205126195.db2.gz CHTLYZGKHHYQOK-CYBMUJFWSA-N -1 0 362.407 2.038 50 0 FEAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)N1C[C@@H]1CCCO1 ZINC000057478216 205241107 /nfs/dbraw/zinc/24/11/07/205241107.db2.gz XRLLCWHBZQCEOX-JTQLQIEISA-N -1 0 371.315 2.334 50 0 FEAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000058495007 205275852 /nfs/dbraw/zinc/27/58/52/205275852.db2.gz IEUPOVYBVJCZEY-UHFFFAOYSA-N -1 0 363.391 2.153 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000065196137 205322787 /nfs/dbraw/zinc/32/27/87/205322787.db2.gz BIOQKJIBKYWZPH-UHFFFAOYSA-N -1 0 366.464 2.462 50 0 FEAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)s1 ZINC000065398918 205346279 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FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nncn1-c1ccccc1 ZINC000237969004 206112069 /nfs/dbraw/zinc/11/20/69/206112069.db2.gz QCFZWKNDBHSUOW-XIRDDKMYSA-N -1 0 368.437 2.444 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000238035430 206112428 /nfs/dbraw/zinc/11/24/28/206112428.db2.gz ZSBNQWJORVMGAF-DOTOQJQBSA-N -1 0 350.374 2.151 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000238033195 206112666 /nfs/dbraw/zinc/11/26/66/206112666.db2.gz ZSBNQWJORVMGAF-NVXWUHKLSA-N -1 0 350.374 2.151 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000002103803 206153168 /nfs/dbraw/zinc/15/31/68/206153168.db2.gz FQRHUHMCZUITNO-HNNXBMFYSA-N -1 0 361.394 2.268 50 0 biogenic FEAARM Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H]3C(=O)[O-])c(C)c2oc1=O ZINC000004061978 206167241 /nfs/dbraw/zinc/16/72/41/206167241.db2.gz CILMVYLOUANTLX-CQSZACIVSA-N -1 0 359.378 2.173 50 0 biogenic FEAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])OC(C)(C)CC3 ZINC000008879447 206219554 /nfs/dbraw/zinc/21/95/54/206219554.db2.gz OXJFHPOCYUFVBN-UHFFFAOYSA-N -1 0 373.405 2.338 50 0 FEAARM CC1(C)C[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000155918464 206221927 /nfs/dbraw/zinc/22/19/27/206221927.db2.gz SHAZPYZQMBEUFJ-GFCCVEGCSA-N -1 0 361.467 2.149 50 0 FEAARM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000170653565 206278496 /nfs/dbraw/zinc/27/84/96/206278496.db2.gz OOWYGXUGJDRRGO-IUODEOHRSA-N -1 0 361.467 2.393 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013031826 206300663 /nfs/dbraw/zinc/30/06/63/206300663.db2.gz LVPVUAOFLUAXGB-BPUTZDHNSA-N -1 0 351.424 2.296 50 0 FEAARM COC(=O)C[C@@H](c1ccccc1OC)c1c(=O)nc2ccccn2c1[O-] ZINC000205978370 206337143 /nfs/dbraw/zinc/33/71/43/206337143.db2.gz HVUDPQWHDJCYPG-ZDUSSCGKSA-N -1 0 354.362 2.104 50 0 FEAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1 ZINC000022459000 206378305 /nfs/dbraw/zinc/37/83/05/206378305.db2.gz 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2.411 50 0 FEAARM O=C([O-])[C@@H]1[C@@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583056 204044786 /nfs/dbraw/zinc/04/47/86/204044786.db2.gz NQSYYVTUCHIRTM-ROUUACIJSA-N -1 0 353.374 2.455 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCn2c3ccccc3nc21 ZINC000005353473 204205184 /nfs/dbraw/zinc/20/51/84/204205184.db2.gz QCVVONHUFMFYEJ-HNNXBMFYSA-N -1 0 350.378 2.262 50 0 FEAARM COc1ccc(C[C@@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c(OC)c1 ZINC000005483644 204211548 /nfs/dbraw/zinc/21/15/48/204211548.db2.gz MKZSIHTWWZACIK-CYBMUJFWSA-N -1 0 371.372 2.321 50 0 FEAARM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899868 204174231 /nfs/dbraw/zinc/17/42/31/204174231.db2.gz GOUUPUICWUFXPM-KZULUSFZSA-N -1 0 353.374 2.455 50 0 FEAARM COc1cc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)ccc1O ZINC000005682087 204220910 /nfs/dbraw/zinc/22/09/10/204220910.db2.gz PLUBBLAPBRMNRM-CQSZACIVSA-N -1 0 367.409 2.496 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000007323943 204295721 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Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000041616241 205090864 /nfs/dbraw/zinc/09/08/64/205090864.db2.gz YRRYZZFVWCRMFV-UHFFFAOYSA-N -1 0 351.338 2.050 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)o1 ZINC000299740539 205117688 /nfs/dbraw/zinc/11/76/88/205117688.db2.gz BLFVNHCVBZAAGG-UHFFFAOYSA-N -1 0 363.757 2.091 50 0 FEAARM CN1C(=O)CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1cccc(Cl)c1 ZINC000299743896 205124991 /nfs/dbraw/zinc/12/49/91/205124991.db2.gz PYFNTZWEYUVEEQ-NOLJZWGESA-N -1 0 364.829 2.183 50 0 FEAARM CN1C(=O)C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000299746579 205125883 /nfs/dbraw/zinc/12/58/83/205125883.db2.gz YFCNYZOIOBUHFR-UFDFEIGVSA-N -1 0 350.440 2.027 50 0 FEAARM CCOc1cc(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)ccc1OCC(=O)[O-] ZINC000299749103 205128449 /nfs/dbraw/zinc/12/84/49/205128449.db2.gz JGFFVTZQMSAKPS-BEFAXECRSA-N -1 0 365.426 2.482 50 0 FEAARM C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1Br ZINC000299753647 205134432 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Cc1cccc([C@@H](NC(=O)Cc2cc(=O)[nH][n-]c2=O)c2cccs2)c1 ZINC000067677801 205381648 /nfs/dbraw/zinc/38/16/48/205381648.db2.gz WJEFIFZKUOBRGG-QGZVFWFLSA-N -1 0 355.419 2.294 50 0 FEAARM Cc1n[nH]c(C)c1[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000067688579 205383703 /nfs/dbraw/zinc/38/37/03/205383703.db2.gz DTIXCPGLWRCDEQ-HNNXBMFYSA-N -1 0 351.428 2.254 50 0 FEAARM Cc1ccn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000071765219 205445399 /nfs/dbraw/zinc/44/53/99/205445399.db2.gz XAIIBHAEKHQBQC-UHFFFAOYSA-N -1 0 363.439 2.444 50 0 FEAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)CCCc1ccccc1)CC2 ZINC000091664765 205686119 /nfs/dbraw/zinc/68/61/19/205686119.db2.gz XLHWSMBTTWSAHG-UHFFFAOYSA-N -1 0 372.465 2.325 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cnc3ccnn3c2C)C[C@H]1C(=O)[O-] ZINC000091725874 205689854 /nfs/dbraw/zinc/68/98/54/205689854.db2.gz SCYHHPYQWGYVJD-DLBZAZTESA-N -1 0 364.405 2.287 50 0 FEAARM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c1 ZINC000095384572 205747545 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Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237825366 206108479 /nfs/dbraw/zinc/10/84/79/206108479.db2.gz HIEXHWRKRGLICM-KBOKABMXSA-N -1 0 369.421 2.204 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000238120157 206112969 /nfs/dbraw/zinc/11/29/69/206112969.db2.gz SRJLJKNAAHAGHI-GOSISDBHSA-N -1 0 372.396 2.214 50 0 FEAARM O=C([O-])CCN(C(=O)c1c(Cl)nc2ccccn21)C1CCOCC1 ZINC000238073142 206113924 /nfs/dbraw/zinc/11/39/24/206113924.db2.gz WIONCUGMPXMUHV-UHFFFAOYSA-N -1 0 351.790 2.084 50 0 FEAARM CN1CC[C@@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O ZINC000124411132 206115115 /nfs/dbraw/zinc/11/51/15/206115115.db2.gz PYYPABWMARGRTR-MSOLQXFVSA-N -1 0 368.433 2.068 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1 ZINC000238197978 206115284 /nfs/dbraw/zinc/11/52/84/206115284.db2.gz KGOFQSQZFGLLBS-SNVBAGLBSA-N -1 0 350.758 2.311 50 0 FEAARM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000150844306 206147937 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O=C([O-])COc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1 ZINC000058496576 540845782 /nfs/dbraw/zinc/84/57/82/540845782.db2.gz CFUYMCRWODEETJ-UHFFFAOYSA-N -1 0 351.355 2.041 50 0 FEAARM Cc1nnsc1C(=O)[N-]c1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000062022963 541144088 /nfs/dbraw/zinc/14/40/88/541144088.db2.gz NPUXDZOPSLXGRG-JTQLQIEISA-N -1 0 370.394 2.002 50 0 FEAARM O=C([O-])[C@@H]1CN(c2nc3ccccc3s2)CCN1Cc1cccnc1 ZINC000071750511 541770204 /nfs/dbraw/zinc/77/02/04/541770204.db2.gz VVBGLQZQAITJHT-HNNXBMFYSA-N -1 0 354.435 2.467 50 0 FEAARM CN1c2ccccc2[C@](CCC(=O)NCC(=O)[O-])(Cc2ccccc2)C1=O ZINC000071776471 541772355 /nfs/dbraw/zinc/77/23/55/541772355.db2.gz MFMNOUBLHXPAFY-NRFANRHFSA-N -1 0 366.417 2.125 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1nc(-c3ccccc3)no1)CC2 ZINC000072137229 541786019 /nfs/dbraw/zinc/78/60/19/541786019.db2.gz SEQVXBLDLFRNPF-HNNXBMFYSA-N -1 0 370.409 2.029 50 0 FEAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CCN3CCCCC3=O)C2)c1 ZINC000072134564 541785763 /nfs/dbraw/zinc/78/57/63/541785763.db2.gz QIEJQHSRVREUIG-INIZCTEOSA-N -1 0 358.438 2.178 50 0 FEAARM CCOC(=O)C[C@H](c1cnn(C)c1C)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072405828 541805809 /nfs/dbraw/zinc/80/58/09/541805809.db2.gz FVALNBYWFJAJOV-CYBMUJFWSA-N -1 0 355.394 2.361 50 0 FEAARM O=C([O-])c1nccnc1C(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000072406368 541805939 /nfs/dbraw/zinc/80/59/39/541805939.db2.gz BLLNDQXLGYSLHY-UHFFFAOYSA-N -1 0 371.784 2.218 50 0 FEAARM O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000072409294 541806913 /nfs/dbraw/zinc/80/69/13/541806913.db2.gz VWOIYXSQVGNTAM-UHFFFAOYSA-N -1 0 358.369 2.288 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@@H]3COc4ccccc4O3)n2)c1 ZINC000072412025 541807608 /nfs/dbraw/zinc/80/76/08/541807608.db2.gz PUMSXOVKCBJJAS-CYBMUJFWSA-N -1 0 364.361 2.489 50 0 FEAARM Cc1ccn(CCC(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)n1 ZINC000072434619 541813539 /nfs/dbraw/zinc/81/35/39/541813539.db2.gz PPHUXDUJSFRKCW-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ccccc3-n3cncn3)n2)c1 ZINC000072470674 541818950 /nfs/dbraw/zinc/81/89/50/541818950.db2.gz NBZFABMROCPVER-UHFFFAOYSA-N -1 0 373.376 2.430 50 0 FEAARM CC(C)n1ccnc1CN1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072448077 541815995 /nfs/dbraw/zinc/81/59/95/541815995.db2.gz SAEMDLDTPXPYMT-MRXNPFEDSA-N -1 0 374.485 2.142 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000072480613 541821759 /nfs/dbraw/zinc/82/17/59/541821759.db2.gz DIJGZDIVRQEIFK-UHFFFAOYSA-N -1 0 357.410 2.077 50 0 FEAARM CCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002087785 204025736 /nfs/dbraw/zinc/02/57/36/204025736.db2.gz XSPWYPLOZXECSF-MRXNPFEDSA-N -1 0 373.405 2.420 50 0 biogenic FEAARM CCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002094504 204026307 /nfs/dbraw/zinc/02/63/07/204026307.db2.gz LGRLFDAKTSTCQD-AWEZNQCLSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c12 ZINC000002112955 204026334 /nfs/dbraw/zinc/02/63/34/204026334.db2.gz YDLMELFXYPSBPD-NWDGAFQWSA-N -1 0 361.394 2.411 50 0 biogenic FEAARM CCOc1cc2[n-]c(=S)n(CC(OC)OC)c(=O)c2cc1OCC ZINC000003010175 204072879 /nfs/dbraw/zinc/07/28/79/204072879.db2.gz HKRDCCDYZUNNJO-UHFFFAOYSA-N -1 0 354.428 2.475 50 0 FEAARM CC(C)(C)OC(=O)N[C@@H]1CSc2ccccc2N(CC(=O)[O-])C1=O ZINC000002583993 204045647 /nfs/dbraw/zinc/04/56/47/204045647.db2.gz BNDWQYMZOLVICH-SNVBAGLBSA-N -1 0 352.412 2.103 50 0 FEAARM O=C([N-]C1=NCCS1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002625591 204046918 /nfs/dbraw/zinc/04/69/18/204046918.db2.gz RCGALYQQCJCLMI-UHFFFAOYSA-N -1 0 364.430 2.277 50 0 FEAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3F)n2)c(C)n1 ZINC000002792667 204058478 /nfs/dbraw/zinc/05/84/78/204058478.db2.gz DHJNTIDLJKUAMF-UHFFFAOYSA-N -1 0 363.418 2.396 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000002805616 204059309 /nfs/dbraw/zinc/05/93/09/204059309.db2.gz WETCMGGGVUDJTI-UHFFFAOYSA-N -1 0 369.406 2.400 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004081999 204120348 /nfs/dbraw/zinc/12/03/48/204120348.db2.gz ZWMSMMYCLMIXIK-INIZCTEOSA-N -1 0 371.389 2.126 50 0 biogenic FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1 ZINC000004763486 204161807 /nfs/dbraw/zinc/16/18/07/204161807.db2.gz RYABDRSDEFBXIE-KRWDZBQOSA-N -1 0 370.405 2.115 50 0 FEAARM O=C([O-])c1cc(Br)cc(S(=O)(=O)NCc2ccco2)c1 ZINC000004294644 204130887 /nfs/dbraw/zinc/13/08/87/204130887.db2.gz OHIIFCLMOYGSHM-UHFFFAOYSA-N -1 0 360.185 2.219 50 0 FEAARM COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(C(C)=O)c-2c1=O ZINC000005021981 204184938 /nfs/dbraw/zinc/18/49/38/204184938.db2.gz WRJOXENWIHHHEC-FUHWJXTLSA-N -1 0 363.373 2.018 50 0 FEAARM COc1cc(C(=O)N/C(=C\c2ccc(O)cc2)C(=O)[O-])cc(OC)c1OC ZINC000005019795 204185243 /nfs/dbraw/zinc/18/52/43/204185243.db2.gz BXXXTIHDAZHFMN-ZSOIEALJSA-N -1 0 373.361 2.274 50 0 FEAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000005198087 204197237 /nfs/dbraw/zinc/19/72/37/204197237.db2.gz USJYSBQUOZDLQP-UHFFFAOYSA-N -1 0 358.737 2.273 50 0 FEAARM Cc1ccc(S(=O)(=O)n2ccc3c2cccc3OCc2nnn[n-]2)cc1 ZINC000005739269 204223738 /nfs/dbraw/zinc/22/37/38/204223738.db2.gz YOJJGSAUGLOMJU-UHFFFAOYSA-N -1 0 369.406 2.279 50 0 FEAARM O=C([O-])C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 ZINC000035587875 204319321 /nfs/dbraw/zinc/31/93/21/204319321.db2.gz ZMGOTCOTABWBMY-JTQLQIEISA-N -1 0 362.798 2.357 50 0 FEAARM O=C([O-])COc1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 ZINC000008179860 204320297 /nfs/dbraw/zinc/32/02/97/204320297.db2.gz PGBCTIHFWHVRJL-AUWJEWJLSA-N -1 0 367.313 2.223 50 0 FEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)OC ZINC000009338368 204363427 /nfs/dbraw/zinc/36/34/27/204363427.db2.gz AHQVEYBSUUOKHX-UHFFFAOYSA-N -1 0 369.420 2.431 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009338446 204365149 /nfs/dbraw/zinc/36/51/49/204365149.db2.gz QEDHWMWGXQUCAC-UHFFFAOYSA-N -1 0 374.418 2.386 50 0 FEAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000009926548 204386274 /nfs/dbraw/zinc/38/62/74/204386274.db2.gz MRIVEXVONYJRKB-CYBMUJFWSA-N -1 0 370.327 2.134 50 0 FEAARM CS(=O)(=O)Cc1cccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000013450335 204530787 /nfs/dbraw/zinc/53/07/87/204530787.db2.gz VKIAKDRPSPCIIG-UHFFFAOYSA-N -1 0 359.403 2.132 50 0 FEAARM COc1cc(NC(=O)c2nccnc2C(=O)[O-])ccc1-c1ccc(CO)o1 ZINC000070666354 205025012 /nfs/dbraw/zinc/02/50/12/205025012.db2.gz FSLMTNMHHQYWLW-UHFFFAOYSA-N -1 0 369.333 2.188 50 0 FEAARM COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000070666304 205025446 /nfs/dbraw/zinc/02/54/46/205025446.db2.gz PBWCYOHYYMLSNC-RYUDHWBXSA-N -1 0 360.366 2.258 50 0 FEAARM CCOc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000042289887 205093927 /nfs/dbraw/zinc/09/39/27/205093927.db2.gz PAXDLCYPSSEEGV-YFHOEESVSA-N -1 0 350.396 2.208 50 0 FEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000299739419 205116523 /nfs/dbraw/zinc/11/65/23/205116523.db2.gz OFHKFLOIFHATOC-UHFFFAOYSA-N -1 0 368.315 2.284 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000299741666 205123587 /nfs/dbraw/zinc/12/35/87/205123587.db2.gz ACMVJATUWJHPDQ-PBHICJAKSA-N -1 0 357.410 2.160 50 0 FEAARM CCOc1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000299746844 205126098 /nfs/dbraw/zinc/12/60/98/205126098.db2.gz BHPFJQXXSFRKHA-CQSZACIVSA-N -1 0 362.407 2.134 50 0 FEAARM CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299747049 205126250 /nfs/dbraw/zinc/12/62/50/205126250.db2.gz BZBUEBZJJGOTPF-LRDDRELGSA-N -1 0 357.353 2.070 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000299745514 205127118 /nfs/dbraw/zinc/12/71/18/205127118.db2.gz ZUXCDCPUXSXBLQ-MWLCHTKSSA-N -1 0 371.220 2.279 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000299748109 205127724 /nfs/dbraw/zinc/12/77/24/205127724.db2.gz GAZSCCVJGGKKOV-GFCCVEGCSA-N -1 0 369.801 2.207 50 0 FEAARM Cc1oc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000299748320 205128608 /nfs/dbraw/zinc/12/86/08/205128608.db2.gz GXKUOYMMOYCYKI-UHFFFAOYSA-N -1 0 356.378 2.339 50 0 FEAARM O=C([O-])CCc1cn(C[C@@H]2CCCN(C(=O)Nc3cccs3)C2)nn1 ZINC000063857287 205295249 /nfs/dbraw/zinc/29/52/49/205295249.db2.gz RJMCAJFEEGCOKI-GFCCVEGCSA-N -1 0 363.443 2.301 50 0 FEAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCc2ccc(F)cc21 ZINC000058496551 205275885 /nfs/dbraw/zinc/27/58/85/205275885.db2.gz PDRYPYODFGVBCW-UHFFFAOYSA-N -1 0 365.382 2.213 50 0 FEAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@H]1COCCO1 ZINC000064820800 205305510 /nfs/dbraw/zinc/30/55/10/205305510.db2.gz LMTIMGNMCBMTIK-AWEZNQCLSA-N -1 0 350.415 2.365 50 0 FEAARM COc1cc(OC)c(NC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1Cl ZINC000067225528 205368333 /nfs/dbraw/zinc/36/83/33/205368333.db2.gz RESKTPOAIYAUPZ-UHFFFAOYSA-N -1 0 362.773 2.254 50 0 FEAARM CC(=O)Oc1ccc2occ([C@H]3N[C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 ZINC000074938362 205571110 /nfs/dbraw/zinc/57/11/10/205571110.db2.gz PFFPHYYANJHODY-GJZGRUSLSA-N -1 0 363.391 2.285 50 0 FEAARM COc1cccc([C@@H](C)NC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)c1 ZINC000095388060 205750776 /nfs/dbraw/zinc/75/07/76/205750776.db2.gz ANJCTURDUCDAKN-GFCCVEGCSA-N -1 0 353.378 2.242 50 0 FEAARM COc1ccccc1-n1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000095527509 205785068 /nfs/dbraw/zinc/78/50/68/205785068.db2.gz HLWXTGRJYIKLHD-INIZCTEOSA-N -1 0 365.389 2.307 50 0 FEAARM CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C[C@H]1O ZINC000095993561 205800744 /nfs/dbraw/zinc/80/07/44/205800744.db2.gz BUJOZRWSCWJQEM-DZGCQCFKSA-N -1 0 372.462 2.066 50 0 FEAARM Cc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])C3CCOCC3)[nH]n2)cc1 ZINC000237700842 206106809 /nfs/dbraw/zinc/10/68/09/206106809.db2.gz DISUHONEMPWFQZ-UHFFFAOYSA-N -1 0 357.410 2.481 50 0 FEAARM O=C([O-])c1ccc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000238058896 206113243 /nfs/dbraw/zinc/11/32/43/206113243.db2.gz INNJQHKVXFKGJR-SFHVURJKSA-N -1 0 352.390 2.017 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cc1ccccc1Br ZINC000238102613 206114018 /nfs/dbraw/zinc/11/40/18/206114018.db2.gz NCPCLGINQXEKFA-CYBMUJFWSA-N -1 0 370.243 2.474 50 0 FEAARM Cc1ccc(Br)cc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237782172 206109218 /nfs/dbraw/zinc/10/92/18/206109218.db2.gz LUXOEWKXRIXMNG-UHFFFAOYSA-N -1 0 356.216 2.463 50 0 FEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1nncn1-c1ccccc1 ZINC000237982778 206111306 /nfs/dbraw/zinc/11/13/06/206111306.db2.gz LTFWKBBPAQFRCI-MRXNPFEDSA-N -1 0 356.426 2.446 50 0 FEAARM COc1ccc2c(CC(=O)NCC3CCC(C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000002341140 206154848 /nfs/dbraw/zinc/15/48/48/206154848.db2.gz LBLFHHDKTGQRRO-UHFFFAOYSA-N -1 0 373.405 2.351 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1O ZINC000006848326 206243477 /nfs/dbraw/zinc/24/34/77/206243477.db2.gz KEMJYOYUWZTBRL-UHFFFAOYSA-N -1 0 355.799 2.265 50 0 FEAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 ZINC000006576850 206244093 /nfs/dbraw/zinc/24/40/93/206244093.db2.gz GLRLETCXFWLLIY-OYNCUSHFSA-N -1 0 369.807 2.316 50 0 FEAARM O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000170631963 206277107 /nfs/dbraw/zinc/27/71/07/206277107.db2.gz JVTMDFADQIYROG-ZDUSSCGKSA-N -1 0 359.451 2.495 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000012557164 206294096 /nfs/dbraw/zinc/29/40/96/206294096.db2.gz CVQVHACYPNIZCE-UHFFFAOYSA-N -1 0 360.391 2.078 50 0 FEAARM CC(=O)c1cccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000013031880 206300569 /nfs/dbraw/zinc/30/05/69/206300569.db2.gz UPRNSKMNKYFRGY-BPUTZDHNSA-N -1 0 351.424 2.296 50 0 FEAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458787 206378098 /nfs/dbraw/zinc/37/80/98/206378098.db2.gz IXCNBQPSPJNLEH-OAHLLOKOSA-N -1 0 357.483 2.450 50 0 FEAARM Cc1cc(O)ccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000220295197 206399182 /nfs/dbraw/zinc/39/91/82/206399182.db2.gz SEWPDYCYVQGTSH-QZTJIDSGSA-N -1 0 371.389 2.365 50 0 FEAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)Cc1ccc(C)c(C)c1)CC2 ZINC000082161652 542686574 /nfs/dbraw/zinc/68/65/74/542686574.db2.gz UOGUSZZEQHRJDE-GOSISDBHSA-N -1 0 372.465 2.160 50 0 FEAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(c3nc(C)cnc3C)CC2)cc1 ZINC000095390604 132210375 /nfs/dbraw/zinc/21/03/75/132210375.db2.gz PHQVXQUIJXKQBF-KRWDZBQOSA-N -1 0 356.426 2.050 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1c1ccccc1 ZINC000091536576 542811915 /nfs/dbraw/zinc/81/19/15/542811915.db2.gz RSVVOXZOYYZGIR-ZWKOTPCHSA-N -1 0 362.385 2.469 50 0 FEAARM CC[C@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1cc(C)ccn1 ZINC000091645786 542818329 /nfs/dbraw/zinc/81/83/29/542818329.db2.gz KXEZGRGKPOTEAO-HNNXBMFYSA-N -1 0 352.394 2.327 50 0 FEAARM Cc1ccc(O)c(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1 ZINC000091657207 542818906 /nfs/dbraw/zinc/81/89/06/542818906.db2.gz JGLMTDHIUWLEJX-LSDHHAIUSA-N -1 0 369.373 2.370 50 0 FEAARM 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CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000012521017 539562207 /nfs/dbraw/zinc/56/22/07/539562207.db2.gz NUBIAYLNJQVHBJ-UHFFFAOYSA-N -1 0 372.443 2.315 50 0 FEAARM O=C([O-])c1ccccc1SCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000012940539 539579893 /nfs/dbraw/zinc/57/98/93/539579893.db2.gz WHFMEMPZFNDQNC-LBPRGKRZSA-N -1 0 359.403 2.433 50 0 FEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000013005291 539582625 /nfs/dbraw/zinc/58/26/25/539582625.db2.gz MCSWJZPUYLPVAK-LSDHHAIUSA-N -1 0 353.382 2.281 50 0 FEAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)o2)n[nH]1 ZINC000015827716 539624225 /nfs/dbraw/zinc/62/42/25/539624225.db2.gz QJBAAFGCSQJMPQ-UHFFFAOYSA-N -1 0 351.771 2.484 50 0 FEAARM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccccc1)NC(=O)N[C@H]2c1ccccc1 ZINC000017028594 539638095 /nfs/dbraw/zinc/63/80/95/539638095.db2.gz QJZZISOREAJUOC-OKILXGFUSA-N -1 0 364.361 2.179 50 0 FEAARM COc1ccc(C(=O)N(C)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000017793270 539643021 /nfs/dbraw/zinc/64/30/21/539643021.db2.gz BTPAMDSAMCUKCG-UHFFFAOYSA-N -1 0 364.423 2.438 50 0 FEAARM COc1ccc(NC(=O)[C@@H](Cc2cccs2)c2nnn[n-]2)cc1OC ZINC000019927680 539670762 /nfs/dbraw/zinc/67/07/62/539670762.db2.gz SCCSMFBVCMNTPF-LBPRGKRZSA-N -1 0 359.411 2.243 50 0 FEAARM O=C(NCc1nnn[n-]1)c1ccc([C@H]2CCCN2CCC(F)(F)F)s1 ZINC000023232014 539709410 /nfs/dbraw/zinc/70/94/10/539709410.db2.gz SVVVCNHNOOPRBX-SECBINFHSA-N -1 0 374.392 2.281 50 0 FEAARM Cc1nnc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)s1 ZINC000031807018 539919215 /nfs/dbraw/zinc/91/92/15/539919215.db2.gz JUMJSTBLSBTHFJ-UHFFFAOYSA-N -1 0 369.453 2.080 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000032097026 539928828 /nfs/dbraw/zinc/92/88/28/539928828.db2.gz CLGHNDMXKFMUFJ-UHFFFAOYSA-N -1 0 371.418 2.105 50 0 FEAARM CC(C)CCNC(=O)Cn1c([O-])nc2c(-c3ccccc3F)c[nH]c2c1=O ZINC000033038091 539964777 /nfs/dbraw/zinc/96/47/77/539964777.db2.gz HXWXUEXPBZHPCV-UHFFFAOYSA-N -1 0 372.400 2.399 50 0 FEAARM COc1ccc(CCCC(=O)N2CCc3c(c(C(=O)[O-])nn3C)C2)cc1 ZINC000067947714 541531788 /nfs/dbraw/zinc/53/17/88/541531788.db2.gz YUOCVBBHPIYYOJ-UHFFFAOYSA-N -1 0 357.410 2.035 50 0 FEAARM O=C(COc1ccc(N2CCCC2=O)cc1)NC1(C(=O)[O-])CCCCC1 ZINC000071802806 541772989 /nfs/dbraw/zinc/77/29/89/541772989.db2.gz BUHHYWDXFKEXCT-UHFFFAOYSA-N -1 0 360.410 2.096 50 0 FEAARM Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccnc1 ZINC000072191496 541795996 /nfs/dbraw/zinc/79/59/96/541795996.db2.gz WZVMRDDWVYHAJA-UHFFFAOYSA-N -1 0 369.406 2.306 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000072409916 541806260 /nfs/dbraw/zinc/80/62/60/541806260.db2.gz VLTPBDMBKBVBJR-UHFFFAOYSA-N -1 0 356.407 2.209 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCc3ccccc31)C2 ZINC000072475400 541819666 /nfs/dbraw/zinc/81/96/66/541819666.db2.gz AROLIKIVIOWPPV-GOSISDBHSA-N -1 0 353.422 2.363 50 0 FEAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCc1nc2ccccc2s1 ZINC000072478923 541820553 /nfs/dbraw/zinc/82/05/53/541820553.db2.gz RRNJRMSWYLKGPC-MRXNPFEDSA-N -1 0 356.407 2.163 50 0 FEAARM CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000002169806 203880951 /nfs/dbraw/zinc/88/09/51/203880951.db2.gz YCYXUKRYYSXSLJ-JKSUJKDBSA-N -1 0 362.426 2.403 50 0 FEAARM COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc2c1C ZINC000002104213 204025913 /nfs/dbraw/zinc/02/59/13/204025913.db2.gz DLMATRNKFRTDDR-OAHLLOKOSA-N -1 0 373.405 2.427 50 0 FEAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002157506 204027840 /nfs/dbraw/zinc/02/78/40/204027840.db2.gz XFWVQZMKJFWRMX-LBPRGKRZSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000002804937 204059687 /nfs/dbraw/zinc/05/96/87/204059687.db2.gz KAYZDKXKIIDXTQ-UHFFFAOYSA-N -1 0 363.418 2.222 50 0 FEAARM Cc1nnc(SCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)s1 ZINC000003342509 204093252 /nfs/dbraw/zinc/09/32/52/204093252.db2.gz GQHFCKXDLYOJOE-UHFFFAOYSA-N -1 0 354.438 2.443 50 0 FEAARM CCOC(=O)c1cc(NC(=O)CCCC(=O)[O-])cc(C(=O)OCC)c1 ZINC000004651257 204152248 /nfs/dbraw/zinc/15/22/48/204152248.db2.gz MHDLJQJODJNWIS-UHFFFAOYSA-N -1 0 351.355 2.233 50 0 FEAARM CCOCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004384630 204137457 /nfs/dbraw/zinc/13/74/57/204137457.db2.gz ATPNYPIRPWSYCV-UHFFFAOYSA-N -1 0 355.441 2.309 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)Nc2ccccc2)cc1 ZINC000004497832 204142309 /nfs/dbraw/zinc/14/23/09/204142309.db2.gz FZAYPFZXPJUKPI-UHFFFAOYSA-N -1 0 357.395 2.166 50 0 FEAARM COC(=O)[C@]([N-]c1nccs1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000005742634 204223758 /nfs/dbraw/zinc/22/37/58/204223758.db2.gz CQGBMWAGVAVICU-CQSZACIVSA-N -1 0 373.356 2.346 50 0 FEAARM CC1=C(C)C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H](C(=O)[O-])C1 ZINC000006730882 204263646 /nfs/dbraw/zinc/26/36/46/204263646.db2.gz OXMZCYQYZJXSTQ-GJZGRUSLSA-N -1 0 360.410 2.011 50 0 FEAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccccc2NC(C)=O)C1=O ZINC000009009954 204351702 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Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccco3)o2)[P@@](=O)([O-])O)cc1 ZINC000041154242 205089562 /nfs/dbraw/zinc/08/95/62/205089562.db2.gz LJXSGXKJQJYMLX-HNNXBMFYSA-N -1 0 363.266 2.244 50 0 FEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000299354024 205090177 /nfs/dbraw/zinc/09/01/77/205090177.db2.gz LAWVTCYNKKEAJJ-SNPRPXQTSA-N -1 0 365.451 2.256 50 0 FEAARM CC(=O)N[C@H](CC(=O)NC1CCC(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000299743401 205124518 /nfs/dbraw/zinc/12/45/18/205124518.db2.gz KWUDRSASYISMKP-KOHJWAIASA-N -1 0 368.380 2.292 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000299742817 205125249 /nfs/dbraw/zinc/12/52/49/205125249.db2.gz KQDVNQSTPPSVJS-OAHLLOKOSA-N -1 0 359.403 2.227 50 0 FEAARM CC1CCC(N2C[C@@H](C(=O)NC3CCC(C(=O)[O-])CC3)CC2=O)CC1 ZINC000299745000 205127325 /nfs/dbraw/zinc/12/73/25/205127325.db2.gz QOSWWMVWDWHQEE-PZQKLGETSA-N -1 0 350.459 2.173 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000299748110 205128026 /nfs/dbraw/zinc/12/80/26/205128026.db2.gz GAZSCCVJGGKKOV-LBPRGKRZSA-N -1 0 369.801 2.207 50 0 FEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000299752226 205133425 /nfs/dbraw/zinc/13/34/25/205133425.db2.gz SXJWBMDZUNSYBK-UHFFFAOYSA-N -1 0 353.378 2.187 50 0 FEAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)o2)cc(OC)c1 ZINC000065246177 205328377 /nfs/dbraw/zinc/32/83/77/205328377.db2.gz XOWTXKHSUZKSIN-UHFFFAOYSA-N -1 0 365.367 2.456 50 0 FEAARM CCN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2C1=O ZINC000065254731 205330051 /nfs/dbraw/zinc/33/00/51/205330051.db2.gz DQEIQPGABYVDNV-UHFFFAOYSA-N -1 0 351.403 2.212 50 0 FEAARM Cc1ccc(C(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c(=O)n1C ZINC000072145457 205480151 /nfs/dbraw/zinc/48/01/51/205480151.db2.gz OACUFAPSPHIHTL-UHFFFAOYSA-N -1 0 368.433 2.487 50 0 FEAARM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000072420359 205537400 /nfs/dbraw/zinc/53/74/00/205537400.db2.gz KKNZWBCFEDEALY-KRWDZBQOSA-N -1 0 370.449 2.032 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC000072423160 205539569 /nfs/dbraw/zinc/53/95/69/205539569.db2.gz KGPIPRBZYZXABJ-OAHLLOKOSA-N -1 0 357.435 2.002 50 0 FEAARM CCS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000095424486 205753452 /nfs/dbraw/zinc/75/34/52/205753452.db2.gz WVRHAHXCLRNFND-UHFFFAOYSA-N -1 0 361.419 2.207 50 0 FEAARM COc1ccc(C(=O)N2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000095392913 205754073 /nfs/dbraw/zinc/75/40/73/205754073.db2.gz ZVWHZGAUMWBLHH-SFHVURJKSA-N -1 0 372.396 2.418 50 0 FEAARM Cc1c(C)c(C)c(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)c(C)c1C ZINC000237587483 206106273 /nfs/dbraw/zinc/10/62/73/206106273.db2.gz HJFPEJUGZLVTTL-UHFFFAOYSA-N -1 0 368.499 2.010 50 0 FEAARM Cc1ccc(CN2C[C@@H](C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2=O)cc1 ZINC000237725339 206106890 /nfs/dbraw/zinc/10/68/90/206106890.db2.gz IZMQHPAXMLVUGF-AEFFLSMTSA-N -1 0 372.465 2.447 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)cc1 ZINC000238124616 206113299 /nfs/dbraw/zinc/11/32/99/206113299.db2.gz GNCVEUKLNOMIJD-MRXNPFEDSA-N -1 0 374.343 2.332 50 0 FEAARM O=C([O-])CN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)C1CC1 ZINC000238094161 206113645 /nfs/dbraw/zinc/11/36/45/206113645.db2.gz IVPQEJMDFXZSTL-UHFFFAOYSA-N -1 0 360.801 2.487 50 0 FEAARM Cc1ccc(-c2noc(CCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)n2)cc1F ZINC000237816092 206109505 /nfs/dbraw/zinc/10/95/05/206109505.db2.gz XORPOEMSIUBMRG-GOSISDBHSA-N -1 0 361.373 2.440 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccs1 ZINC000237969028 206111670 /nfs/dbraw/zinc/11/16/70/206111670.db2.gz HAURLNHTLHQEMY-YPMHNXCESA-N -1 0 350.440 2.171 50 0 FEAARM O=C([O-])CCN(C(=O)c1ccn(-c2ccccc2F)n1)C1CCOCC1 ZINC000238079649 206112474 /nfs/dbraw/zinc/11/24/74/206112474.db2.gz CBSURZCHRXJGCB-UHFFFAOYSA-N -1 0 361.373 2.107 50 0 FEAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002122968 206154233 /nfs/dbraw/zinc/15/42/33/206154233.db2.gz ZWMSMMYCLMIXIK-MRXNPFEDSA-N -1 0 371.389 2.126 50 0 FEAARM Cc1ccnc2nc(C(=O)[N-]c3nnc(Cc4ccccc4)s3)nn21 ZINC000003359219 206160913 /nfs/dbraw/zinc/16/09/13/206160913.db2.gz RFXVYWWQVKLUAC-UHFFFAOYSA-N -1 0 351.395 2.127 50 0 FEAARM CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000006357778 206200947 /nfs/dbraw/zinc/20/09/47/206200947.db2.gz JWMYGLVKXABREZ-BMLIUANNSA-N -1 0 361.394 2.404 50 0 FEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000155807714 206222661 /nfs/dbraw/zinc/22/26/61/206222661.db2.gz NEMJUNTZXNTOTF-QWHCGFSZSA-N -1 0 371.220 2.422 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)Cc1ccccc1 ZINC000001677749 206228401 /nfs/dbraw/zinc/22/84/01/206228401.db2.gz RRRRYRSKOPSJBR-KRWDZBQOSA-N -1 0 358.419 2.283 50 0 FEAARM CN(CCc1ccccn1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000006046393 206240172 /nfs/dbraw/zinc/24/01/72/206240172.db2.gz RXVKHLXTFULGQO-UHFFFAOYSA-N -1 0 354.815 2.296 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)Cc1ccccc1 ZINC000006529645 206241292 /nfs/dbraw/zinc/24/12/92/206241292.db2.gz RRRRYRSKOPSJBR-QGZVFWFLSA-N -1 0 358.419 2.283 50 0 FEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000009338381 206247587 /nfs/dbraw/zinc/24/75/87/206247587.db2.gz HSIASBSDWWPDHM-UHFFFAOYSA-N -1 0 355.393 2.122 50 0 FEAARM O=S1(=O)[N-]C(CSc2ncn(-c3ccccc3)n2)=Nc2ccccc21 ZINC000170612212 206274026 /nfs/dbraw/zinc/27/40/26/206274026.db2.gz SSRRKXKOTNPFGC-UHFFFAOYSA-N -1 0 371.447 2.382 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccccn2)ccc1Br ZINC000013075146 206300027 /nfs/dbraw/zinc/30/00/27/206300027.db2.gz VSBICZZFBZMZTE-UHFFFAOYSA-N -1 0 371.212 2.021 50 0 FEAARM O=C([O-])C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 ZINC000013167329 206301047 /nfs/dbraw/zinc/30/10/47/206301047.db2.gz WUIXJOKNHVSMEG-UHFFFAOYSA-N -1 0 360.179 2.290 50 0 FEAARM CCCCn1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000016996009 206321628 /nfs/dbraw/zinc/32/16/28/206321628.db2.gz KKCJTQHKGHFLEQ-QGZVFWFLSA-N -1 0 368.437 2.101 50 0 FEAARM Cc1ccc(F)cc1CNC(=O)CC[C@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000219443067 206385812 /nfs/dbraw/zinc/38/58/12/206385812.db2.gz BRGPOHCFUJLNDX-GOSISDBHSA-N -1 0 350.390 2.044 50 0 FEAARM Cc1c(Cl)cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cc1Cl ZINC000220142544 206396857 /nfs/dbraw/zinc/39/68/57/206396857.db2.gz ZFZVLRVQZUVNDD-OLZOCXBDSA-N -1 0 362.209 2.290 50 0 FEAARM CCCNC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1 ZINC000077377287 542374206 /nfs/dbraw/zinc/37/42/06/542374206.db2.gz NHKULAGJTOAXEA-UHFFFAOYSA-N -1 0 374.466 2.360 50 0 FEAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000077470006 542385706 /nfs/dbraw/zinc/38/57/06/542385706.db2.gz PGHRAJYOQABMIP-CYBMUJFWSA-N -1 0 355.354 2.122 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cc(F)ccc1C)CC2 ZINC000082116192 542683859 /nfs/dbraw/zinc/68/38/59/542683859.db2.gz XVPSPMRPCXMQLN-INIZCTEOSA-N -1 0 362.401 2.062 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 ZINC000089774513 542770436 /nfs/dbraw/zinc/77/04/36/542770436.db2.gz HXGWYFDLPLAKAT-CYBMUJFWSA-N -1 0 357.328 2.439 50 0 FEAARM O=C([O-])c1cccc(C[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C2)c1 ZINC000091289362 542803770 /nfs/dbraw/zinc/80/37/70/542803770.db2.gz LAKBCWZGRBWTPZ-MRXNPFEDSA-N -1 0 366.483 2.370 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)CN2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000091895634 542831452 /nfs/dbraw/zinc/83/14/52/542831452.db2.gz BKTJSTPNBLHCDK-RBUKOAKNSA-N -1 0 350.418 2.329 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1c1ccccc1 ZINC000092021409 542838834 /nfs/dbraw/zinc/83/88/34/542838834.db2.gz JXIQKQHUPUGXND-DLBZAZTESA-N -1 0 366.417 2.194 50 0 FEAARM Cc1noc(-c2ccc(N3C[C@@H](c4ccncc4)[C@H](C(=O)[O-])C3)nc2)n1 ZINC000092078311 542843785 /nfs/dbraw/zinc/84/37/85/542843785.db2.gz LFWQLYOPOKOCNU-LSDHHAIUSA-N -1 0 351.366 2.140 50 0 FEAARM Cc1cc(C)cc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1 ZINC000095371722 542962514 /nfs/dbraw/zinc/96/25/14/542962514.db2.gz QOMSDSQHWWQKQH-KRWDZBQOSA-N -1 0 372.465 2.160 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(c1cc(N3CCCCC3)ncn1)C2 ZINC000072459098 136148686 /nfs/dbraw/zinc/14/86/86/136148686.db2.gz PKBKNIMBEBYHJU-UHFFFAOYSA-N -1 0 370.457 2.091 50 0 FEAARM O=C([O-])COc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 ZINC000095363283 542960316 /nfs/dbraw/zinc/96/03/16/542960316.db2.gz OLIOWBLNZHPYAL-UHFFFAOYSA-N -1 0 362.407 2.360 50 0 FEAARM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-n2cccn2)c1 ZINC000095382205 542965176 /nfs/dbraw/zinc/96/51/76/542965176.db2.gz UFEOIUDFBMPLLM-KRWDZBQOSA-N -1 0 353.353 2.437 50 0 FEAARM O=C1NCc2cccc([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)c21 ZINC000095452405 542970399 /nfs/dbraw/zinc/97/03/99/542970399.db2.gz WFZRQAIQVCXADE-UHFFFAOYSA-N -1 0 358.206 2.433 50 0 FEAARM CC(C)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n(C)n1 ZINC000095519815 542978662 /nfs/dbraw/zinc/97/86/62/542978662.db2.gz NAFUSHXMWBSOKM-INIZCTEOSA-N -1 0 354.410 2.451 50 0 FEAARM CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc(OC)cc2C)nc1C ZINC000095455177 542970978 /nfs/dbraw/zinc/97/09/78/542970978.db2.gz IIHSTMWEXYOVMX-UHFFFAOYSA-N -1 0 354.384 2.278 50 0 FEAARM COCc1csc([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1 ZINC000095452961 542971018 /nfs/dbraw/zinc/97/10/18/542971018.db2.gz DFPHIASFDTUGGW-UHFFFAOYSA-N -1 0 373.847 2.095 50 0 FEAARM CCOC(=O)c1csc(=NC(=O)c2cc(-c3ccccc3OC)[nH]n2)[n-]1 ZINC000095474222 542972738 /nfs/dbraw/zinc/97/27/38/542972738.db2.gz UGCTUCRSLKEDPA-UHFFFAOYSA-N -1 0 372.406 2.971 50 0 FEAARM O=C([O-])[C@H](Cc1ccco1)NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000095498532 542974448 /nfs/dbraw/zinc/97/44/48/542974448.db2.gz WIGRKELVEXMVEZ-AWEZNQCLSA-N -1 0 355.350 2.074 50 0 FEAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)c3ccc(C)nc3)C[C@H]21 ZINC000095502352 542975127 /nfs/dbraw/zinc/97/51/27/542975127.db2.gz KNVRXVHOGGACDY-FOIQADDNSA-N -1 0 368.389 2.102 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1c1ncc[nH]1 ZINC000095504082 542975155 /nfs/dbraw/zinc/97/51/55/542975155.db2.gz RLKHURRWZRDJND-VXGBXAGGSA-N -1 0 354.341 2.037 50 0 FEAARM Cn1cc(SCC(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])c2ccccc21 ZINC000096141985 542993817 /nfs/dbraw/zinc/99/38/17/542993817.db2.gz SAJLIZAVCUCRDF-QGZVFWFLSA-N -1 0 370.434 2.204 50 0 FEAARM Cc1cc(C)n(-c2ccccc2CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])n1 ZINC000097468399 543012006 /nfs/dbraw/zinc/01/20/06/543012006.db2.gz QVSATGJIKNPKNY-SFHVURJKSA-N -1 0 351.410 2.224 50 0 FEAARM COc1ccc(CNC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1OC ZINC000100621143 543025584 /nfs/dbraw/zinc/02/55/84/543025584.db2.gz SCXJDODDSWPGEL-UHFFFAOYSA-N -1 0 368.389 2.191 50 0 FEAARM COc1cc(-c2nn3c([n-]2)nc(C)c(Cl)c3=O)cc(OC)c1OC ZINC000101312722 543026672 /nfs/dbraw/zinc/02/66/72/543026672.db2.gz HCJGNDJMYXBPGK-UHFFFAOYSA-N -1 0 350.762 2.072 50 0 FEAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@@H](Oc2cccnc2)C1 ZINC000119616452 543670018 /nfs/dbraw/zinc/67/00/18/543670018.db2.gz CSGCEAKSVCEZSM-MRXNPFEDSA-N -1 0 368.368 2.406 50 0 FEAARM Cc1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)cc(Cl)n1 ZINC000125051280 543857744 /nfs/dbraw/zinc/85/77/44/543857744.db2.gz VGZKHAPOWFPLLH-UHFFFAOYSA-N -1 0 354.815 2.182 50 0 FEAARM CN(C[C@@H]1COCCO1)C(=O)c1ccc(-c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000426415640 263583336 /nfs/dbraw/zinc/58/33/36/263583336.db2.gz QMEQKQPQOMYTIG-MRXNPFEDSA-N -1 0 371.389 2.245 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 ZINC000013170928 324374359 /nfs/dbraw/zinc/37/43/59/324374359.db2.gz YTWSGQOVMANINM-VIFPVBQESA-N -1 0 360.179 2.290 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000261910515 328828762 /nfs/dbraw/zinc/82/87/62/328828762.db2.gz WLAUWDVMTUEVGA-SNVBAGLBSA-N -1 0 364.199 2.182 50 0 FEAARM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000262687975 328881148 /nfs/dbraw/zinc/88/11/48/328881148.db2.gz DAKJOTJTOFXWID-BRWVUGGUSA-N -1 0 358.438 2.357 50 0 FEAARM CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000263574754 328947605 /nfs/dbraw/zinc/94/76/05/328947605.db2.gz NXJIGLGGDNWTJA-QWRGUYRKSA-N -1 0 357.403 2.200 50 0 FEAARM CC(=O)N1CCc2cc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)ccc21 ZINC000268940180 519630381 /nfs/dbraw/zinc/63/03/81/519630381.db2.gz RAPUWZUNVNDCKO-UHFFFAOYSA-N -1 0 356.378 2.467 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000299753102 519695415 /nfs/dbraw/zinc/69/54/15/519695415.db2.gz WVRAIJDZBCNGKM-TVFCKZIOSA-N -1 0 358.438 2.498 50 0 FEAARM Cc1cc(-n2cncn2)ccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262456413 526079434 /nfs/dbraw/zinc/07/94/34/526079434.db2.gz VFPGLHKTRJWAAF-XYPHTWIQSA-N -1 0 354.410 2.434 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1c1ccncc1 ZINC000091706417 526284177 /nfs/dbraw/zinc/28/41/77/526284177.db2.gz OTJIQEXLRQLZBK-JKSUJKDBSA-N -1 0 364.405 2.148 50 0 FEAARM Cc1nc(CC(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)cs1 ZINC000091706540 526788931 /nfs/dbraw/zinc/78/89/31/526788931.db2.gz QOUKPJVYDCBLHC-UONOGXRCSA-N -1 0 374.418 2.050 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1 ZINC000178255540 546764519 /nfs/dbraw/zinc/76/45/19/546764519.db2.gz ZHAFOAMBTFNQJB-GOSISDBHSA-N -1 0 372.396 2.214 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccnc3ccncc32)c(C)c1C ZINC000225388915 548732488 /nfs/dbraw/zinc/73/24/88/548732488.db2.gz OSTLNLDLVRGLSO-UHFFFAOYSA-N -1 0 371.418 2.374 50 0 FEAARM CCOc1cc(NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1OC ZINC000225487878 548735141 /nfs/dbraw/zinc/73/51/41/548735141.db2.gz ITDDMHWBYBLMSE-IAQYHMDHSA-N -1 0 352.387 2.095 50 0 FEAARM CC(=O)Nc1ncc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)s1 ZINC000225834354 548744207 /nfs/dbraw/zinc/74/42/07/548744207.db2.gz WRSKBQPDBOKNAA-UHFFFAOYSA-N -1 0 369.443 2.251 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc2[n-]c1=S ZINC000230227068 548758980 /nfs/dbraw/zinc/75/89/80/548758980.db2.gz VYTYRYBNDXTYLG-BJJXKVORSA-N -1 0 373.478 2.393 50 0 FEAARM [O-]c1c([C@@H](c2cc(F)c(F)c(F)c2)N2CCOCC2)sc2ncnn12 ZINC000252497625 549669897 /nfs/dbraw/zinc/66/98/97/549669897.db2.gz QKZZAICBYGOCIC-GFCCVEGCSA-N -1 0 370.356 2.335 50 0 FEAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)c1C ZINC000252496083 549670312 /nfs/dbraw/zinc/67/03/12/549670312.db2.gz PEWIDHHEGOOEHA-NSHDSACASA-N -1 0 364.427 2.040 50 0 FEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000252549434 549673799 /nfs/dbraw/zinc/67/37/99/549673799.db2.gz REUQZQYQUMYSGN-GOSISDBHSA-N -1 0 364.401 2.457 50 0 FEAARM C[C@]12CC[C@H]3[C@@]45CO[C@@]3(CC[C@@]4(O)C[C@@H](O)CC5)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253596018 549697468 /nfs/dbraw/zinc/69/74/68/549697468.db2.gz MAUIYISYPHUCFP-ZVMOASGWSA-N -1 0 350.455 2.339 50 0 FEAARM Cc1sc2ncn(N=Cc3ccccc3OCC(=O)[O-])c(=O)c2c1C ZINC000254679946 549701370 /nfs/dbraw/zinc/70/13/70/549701370.db2.gz SORKIAGMWBTPCJ-UHFFFAOYSA-N -1 0 357.391 2.420 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCO1 ZINC000263064992 549875402 /nfs/dbraw/zinc/87/54/02/549875402.db2.gz YTFLQRRCMIWVDB-MDZLAQPJSA-N -1 0 359.300 2.001 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1cnc2ccccc2c1=O ZINC000265552116 550011250 /nfs/dbraw/zinc/01/12/50/550011250.db2.gz HEELOQPGIZPRDQ-XYPHTWIQSA-N -1 0 369.421 2.031 50 0 FEAARM COCCn1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cn1 ZINC000269662527 550214783 /nfs/dbraw/zinc/21/47/83/550214783.db2.gz WTOMVQXZUJWKMO-UHFFFAOYSA-N -1 0 367.475 2.112 50 0 FEAARM Cc1cc(C)cc(CCC(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c1 ZINC000299755746 553611109 /nfs/dbraw/zinc/61/11/09/553611109.db2.gz DALNNBLINKVKCJ-JKSUJKDBSA-N -1 0 356.426 2.071 50 0 FEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cnn(C[C@@H]2CCCCO2)c1 ZINC000390826976 558611932 /nfs/dbraw/zinc/61/19/32/558611932.db2.gz DEXODGZSSPMTKN-AWEZNQCLSA-N -1 0 369.418 2.401 50 0 FEAARM O=C([O-])CCN(C(=O)COc1ccc(F)c(Cl)c1)C1CCOCC1 ZINC000408513249 558685502 /nfs/dbraw/zinc/68/55/02/558685502.db2.gz FXEPEQUVNSGODH-UHFFFAOYSA-N -1 0 359.781 2.340 50 0 FEAARM CCn1nc(C)c(-c2cccc(C(=O)NCc3n[n-]c(=N)s3)c2)c1C ZINC000426500068 559735829 /nfs/dbraw/zinc/73/58/29/559735829.db2.gz HIDNRRUAZYZWIU-UHFFFAOYSA-N -1 0 356.455 2.551 50 0 FEAARM Cc1cccnc1CN1CCN(C(=O)N[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000426509971 559736310 /nfs/dbraw/zinc/73/63/10/559736310.db2.gz FCYRCNUQEKWRKY-INIZCTEOSA-N -1 0 362.474 2.107 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)CN2CCCCCCC2=O)[C@H]2CCCC[C@@H]12 ZINC000659194651 568039956 /nfs/dbraw/zinc/03/99/56/568039956.db2.gz MRYDNYLEXGAEMG-XHSDSOJGSA-N -1 0 350.459 2.271 50 0 FEAARM O=C([O-])CCN(C(=O)[C@@H]1CSc2ccccc2O1)C1CCOCC1 ZINC000583650603 570812059 /nfs/dbraw/zinc/81/20/59/570812059.db2.gz POBWWMPNNCXJRI-AWEZNQCLSA-N -1 0 351.424 2.022 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)NC[C@@H](O)c3ccccc3)cc2[n-]c1=S ZINC000102375762 570831727 /nfs/dbraw/zinc/83/17/27/570831727.db2.gz SIFZQMZQCSSRQX-MRXNPFEDSA-N -1 0 369.446 2.169 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1OC ZINC000102818925 570839817 /nfs/dbraw/zinc/83/98/17/570839817.db2.gz RLVLZMDTZZSDQC-CVEARBPZSA-N -1 0 352.350 2.202 50 0 FEAARM CO[C@](C)(C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccccc1 ZINC000119286110 571097892 /nfs/dbraw/zinc/09/78/92/571097892.db2.gz SSNUNTFGCYFVQW-HNNXBMFYSA-N -1 0 354.815 2.102 50 0 FEAARM CSCC[C@H](NC(=O)N1CCOc2ccc(Cl)cc2C1)C(=O)[O-] ZINC000670457013 571354920 /nfs/dbraw/zinc/35/49/20/571354920.db2.gz JBDBVFZVFQAPMS-LBPRGKRZSA-N -1 0 358.847 2.450 50 0 FEAARM Cc1nn(C)c2nc(C)c(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc12 ZINC000663147123 601484258 /nfs/dbraw/zinc/48/42/58/601484258.db2.gz JNTGSMMVQWQEGK-KRWDZBQOSA-N -1 0 364.405 2.409 50 0 FEAARM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000578077595 602179813 /nfs/dbraw/zinc/17/98/13/602179813.db2.gz PCFCFNXDURPBEA-NSHDSACASA-N -1 0 353.444 2.462 50 0 FEAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000649244128 677328136 /nfs/dbraw/zinc/32/81/36/677328136.db2.gz MTMRXHLWYZSJMS-CYBMUJFWSA-N -1 0 359.813 2.348 50 0 FEAARM COc1ccc([C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C(=O)[O-])cc1F ZINC000565364360 939348254 /nfs/dbraw/zinc/34/82/54/939348254.db2.gz QDXHAOZJULPGJD-HWPZZCPQSA-N -1 0 361.373 2.169 50 0 FEAARM CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)[O-] ZINC000001158270 539338843 /nfs/dbraw/zinc/33/88/43/539338843.db2.gz QUVPFPIKQQRYPJ-GHXNOFRVSA-N -1 0 353.421 2.380 50 0 FEAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O)N1CCCCC1 ZINC000003630205 539372379 /nfs/dbraw/zinc/37/23/79/539372379.db2.gz TYJNZZUUMGMQGH-AWEZNQCLSA-N -1 0 373.478 2.490 50 0 FEAARM CC/C(NN1CCCCC1)=C1/C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009356991 539501725 /nfs/dbraw/zinc/50/17/25/539501725.db2.gz KZKGVUOQCLSYAR-JQIJEIRASA-N -1 0 356.426 2.232 50 0 FEAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000011851921 539537435 /nfs/dbraw/zinc/53/74/35/539537435.db2.gz FSGOCMBWMPADLU-UHFFFAOYSA-N -1 0 357.391 2.143 50 0 FEAARM Cn1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)n1 ZINC000012525997 539562304 /nfs/dbraw/zinc/56/23/04/539562304.db2.gz KLBIZJJWWDZYCD-UHFFFAOYSA-N -1 0 352.160 2.262 50 0 FEAARM O=C([O-])/C=C/C(=O)N1N=C(c2cccs2)C[C@@]12C(=O)Nc1ccccc12 ZINC000013629619 539589594 /nfs/dbraw/zinc/58/95/94/539589594.db2.gz WQJYUFZTPJGUNJ-LKGOPFMKSA-N -1 0 367.386 2.173 50 0 FEAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCC ZINC000015012684 539609704 /nfs/dbraw/zinc/60/97/04/539609704.db2.gz ZKHWRPKYNWXDPY-POHAHGRESA-N -1 0 355.188 2.427 50 0 FEAARM CCC(=O)C[C@H](c1ccccc1)[C@@]1(Br)C(=O)[N-]C(=O)NC1=O ZINC000018084296 539646155 /nfs/dbraw/zinc/64/61/55/539646155.db2.gz ICDHOXGQORLMCX-LLVKDONJSA-N -1 0 367.199 2.479 50 0 FEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1 ZINC000020614439 539675625 /nfs/dbraw/zinc/67/56/25/539675625.db2.gz CPNCTPUBDJUSNY-UHFFFAOYSA-N -1 0 362.817 2.043 50 0 FEAARM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000026134473 539778331 /nfs/dbraw/zinc/77/83/31/539778331.db2.gz KJZMYBLKFUXMNL-ZDUSSCGKSA-N -1 0 358.423 2.271 50 0 FEAARM O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccc(F)c(F)c1F ZINC000026539649 539788997 /nfs/dbraw/zinc/78/89/97/539788997.db2.gz HMWIIHVXQFZWNW-UHFFFAOYSA-N -1 0 354.313 2.485 50 0 FEAARM CCCCOc1cccc(-c2nnc(CCC(=O)NCCOC)c(=O)[n-]2)c1 ZINC000034764880 539977630 /nfs/dbraw/zinc/97/76/30/539977630.db2.gz UQYQNVJKLYLVJD-UHFFFAOYSA-N -1 0 374.441 2.118 50 0 FEAARM COc1ccc(-c2nc(NC(=O)Cc3ccccc3C(=O)[O-])n[nH]2)cc1 ZINC000071287364 541766688 /nfs/dbraw/zinc/76/66/88/541766688.db2.gz FCKIFYPEBVNZNL-UHFFFAOYSA-N -1 0 352.350 2.360 50 0 FEAARM CCOC(=O)C[C@@H](c1cnn(C)c1C)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072405827 541805633 /nfs/dbraw/zinc/80/56/33/541805633.db2.gz FVALNBYWFJAJOV-ZDUSSCGKSA-N -1 0 355.394 2.361 50 0 FEAARM CC(C)n1ccnc1CN1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072448078 541815775 /nfs/dbraw/zinc/81/57/75/541815775.db2.gz SAEMDLDTPXPYMT-INIZCTEOSA-N -1 0 374.485 2.142 50 0 FEAARM COc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1OC ZINC000328595619 203831217 /nfs/dbraw/zinc/83/12/17/203831217.db2.gz ZHJCGWUNNQJVHI-GQCTYLIASA-N -1 0 363.410 2.199 50 0 FEAARM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002384806 204036990 /nfs/dbraw/zinc/03/69/90/204036990.db2.gz LEJTXQOVOPDGHS-YOEHRIQHSA-N -1 0 370.405 2.113 50 0 FEAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002095451 204025899 /nfs/dbraw/zinc/02/58/99/204025899.db2.gz VCCHESGIJUNSBM-GTNSWQLSSA-N -1 0 361.394 2.348 50 0 biogenic FEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002092818 204026035 /nfs/dbraw/zinc/02/60/35/204026035.db2.gz VDOKWIVLGJZAIF-KRWDZBQOSA-N -1 0 361.394 2.268 50 0 biogenic FEAARM CCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002094784 204026636 /nfs/dbraw/zinc/02/66/36/204026636.db2.gz IEVAAFNZGJRNGJ-INIZCTEOSA-N -1 0 373.405 2.420 50 0 biogenic FEAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccs1 ZINC000002968789 204070973 /nfs/dbraw/zinc/07/09/73/204070973.db2.gz OKOQMTCJRSXFNG-CYBMUJFWSA-N -1 0 370.459 2.122 50 0 FEAARM Cc1cc(C)nc(NC(=S)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)n1 ZINC000003138307 204079654 /nfs/dbraw/zinc/07/96/54/204079654.db2.gz LHOUSBQHCHCXRE-BQYQJAHWSA-N -1 0 356.407 2.460 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccccc2F)n1 ZINC000002791753 204058021 /nfs/dbraw/zinc/05/80/21/204058021.db2.gz HWFVIGCUVJMZPY-UHFFFAOYSA-N -1 0 350.375 2.476 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cn1 ZINC000002804238 204059332 /nfs/dbraw/zinc/05/93/32/204059332.db2.gz ZNXVPUDHHDZLST-UHFFFAOYSA-N -1 0 369.809 2.258 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000002853328 204062486 /nfs/dbraw/zinc/06/24/86/204062486.db2.gz PRTDNNMYYRNIJB-UHFFFAOYSA-N -1 0 373.406 2.153 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1 ZINC000003907500 204115403 /nfs/dbraw/zinc/11/54/03/204115403.db2.gz CAVMFIKXGUNNPE-UHFFFAOYSA-N -1 0 362.407 2.389 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000004148031 204124956 /nfs/dbraw/zinc/12/49/56/204124956.db2.gz CXVNCQUZDOKIQM-UHFFFAOYSA-N -1 0 367.379 2.211 50 0 FEAARM CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000004700843 204156332 /nfs/dbraw/zinc/15/63/32/204156332.db2.gz XKDXTPFJSFKSPY-XNTDXEJSSA-N -1 0 352.346 2.486 50 0 FEAARM CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C1=O ZINC000004743064 204160813 /nfs/dbraw/zinc/16/08/13/204160813.db2.gz XPRPQLOYGOBESH-IZZDOVSWSA-N -1 0 368.773 2.115 50 0 FEAARM COc1ccc(-c2nn(CCC(=O)[O-])cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000004269639 204130260 /nfs/dbraw/zinc/13/02/60/204130260.db2.gz NUSAWMHEBBSACJ-JYRVWZFOSA-N -1 0 372.406 2.172 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000006550190 204253336 /nfs/dbraw/zinc/25/33/36/204253336.db2.gz YKJHSKKWTXOQJZ-UHFFFAOYSA-N -1 0 361.354 2.303 50 0 FEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000006730880 204263880 /nfs/dbraw/zinc/26/38/80/204263880.db2.gz OXMZCYQYZJXSTQ-CABCVRRESA-N -1 0 360.410 2.011 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000006770402 204268075 /nfs/dbraw/zinc/26/80/75/204268075.db2.gz KTXHZPJHFOBMLI-SJORKVTESA-N -1 0 368.368 2.370 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)cn1C ZINC000006777890 204269137 /nfs/dbraw/zinc/26/91/37/204269137.db2.gz RBIBNYGROMVUID-UHFFFAOYSA-N -1 0 368.411 2.020 50 0 FEAARM COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000006831765 204275359 /nfs/dbraw/zinc/27/53/59/204275359.db2.gz WMNDFZNLCRKQCM-CQSZACIVSA-N -1 0 370.361 2.146 50 0 FEAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1N(C)C ZINC000006887565 204279258 /nfs/dbraw/zinc/27/92/58/204279258.db2.gz SQXIQCFLJJKBCQ-UHFFFAOYSA-N -1 0 374.422 2.205 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007709026 204304264 /nfs/dbraw/zinc/30/42/64/204304264.db2.gz ZGHGFLPLYIRZSV-UHFFFAOYSA-N -1 0 366.420 2.220 50 0 FEAARM Cc1ccc(C)c(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4ccccc43)c2=O)c1 ZINC000009045169 204353102 /nfs/dbraw/zinc/35/31/02/204353102.db2.gz OWQZPBVMLDNBTH-INIZCTEOSA-N -1 0 364.357 2.108 50 0 FEAARM O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009547881 204373037 /nfs/dbraw/zinc/37/30/37/204373037.db2.gz DZSCLCSLWPYHEE-BBRMVZONSA-N -1 0 352.346 2.155 50 0 FEAARM Cn1cc(C(=O)[N-]n2cnc3scc(-c4ccccc4)c3c2=O)cn1 ZINC000014165438 204571807 /nfs/dbraw/zinc/57/18/07/204571807.db2.gz HESBIVWHRAUUMA-UHFFFAOYSA-N -1 0 351.391 2.242 50 0 FEAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)[O-])cc1 ZINC000038193721 204835985 /nfs/dbraw/zinc/83/59/85/204835985.db2.gz OPBUNDRSCWISCG-SFQUDFHCSA-N -1 0 368.389 2.057 50 0 FEAARM COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)o1 ZINC000036612345 205017344 /nfs/dbraw/zinc/01/73/44/205017344.db2.gz QCTNMYCHYJTWCU-HIFRSBDPSA-N -1 0 363.391 2.433 50 0 FEAARM CN1CCN([C@H](c2sc3ncnn3c2[O-])c2ccccc2Cl)CC1 ZINC000041636523 205090900 /nfs/dbraw/zinc/09/09/00/205090900.db2.gz XUIYCYRMRUBXNY-ZDUSSCGKSA-N -1 0 363.874 2.487 50 0 FEAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000084507115 205123163 /nfs/dbraw/zinc/12/31/63/205123163.db2.gz LSPBMWNYNXPCNK-VIFPVBQESA-N -1 0 353.318 2.071 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000299741667 205123862 /nfs/dbraw/zinc/12/38/62/205123862.db2.gz ACMVJATUWJHPDQ-RHSMWYFYSA-N -1 0 357.410 2.160 50 0 FEAARM CCOc1cc(C(=O)N2CCC[C@@H](OCC)C2)ccc1OCC(=O)[O-] ZINC000299751680 205132209 /nfs/dbraw/zinc/13/22/09/205132209.db2.gz RHIFLQOUCCHKFK-CQSZACIVSA-N -1 0 351.399 2.190 50 0 FEAARM Cc1oc(-c2ccccc2)nc1CC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795804 205187500 /nfs/dbraw/zinc/18/75/00/205187500.db2.gz ZFMBSCXZKVXFDT-UHFFFAOYSA-N -1 0 363.439 2.039 50 0 FEAARM Cc1nn(C)c(C)c1CN(C(=O)c1cccc(NCC(=O)[O-])c1)C1CC1 ZINC000055042311 205205132 /nfs/dbraw/zinc/20/51/32/205205132.db2.gz PWBAZXAOICIHBF-UHFFFAOYSA-N -1 0 356.426 2.338 50 0 FEAARM CCn1nc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000057280228 205236830 /nfs/dbraw/zinc/23/68/30/205236830.db2.gz WAQAACWFESGDHK-UHFFFAOYSA-N -1 0 362.455 2.266 50 0 FEAARM CCc1ccc(NC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2nnn[n-]2)cc1 ZINC000057523563 205242814 /nfs/dbraw/zinc/24/28/14/205242814.db2.gz QNWKYHNLJJLOBT-OAHLLOKOSA-N -1 0 367.409 2.441 50 0 FEAARM CCc1ccc(NC(=O)[C@@H](Cc2ccc(O)c(OC)c2)c2nnn[n-]2)cc1 ZINC000057523559 205243028 /nfs/dbraw/zinc/24/30/28/205243028.db2.gz QNWKYHNLJJLOBT-HNNXBMFYSA-N -1 0 367.409 2.441 50 0 FEAARM O=C([O-])c1cn(CCSc2nc[nH]n2)cc(Oc2ccccc2)c1=O ZINC000065405086 205346007 /nfs/dbraw/zinc/34/60/07/205346007.db2.gz FHBJFAQRMFPHFJ-UHFFFAOYSA-N -1 0 358.379 2.249 50 0 FEAARM O=C([O-])c1cc(-c2ccncc2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071419129 205429272 /nfs/dbraw/zinc/42/92/72/205429272.db2.gz UIZXOIGUMFTCBC-UHFFFAOYSA-N -1 0 364.448 2.184 50 0 FEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000072463903 205557497 /nfs/dbraw/zinc/55/74/97/205557497.db2.gz OCEWRSCQCNQVJF-UHFFFAOYSA-N -1 0 363.458 2.010 50 0 FEAARM CCCn1ncc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1C ZINC000095388690 205749172 /nfs/dbraw/zinc/74/91/72/205749172.db2.gz XLZNYVZJBSMZLJ-OXQOHEQNSA-N -1 0 369.421 2.305 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)C2CCCC2)CC1 ZINC000095497001 205767698 /nfs/dbraw/zinc/76/76/98/205767698.db2.gz GIRHLMCJIZQKQL-SFHVURJKSA-N -1 0 372.465 2.227 50 0 FEAARM CCCCn1nc(C)c(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1Cl ZINC000236733202 205929532 /nfs/dbraw/zinc/92/95/32/205929532.db2.gz RETADUWVWLPROS-GFUIURDCSA-N -1 0 369.849 2.360 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCCc2ncc(-c3ccccc3)o2)CCO1 ZINC000238051603 206114005 /nfs/dbraw/zinc/11/40/05/206114005.db2.gz WLKUNILZMVANGB-HNNXBMFYSA-N -1 0 358.394 2.366 50 0 FEAARM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1-n1cncn1 ZINC000237857128 206109268 /nfs/dbraw/zinc/10/92/68/206109268.db2.gz SUHMFEGSSNNYEE-COXVUDFISA-N -1 0 354.410 2.434 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000238020442 206112035 /nfs/dbraw/zinc/11/20/35/206112035.db2.gz ZVQOTBSYDMYQJB-LLVKDONJSA-N -1 0 363.805 2.033 50 0 FEAARM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136153963 206131215 /nfs/dbraw/zinc/13/12/15/206131215.db2.gz BUFWTALSBYIAQE-UWVGGRQHSA-N -1 0 373.236 2.435 50 0 FEAARM COc1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000790605 206132478 /nfs/dbraw/zinc/13/24/78/206132478.db2.gz RMEDAXOWLFADFH-SFHVURJKSA-N -1 0 368.389 2.367 50 0 biogenic,in-vitro FEAARM Cc1ccc(NC(=O)CC[C@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000000827445 206134679 /nfs/dbraw/zinc/13/46/79/206134679.db2.gz DZODCSYWZAUFLA-MRXNPFEDSA-N -1 0 366.373 2.463 50 0 FEAARM CN1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1=O ZINC000141242159 206136482 /nfs/dbraw/zinc/13/64/82/206136482.db2.gz LEIYFPCFJQPENJ-GOEBONIOSA-N -1 0 360.454 2.485 50 0 FEAARM COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1C ZINC000002100656 206152988 /nfs/dbraw/zinc/15/29/88/206152988.db2.gz GVOQVVHVIGRDCP-INIZCTEOSA-N -1 0 361.394 2.186 50 0 biogenic FEAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000002159820 206152378 /nfs/dbraw/zinc/15/23/78/206152378.db2.gz CPNFMHOQYNWLQO-UHFFFAOYSA-N -1 0 373.405 2.420 50 0 biogenic FEAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000002107059 206152538 /nfs/dbraw/zinc/15/25/38/206152538.db2.gz HFAPOHYQUXSMQS-HNNXBMFYSA-N -1 0 359.378 2.205 50 0 biogenic FEAARM Cc1ccc(C(=O)[O-])cc1N[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000006587415 206202944 /nfs/dbraw/zinc/20/29/44/206202944.db2.gz ADGQSEUNWXQFPE-KRWDZBQOSA-N -1 0 352.390 2.475 50 0 FEAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000008879924 206219124 /nfs/dbraw/zinc/21/91/24/206219124.db2.gz AASNJZKAXNNCFH-GFCCVEGCSA-N -1 0 359.378 2.063 50 0 FEAARM O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000165510829 206243499 /nfs/dbraw/zinc/24/34/99/206243499.db2.gz DNSOMKNRELSWSD-FYMRZPMTSA-N -1 0 362.470 2.032 50 0 FEAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000005976266 206240998 /nfs/dbraw/zinc/24/09/98/206240998.db2.gz NWJKQIVHIJCRPG-UHFFFAOYSA-N -1 0 364.379 2.153 50 0 FEAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(F)c1 ZINC000012630581 206293750 /nfs/dbraw/zinc/29/37/50/206293750.db2.gz IMVLRTLXIGJBOQ-UHFFFAOYSA-N -1 0 370.427 2.067 50 0 FEAARM CC(C)n1nnnc1-c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000181797505 206314820 /nfs/dbraw/zinc/31/48/20/206314820.db2.gz YOMRRVKVMPPRLC-ZDUSSCGKSA-N -1 0 365.459 2.232 50 0 FEAARM O=C([O-])c1nc[nH]c1C(=O)N(CCCO)Cc1cccc2ccccc21 ZINC000215443242 206347120 /nfs/dbraw/zinc/34/71/20/206347120.db2.gz UGCFFOPDHBWZRD-UHFFFAOYSA-N -1 0 353.378 2.286 50 0 FEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000057280222 206383917 /nfs/dbraw/zinc/38/39/17/206383917.db2.gz VBIMYTJTKCQEFY-UHFFFAOYSA-N -1 0 362.455 2.092 50 0 FEAARM CC(=O)N1CCc2cc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)ccc21 ZINC000057672968 206385431 /nfs/dbraw/zinc/38/54/31/206385431.db2.gz AUFFRRMHAPKEFX-UHFFFAOYSA-N -1 0 373.434 2.219 50 0 FEAARM O=c1nc(CSc2nnnn2-c2cccc(F)c2)[n-]c2ccsc21 ZINC000022255507 206368514 /nfs/dbraw/zinc/36/85/14/206368514.db2.gz COUJMNQFBYJFNU-UHFFFAOYSA-N -1 0 360.399 2.392 50 0 FEAARM Cc1nc2ccsc2c(N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)n1 ZINC000091663767 132203046 /nfs/dbraw/zinc/20/30/46/132203046.db2.gz BCIGEFGGLLKZRJ-UHFFFAOYSA-N -1 0 374.466 2.293 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000096399778 132225215 /nfs/dbraw/zinc/22/52/15/132225215.db2.gz UPPPKWHKXXWUHQ-UHFFFAOYSA-N -1 0 374.418 2.183 50 0 FEAARM O=C([O-])CSCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017074513 132373803 /nfs/dbraw/zinc/37/38/03/132373803.db2.gz TUAWWOMEZQLSAD-UHFFFAOYSA-N -1 0 362.373 2.172 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2c3ccccc3C(=O)NC2(C)C)cc1 ZINC000004110341 132386423 /nfs/dbraw/zinc/38/64/23/132386423.db2.gz RFXXQWKAMCOALV-UHFFFAOYSA-N -1 0 373.434 2.379 50 0 FEAARM COc1cccc(OC)c1C(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000091441313 542808025 /nfs/dbraw/zinc/80/80/25/542808025.db2.gz RZCFWRAGGKONHU-UONOGXRCSA-N -1 0 356.378 2.039 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2C(=O)[O-])c1OC ZINC000091526222 542811291 /nfs/dbraw/zinc/81/12/91/542811291.db2.gz IMQIWQJYSHFQFJ-UONOGXRCSA-N -1 0 374.393 2.249 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cccc(F)c1 ZINC000091747089 542823708 /nfs/dbraw/zinc/82/37/08/542823708.db2.gz IDLKTVINXJUFRO-UONOGXRCSA-N -1 0 354.341 2.037 50 0 FEAARM COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000046053532 136121985 /nfs/dbraw/zinc/12/19/85/136121985.db2.gz RMNQEZKSENFZTK-UHFFFAOYSA-N -1 0 356.378 2.482 50 0 FEAARM O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)COc1ccccc1 ZINC000064589145 136133389 /nfs/dbraw/zinc/13/33/89/136133389.db2.gz HQUZXWWXWMKWNQ-UHFFFAOYSA-N -1 0 356.378 2.239 50 0 FEAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1nc(-c3ccccc3)cs1)CC2 ZINC000095372160 542962723 /nfs/dbraw/zinc/96/27/23/542962723.db2.gz OOTBZKRUVOYBSU-AWEZNQCLSA-N -1 0 371.462 2.365 50 0 FEAARM CCc1cc(N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)nc(C)n1 ZINC000072146436 136142680 /nfs/dbraw/zinc/14/26/80/136142680.db2.gz ASZJSEYYHYAPKP-INIZCTEOSA-N -1 0 372.469 2.030 50 0 FEAARM COc1ccnc(N2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)n1 ZINC000072408469 136145387 /nfs/dbraw/zinc/14/53/87/136145387.db2.gz BOGYFLLMHFCABO-UHFFFAOYSA-N -1 0 369.381 2.022 50 0 FEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(c2ncnc3[nH]ccc32)CC1 ZINC000072456831 136148494 /nfs/dbraw/zinc/14/84/94/136148494.db2.gz VPMFKEWZFBOSJA-UHFFFAOYSA-N -1 0 353.382 2.164 50 0 FEAARM Cn1cc(-c2nc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cs2)cn1 ZINC000095356862 542958530 /nfs/dbraw/zinc/95/85/30/542958530.db2.gz BPVTXVGFKSHHQS-ZDUSSCGKSA-N -1 0 356.407 2.489 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000095357255 542959075 /nfs/dbraw/zinc/95/90/75/542959075.db2.gz KRZPMYFDRRGBQT-QGZVFWFLSA-N -1 0 366.417 2.378 50 0 FEAARM COc1ccc(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cc1 ZINC000095389363 542968554 /nfs/dbraw/zinc/96/85/54/542968554.db2.gz MDDQJNHYUCLSKB-DYESRHJHSA-N -1 0 367.401 2.327 50 0 FEAARM O=C([O-])[C@@]12CN(C(=O)Cc3ccc(O)cc3)C[C@@H]1c1ccccc1OC2 ZINC000095512405 542978069 /nfs/dbraw/zinc/97/80/69/542978069.db2.gz KHCIVXSJIFPLIM-OXQOHEQNSA-N -1 0 353.374 2.024 50 0 FEAARM O=c1[nH]ncn1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000095941733 542983566 /nfs/dbraw/zinc/98/35/66/542983566.db2.gz VAKRQMSAOVIGND-UHFFFAOYSA-N -1 0 368.777 2.154 50 0 FEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000095523008 542980163 /nfs/dbraw/zinc/98/01/63/542980163.db2.gz YQKOCAFRHBCSPV-HNNXBMFYSA-N -1 0 368.418 2.109 50 0 FEAARM Cn1cc(SCC(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])c2ccccc21 ZINC000096141986 542993168 /nfs/dbraw/zinc/99/31/68/542993168.db2.gz SAJLIZAVCUCRDF-KRWDZBQOSA-N -1 0 370.434 2.204 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1ccc(OCc2ccccn2)cc1 ZINC000097294649 543009584 /nfs/dbraw/zinc/00/95/84/543009584.db2.gz MOXWOWZCLVLANA-LJQANCHMSA-N -1 0 364.405 2.395 50 0 FEAARM O=C(NC1(CN2CCOCC2)CCCC1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097522169 543013116 /nfs/dbraw/zinc/01/31/16/543013116.db2.gz NWCQXMLWGJCZRU-UHFFFAOYSA-N -1 0 373.428 2.042 50 0 FEAARM CC(C)c1nnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)s1 ZINC000100621331 543025553 /nfs/dbraw/zinc/02/55/53/543025553.db2.gz DGAVGHDGKFBOGQ-UHFFFAOYSA-N -1 0 356.407 2.490 50 0 FEAARM Cc1cccc(OCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000102180574 543062462 /nfs/dbraw/zinc/06/24/62/543062462.db2.gz KVMVGNJYMYNESI-UHFFFAOYSA-N -1 0 369.446 2.339 50 0 FEAARM COCCCn1c(=O)c2ccc(C(=O)NC3(C)CCC3)cc2[n-]c1=S ZINC000125826505 543904189 /nfs/dbraw/zinc/90/41/89/543904189.db2.gz JYXKRNGIYWXBGL-UHFFFAOYSA-N -1 0 361.467 2.394 50 0 FEAARM CCOc1ccccc1[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])NC(C)=O ZINC000262682006 328880677 /nfs/dbraw/zinc/88/06/77/328880677.db2.gz SWQJDIWIUMZTJV-HOTGVXAUSA-N -1 0 362.426 2.118 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000299753100 519695731 /nfs/dbraw/zinc/69/57/31/519695731.db2.gz WVRAIJDZBCNGKM-BDXSIMOUSA-N -1 0 358.438 2.498 50 0 FEAARM CCCSCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091636774 520553326 /nfs/dbraw/zinc/55/33/26/520553326.db2.gz ZRUGNRVVDRYJFY-QWHCGFSZSA-N -1 0 351.424 2.185 50 0 FEAARM CCOc1ccc(-c2noc(CCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000269037106 520827729 /nfs/dbraw/zinc/82/77/29/520827729.db2.gz PARKRQWSFJGROZ-LJQANCHMSA-N -1 0 373.409 2.391 50 0 FEAARM CCCc1n[nH]cc1C(=O)N1C[C@@H](c2ccccc2OC)[C@H](C(=O)[O-])C1 ZINC000091526450 521463537 /nfs/dbraw/zinc/46/35/37/521463537.db2.gz XROHGSOGVQOFCN-LSDHHAIUSA-N -1 0 357.410 2.311 50 0 FEAARM CCS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262378587 521687569 /nfs/dbraw/zinc/68/75/69/521687569.db2.gz LCLAJSJKMFDULT-IMJJTQAJSA-N -1 0 365.451 2.338 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000237601244 525363369 /nfs/dbraw/zinc/36/33/69/525363369.db2.gz NEBIMQKBXFHDQB-RHSMWYFYSA-N -1 0 370.405 2.269 50 0 FEAARM Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1ccc(OCC(=O)[O-])cc1)C2 ZINC000269042516 525595815 /nfs/dbraw/zinc/59/58/15/525595815.db2.gz RDUPZNRPJVJGRZ-IBGZPJMESA-N -1 0 369.417 2.429 50 0 FEAARM Cc1c(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nnn1-c1ccccc1 ZINC000268956644 525691407 /nfs/dbraw/zinc/69/14/07/525691407.db2.gz YERXRWAYENZFGD-JLSDUUJJSA-N -1 0 368.437 2.363 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C1 ZINC000269169660 526278912 /nfs/dbraw/zinc/27/89/12/526278912.db2.gz HFJAWXOQFMZHTL-MRXNPFEDSA-N -1 0 373.430 2.207 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000091292619 527636202 /nfs/dbraw/zinc/63/62/02/527636202.db2.gz VEQDLHLMMZBTRY-ZDUSSCGKSA-N -1 0 356.216 2.084 50 0 FEAARM Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(C)(C)C)no3)cc2oc1=O ZINC000175648773 546327282 /nfs/dbraw/zinc/32/72/82/546327282.db2.gz YSWYYMICDDCSFS-UHFFFAOYSA-N -1 0 351.384 2.218 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000178050488 546730720 /nfs/dbraw/zinc/73/07/20/546730720.db2.gz QCVGZBZNPWIZKY-QGZVFWFLSA-N -1 0 350.374 2.223 50 0 FEAARM CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)N1CCC[C@H]1C ZINC000185293259 547965934 /nfs/dbraw/zinc/96/59/34/547965934.db2.gz NMEPAZOQBFRSMA-GFCCVEGCSA-N -1 0 350.448 2.062 50 0 FEAARM O=C([O-])CC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000193461027 548388465 /nfs/dbraw/zinc/38/84/65/548388465.db2.gz RAMVMVFRIPQZFU-RDJZCZTQSA-N -1 0 358.438 2.500 50 0 FEAARM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000237689601 548844852 /nfs/dbraw/zinc/84/48/52/548844852.db2.gz HKJNIRXYVRORSK-CQSZACIVSA-N -1 0 360.435 2.281 50 0 FEAARM O=C([O-])c1cccc(C(=O)N2CCN(c3ncnc4sccc43)CC2)c1 ZINC000238063470 548875748 /nfs/dbraw/zinc/87/57/48/548875748.db2.gz LDESZCHBVYAQJY-UHFFFAOYSA-N -1 0 368.418 2.352 50 0 FEAARM CN(Cc1ccccc1)[C@@H](c1cnn(C)c1)c1sc2ncnn2c1[O-] ZINC000252488472 549668905 /nfs/dbraw/zinc/66/89/05/549668905.db2.gz ISOQGCUEUQYODN-AWEZNQCLSA-N -1 0 354.439 2.451 50 0 FEAARM Cc1nc([C@H]2C[C@@H](O)C2)cc(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000253535463 549690332 /nfs/dbraw/zinc/69/03/32/549690332.db2.gz SBNBDROMWUBTSP-PHIMTYICSA-N -1 0 357.439 2.370 50 0 FEAARM O=C([O-])c1cc(N[C@H]2C[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)ccn1 ZINC000253535477 549690579 /nfs/dbraw/zinc/69/05/79/549690579.db2.gz URQKTIMRPBGQHV-BJHJDKERSA-N -1 0 355.398 2.234 50 0 FEAARM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000253535984 549691383 /nfs/dbraw/zinc/69/13/83/549691383.db2.gz AUVYGMYXJGZACE-MRVWCRGKSA-N -1 0 357.435 2.312 50 0 FEAARM COc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000262986764 549869099 /nfs/dbraw/zinc/86/90/99/549869099.db2.gz NXXLIFDOQOPZIV-QGZVFWFLSA-N -1 0 356.378 2.364 50 0 FEAARM Cc1oc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000263001408 549870230 /nfs/dbraw/zinc/87/02/30/549870230.db2.gz PVYQLAXXOZGLSW-LSDHHAIUSA-N -1 0 357.362 2.477 50 0 FEAARM Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)cn2)n1 ZINC000329210922 553903048 /nfs/dbraw/zinc/90/30/48/553903048.db2.gz ZUNHXUCOGPQLRK-AWEZNQCLSA-N -1 0 367.413 2.075 50 0 FEAARM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000376487558 558179806 /nfs/dbraw/zinc/17/98/06/558179806.db2.gz MJDXHSUBGLGXNW-RTCCRHLQSA-N -1 0 367.327 2.219 50 0 FEAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-c2cn3c(n2)SCC3)c1 ZINC000390828861 558611948 /nfs/dbraw/zinc/61/19/48/558611948.db2.gz UZKLTKVDMUBVJI-UHFFFAOYSA-N -1 0 361.452 2.190 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCCO3)c2)cc1 ZINC000390826534 558612115 /nfs/dbraw/zinc/61/21/15/558612115.db2.gz AFIIDDJUQKITMV-MRXNPFEDSA-N -1 0 363.439 2.456 50 0 FEAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)n1 ZINC000426612643 559738858 /nfs/dbraw/zinc/73/88/58/559738858.db2.gz JANWLHXVBDGXIH-OAHLLOKOSA-N -1 0 359.401 2.446 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1cccc(C(F)F)c1F ZINC000528993231 562355759 /nfs/dbraw/zinc/35/57/59/562355759.db2.gz JULFPUQBHHTIDH-UHFFFAOYSA-N -1 0 373.356 2.489 50 0 FEAARM CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)on1 ZINC000426435428 570605269 /nfs/dbraw/zinc/60/52/69/570605269.db2.gz PNSGECPMKPLRIC-ZDUSSCGKSA-N -1 0 360.414 2.174 50 0 FEAARM O=C(c1ccc(C(F)(F)F)s1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990584 570842660 /nfs/dbraw/zinc/84/26/60/570842660.db2.gz NUFJOPFKWINVLV-UHFFFAOYSA-N -1 0 368.340 2.301 50 0 FEAARM O=C(Cc1ccc(F)cc1)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000048203917 570936585 /nfs/dbraw/zinc/93/65/85/570936585.db2.gz YLVBPWZSVJASKN-UHFFFAOYSA-N -1 0 353.353 2.318 50 0 FEAARM O=C([O-])C1(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000118957985 571177669 /nfs/dbraw/zinc/17/76/69/571177669.db2.gz FMYNTADPPSVEKO-GFCCVEGCSA-N -1 0 359.357 2.447 50 0 FEAARM COc1cc(C(=O)[O-])ccc1-c1cccc(C(=O)N[C@H]2CCN(C)C2=O)c1 ZINC000584901014 571316138 /nfs/dbraw/zinc/31/61/38/571316138.db2.gz KFTCPNSEBDSOFB-INIZCTEOSA-N -1 0 368.389 2.021 50 0 FEAARM CCc1[nH]nc(C(=O)N=c2nc(CC3CC3)[n-]s2)c1Br ZINC000585114229 571320604 /nfs/dbraw/zinc/32/06/04/571320604.db2.gz FWQPFRPVYNHIBX-UHFFFAOYSA-N -1 0 356.249 2.213 50 0 FEAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)NCc2ccc3sccc3c2)C1 ZINC000670468796 571359443 /nfs/dbraw/zinc/35/94/43/571359443.db2.gz BVXPTRDXLIQCBE-ZDUSSCGKSA-N -1 0 354.453 2.032 50 0 FEAARM CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000170642518 672323363 /nfs/dbraw/zinc/32/33/63/672323363.db2.gz DTFKCMMAMLZPJI-VZUCSPMQSA-N -1 0 367.199 2.344 50 0 FEAARM CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000663141496 939857665 /nfs/dbraw/zinc/85/76/65/939857665.db2.gz MOMIMAMBNLANIQ-SPYBWZPUSA-N -1 0 357.410 2.097 50 0 FEAARM Cc1c(N(C)C(=S)SCC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000638412 539331547 /nfs/dbraw/zinc/33/15/47/539331547.db2.gz UYNFCSBHNKVDRC-UHFFFAOYSA-N -1 0 351.453 2.023 50 0 FEAARM CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001072091 539338316 /nfs/dbraw/zinc/33/83/16/539338316.db2.gz HHVFQCSRFJEFKU-UHFFFAOYSA-N -1 0 351.380 2.350 50 0 FEAARM O=C([O-])CCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002107000 539344535 /nfs/dbraw/zinc/34/45/35/539344535.db2.gz FSVZIQVNCHFFSF-UHFFFAOYSA-N -1 0 359.378 2.032 50 0 biogenic FEAARM O=C1[N-]C(=O)C(Br)(C(c2ccccc2)c2ccccc2)C(=O)N1 ZINC000002257395 539347033 /nfs/dbraw/zinc/34/70/33/539347033.db2.gz HGLQWNNYFVRCPA-UHFFFAOYSA-N -1 0 373.206 2.318 50 0 FEAARM O=C([O-])c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1 ZINC000002631683 539350169 /nfs/dbraw/zinc/35/01/69/539350169.db2.gz UVNKGGGHQLLTDY-ZDUSSCGKSA-N -1 0 361.423 2.197 50 0 FEAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000002748865 539352044 /nfs/dbraw/zinc/35/20/44/539352044.db2.gz JCDZGYMMZBPMLN-UHFFFAOYSA-N -1 0 350.400 2.463 50 0 FEAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3nn(C)cc3Cl)c2=O)s1 ZINC000002781038 539353011 /nfs/dbraw/zinc/35/30/11/539353011.db2.gz VHMHIEPXKIHXHP-UHFFFAOYSA-N -1 0 365.846 2.490 50 0 FEAARM O=C([O-])c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003045630 539359625 /nfs/dbraw/zinc/35/96/25/539359625.db2.gz DGTSLXNMDRIFEF-OCCSQVGLSA-N -1 0 369.446 2.363 50 0 FEAARM NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)cs1 ZINC000006681484 539433542 /nfs/dbraw/zinc/43/35/42/539433542.db2.gz OGRVIFRKRULXAA-UHFFFAOYSA-N -1 0 361.242 2.410 50 0 FEAARM Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000013077083 539583676 /nfs/dbraw/zinc/58/36/76/539583676.db2.gz DDODDIHGUDLMEE-UHFFFAOYSA-N -1 0 374.462 2.200 50 0 FEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000013153338 539584055 /nfs/dbraw/zinc/58/40/55/539584055.db2.gz NVOGELBWXVWEAA-GVDBMIGSSA-N -1 0 372.421 2.201 50 0 FEAARM Cc1cccc(-c2nnc(S[C@H](C)C(=O)NC3CC3)n2CCC(=O)[O-])c1 ZINC000013198454 539584077 /nfs/dbraw/zinc/58/40/77/539584077.db2.gz BIMDSQXOCDZSOO-GFCCVEGCSA-N -1 0 374.466 2.487 50 0 FEAARM COc1ccc(C(C)=O)cc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013240606 539584852 /nfs/dbraw/zinc/58/48/52/539584852.db2.gz GKXKMEJPXVLFNW-KRWDZBQOSA-N -1 0 370.405 2.393 50 0 FEAARM C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@H]1CC[C@H]2C(=O)[O-] ZINC000257349596 210005018 /nfs/dbraw/zinc/00/50/18/210005018.db2.gz PDRJFMGTKZFELS-YXDHVPQLSA-N -1 0 352.471 2.178 50 0 FEAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000014256873 539601093 /nfs/dbraw/zinc/60/10/93/539601093.db2.gz PBFBYIWNNUGRKR-UHFFFAOYSA-N -1 0 370.434 2.389 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 ZINC000015109661 539612827 /nfs/dbraw/zinc/61/28/27/539612827.db2.gz YDZPNPAPMCCGSQ-UHFFFAOYSA-N -1 0 363.391 2.198 50 0 FEAARM Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O ZINC000018208957 539647838 /nfs/dbraw/zinc/64/78/38/539647838.db2.gz NWIMGLPYBZMBGP-UHFFFAOYSA-N -1 0 355.217 2.379 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020574703 539675777 /nfs/dbraw/zinc/67/57/77/539675777.db2.gz OZHRKTPZGOCPOS-UHFFFAOYSA-N -1 0 363.420 2.308 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000020467545 539674740 /nfs/dbraw/zinc/67/47/40/539674740.db2.gz PQWSIJBAQNEDMO-UHFFFAOYSA-N -1 0 358.217 2.236 50 0 FEAARM COc1ccc(-c2cc3[n-]c(CN4CCOCC4)nc(=O)c3s2)cc1 ZINC000022226141 539692773 /nfs/dbraw/zinc/69/27/73/539692773.db2.gz IRQCBFKETWBEPD-UHFFFAOYSA-N -1 0 357.435 2.492 50 0 FEAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000024433215 539731616 /nfs/dbraw/zinc/73/16/16/539731616.db2.gz UCUFOASTIRIHEM-UHFFFAOYSA-N -1 0 367.354 2.486 50 0 FEAARM CCC[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000032210631 539930434 /nfs/dbraw/zinc/93/04/34/539930434.db2.gz XRCZZVVWVGSUGJ-CQSZACIVSA-N -1 0 350.440 2.437 50 0 FEAARM O=C([O-])CC[C@]1(CCC(=O)NCc2c(F)cccc2Cl)CCC(=O)N1 ZINC000223929330 209773002 /nfs/dbraw/zinc/77/30/02/209773002.db2.gz IPIZAOBZKDFSKA-KRWDZBQOSA-N -1 0 370.808 2.389 50 0 FEAARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1C ZINC000050821662 540415552 /nfs/dbraw/zinc/41/55/52/540415552.db2.gz QEPDNLAUDIFGBU-UHFFFAOYSA-N -1 0 365.407 2.140 50 0 FEAARM CN(C)S(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013251451 209579313 /nfs/dbraw/zinc/57/93/13/209579313.db2.gz AHOZXHJAHKJLMS-UHFFFAOYSA-N -1 0 368.455 2.301 50 0 FEAARM CCOCCn1c2cc(C(=O)[O-])cnc2n(Cc2ccc(F)cc2)c1=O ZINC000055343152 540647975 /nfs/dbraw/zinc/64/79/75/540647975.db2.gz BWERYDWFYVVXTA-UHFFFAOYSA-N -1 0 359.357 2.120 50 0 FEAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cnc(-c2ccco2)s1 ZINC000170621294 209546849 /nfs/dbraw/zinc/54/68/49/209546849.db2.gz YLAUXBQLXURJFQ-SNVBAGLBSA-N -1 0 356.425 2.032 50 0 FEAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])CC2)c2c(C)cc(=O)oc2c1 ZINC000002121209 209395837 /nfs/dbraw/zinc/39/58/37/209395837.db2.gz GROJVGYPODRKQN-UHFFFAOYSA-N -1 0 359.378 2.112 50 0 biogenic FEAARM CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002120918 209394915 /nfs/dbraw/zinc/39/49/15/209394915.db2.gz YUBKQLAPSNVVHF-LBPRGKRZSA-N -1 0 367.785 2.285 50 0 biogenic FEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000136462067 209374333 /nfs/dbraw/zinc/37/43/33/209374333.db2.gz RBOKCZVECNJEJB-QGZVFWFLSA-N -1 0 354.406 2.425 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000238131884 209359377 /nfs/dbraw/zinc/35/93/77/209359377.db2.gz KDZBVBJCZHOSCX-GFCCVEGCSA-N -1 0 352.799 2.389 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000238027641 209358171 /nfs/dbraw/zinc/35/81/71/209358171.db2.gz VJSJSIGUSOVYSZ-CQSZACIVSA-N -1 0 367.361 2.300 50 0 FEAARM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237658957 209352411 /nfs/dbraw/zinc/35/24/11/209352411.db2.gz CISZHKMACRVZJI-AWEZNQCLSA-N -1 0 360.435 2.358 50 0 FEAARM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237323201 209345317 /nfs/dbraw/zinc/34/53/17/209345317.db2.gz QJTPLISKDJKNNO-TVQRCGJNSA-N -1 0 374.206 2.079 50 0 FEAARM COc1ccc(Br)cc1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237114514 209334880 /nfs/dbraw/zinc/33/48/80/209334880.db2.gz JXZGJOYIYZBLII-HNNXBMFYSA-N -1 0 356.216 2.323 50 0 FEAARM COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000063628528 541176233 /nfs/dbraw/zinc/17/62/33/541176233.db2.gz URFPPKVMIJGAHZ-UHFFFAOYSA-N -1 0 357.409 2.289 50 0 FEAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)cn21 ZINC000065247223 541230235 /nfs/dbraw/zinc/23/02/35/541230235.db2.gz SKBHKTQPIUPWIC-UHFFFAOYSA-N -1 0 360.439 2.013 50 0 FEAARM CCc1ccccc1OCCN(C)C(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000065397929 541236002 /nfs/dbraw/zinc/23/60/02/541236002.db2.gz WOFZUSZGGKIQBF-UHFFFAOYSA-N -1 0 362.455 2.078 50 0 FEAARM COc1cccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000102171017 209233683 /nfs/dbraw/zinc/23/36/83/209233683.db2.gz WNCNHUCVTZCPSA-UHFFFAOYSA-N -1 0 355.419 2.161 50 0 FEAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(F)cc3Br)c2n1 ZINC000067225505 541434314 /nfs/dbraw/zinc/43/43/14/541434314.db2.gz LKAJJJFTPVXWAB-UHFFFAOYSA-N -1 0 365.162 2.485 50 0 FEAARM O=C([O-])c1n[nH]cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067755175 541508548 /nfs/dbraw/zinc/50/85/48/541508548.db2.gz CCSMEGGNNPLWAY-UHFFFAOYSA-N -1 0 366.377 2.270 50 0 FEAARM Cc1cc(C)n(-c2ccccc2CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])n1 ZINC000097468397 209181193 /nfs/dbraw/zinc/18/11/93/209181193.db2.gz QVSATGJIKNPKNY-GOSISDBHSA-N -1 0 351.410 2.224 50 0 FEAARM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069343115 541679335 /nfs/dbraw/zinc/67/93/35/541679335.db2.gz XLCNNVPOLQZRTC-ZJUUUORDSA-N -1 0 367.876 2.181 50 0 FEAARM COCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284101 541766024 /nfs/dbraw/zinc/76/60/24/541766024.db2.gz WPBKAIVPKRLXPC-QWHCGFSZSA-N -1 0 354.790 2.220 50 0 FEAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000071285138 541766877 /nfs/dbraw/zinc/76/68/77/541766877.db2.gz CXCHATOERCBZTM-UHFFFAOYSA-N -1 0 354.406 2.398 50 0 FEAARM CCOc1cccc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072426791 541810772 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O=C([O-])[C@]12CN(C(=O)c3cccc(F)c3)C[C@H]1CN(C(=O)C1CCCC1)C2 ZINC000096149584 209123061 /nfs/dbraw/zinc/12/30/61/209123061.db2.gz MYKHJAJZCMXOCF-FOIQADDNSA-N -1 0 374.412 2.001 50 0 FEAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000166233 206813896 /nfs/dbraw/zinc/81/38/96/206813896.db2.gz IBPKNKAQMAGNSR-LLVKDONJSA-N -1 0 350.234 2.227 50 0 FEAARM O=C([O-])CCN1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O ZINC000002503443 206919079 /nfs/dbraw/zinc/91/90/79/206919079.db2.gz CDXQBRBNXAMJND-SNVBAGLBSA-N -1 0 359.201 2.357 50 0 FEAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002966933 206948788 /nfs/dbraw/zinc/94/87/88/206948788.db2.gz HFYAYMJDMOJPIX-UHFFFAOYSA-N -1 0 365.407 2.292 50 0 FEAARM COc1ccc(OCCNC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004394988 207018004 /nfs/dbraw/zinc/01/80/04/207018004.db2.gz PUHIRNHJEOGYLS-UHFFFAOYSA-N -1 0 364.423 2.071 50 0 FEAARM Cc1nc(SCc2ccccc2)[n-]c(=O)c1Oc1ccc(=O)n(C)n1 ZINC000004924144 207062637 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0 FEAARM COc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000008024913 207216786 /nfs/dbraw/zinc/21/67/86/207216786.db2.gz DYCOGQVJTXBGNZ-MRXNPFEDSA-N -1 0 354.362 2.066 50 0 FEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2=O)s1 ZINC000008589461 207237369 /nfs/dbraw/zinc/23/73/69/207237369.db2.gz BOENIPXDIWDMHQ-UHFFFAOYSA-N -1 0 371.390 2.452 50 0 FEAARM Cc1cn2c(nc(C)c(S(=O)(=O)[N-]Cc3ccc(C)cc3)c2=O)s1 ZINC000008589451 207237647 /nfs/dbraw/zinc/23/76/47/207237647.db2.gz PBVDMLPHVUVDLE-UHFFFAOYSA-N -1 0 363.464 2.160 50 0 FEAARM C[C@H]1CCCCN1C(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530198 207276423 /nfs/dbraw/zinc/27/64/23/207276423.db2.gz NEHWRLMWRHVVNM-NSHDSACASA-N -1 0 353.469 2.291 50 0 FEAARM COc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc2c1OCCO2 ZINC000013449994 207461853 /nfs/dbraw/zinc/46/18/53/207461853.db2.gz MLHDCIHJFUKTFP-UHFFFAOYSA-N -1 0 355.346 2.368 50 0 FEAARM COc1ccc(-c2cc(=O)c3c([n-]n(-c4nc(C)cc(C)n4)c3=O)[nH]2)cc1 ZINC000018029761 207624853 /nfs/dbraw/zinc/62/48/53/207624853.db2.gz BOBBSGBYSRAAPD-UHFFFAOYSA-N -1 0 363.377 2.090 50 0 FEAARM COCCCn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C ZINC000030822912 208006768 /nfs/dbraw/zinc/00/67/68/208006768.db2.gz GTSPMOBLRZPFDR-UHFFFAOYSA-N -1 0 370.434 2.435 50 0 FEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCSCC2)c2ccc(F)cc21 ZINC000036353613 208158098 /nfs/dbraw/zinc/15/80/98/208158098.db2.gz BIFFTAREHYIFSF-HNNXBMFYSA-N -1 0 352.387 2.040 50 0 FEAARM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1ccccc1C(=O)[O-])[C@@H]3C2 ZINC000044075874 208311082 /nfs/dbraw/zinc/31/10/82/208311082.db2.gz UJCSAJNSMWSFHF-YRILPIOLSA-N -1 0 363.435 2.365 50 0 FEAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000299742938 208338240 /nfs/dbraw/zinc/33/82/40/208338240.db2.gz JOHCZHKZGALNHZ-JCYILVPMSA-N -1 0 358.438 2.246 50 0 FEAARM Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)[O-])o3)CC2=O)c(F)c1 ZINC000299743152 208338638 /nfs/dbraw/zinc/33/86/38/208338638.db2.gz JYCXWPOXSPSSGK-LLVKDONJSA-N -1 0 360.341 2.095 50 0 FEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000299747718 208342197 /nfs/dbraw/zinc/34/21/97/208342197.db2.gz DUZCAEVBVSYOAW-LLVKDONJSA-N -1 0 355.774 2.165 50 0 FEAARM Cc1ccc(N2CC[C@@H](C(=O)NCc3nc(C(=O)[O-])cs3)C2=O)cc1C ZINC000299749014 208354771 /nfs/dbraw/zinc/35/47/71/208354771.db2.gz IWVGCDUKMNPYSV-ZDUSSCGKSA-N -1 0 373.434 2.127 50 0 FEAARM COCCn1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c2ccccc21 ZINC000299749017 208355808 /nfs/dbraw/zinc/35/58/08/208355808.db2.gz IXCCNPMQYXTPLE-UHFFFAOYSA-N -1 0 374.437 2.384 50 0 FEAARM COc1ccc(-c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000299751233 208359131 /nfs/dbraw/zinc/35/91/31/208359131.db2.gz PZVXCEWTNBKGFE-QGZVFWFLSA-N -1 0 359.353 2.427 50 0 FEAARM COc1ccc(CNC(=O)C2=Cc3cccc(OC)c3OC2)cc1C(=O)[O-] ZINC000299748848 208359197 /nfs/dbraw/zinc/35/91/97/208359197.db2.gz IKSOGIAFJQPAHI-UHFFFAOYSA-N -1 0 369.373 2.494 50 0 FEAARM CC(C)c1ncc(Cl)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)n1 ZINC000299752204 208361007 /nfs/dbraw/zinc/36/10/07/208361007.db2.gz SVWVTQUJCKDTQX-NSHDSACASA-N -1 0 355.822 2.349 50 0 FEAARM Cc1cc(S(=O)(=O)N(C)c2ccccc2F)ccc1OCC(=O)[O-] ZINC000058390662 208582454 /nfs/dbraw/zinc/58/24/54/208582454.db2.gz UWLZGFPJZZRVCP-UHFFFAOYSA-N -1 0 353.371 2.423 50 0 FEAARM Cc1ccc(C)c(-c2cn3c(C(=O)NCc4n[nH]c(=O)[n-]4)csc3n2)c1 ZINC000067513566 208707256 /nfs/dbraw/zinc/70/72/56/208707256.db2.gz BFLVOKBYAZXEOC-UHFFFAOYSA-N -1 0 368.422 2.021 50 0 FEAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000072434976 208861471 /nfs/dbraw/zinc/86/14/71/208861471.db2.gz VUSWQEJSNCTPHM-HNNXBMFYSA-N -1 0 351.374 2.219 50 0 FEAARM CC(=O)Oc1ccc2occ([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 ZINC000074938356 208879872 /nfs/dbraw/zinc/87/98/72/208879872.db2.gz PFFPHYYANJHODY-HUUCEWRRSA-N -1 0 363.391 2.285 50 0 FEAARM Cc1ccccc1[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C(=O)[O-] ZINC000091305285 208973860 /nfs/dbraw/zinc/97/38/60/208973860.db2.gz NWOGGFFAKFYYJP-DLBZAZTESA-N -1 0 358.438 2.024 50 0 FEAARM Cc1ccncc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091858848 209000313 /nfs/dbraw/zinc/00/03/13/209000313.db2.gz TZERFPGDFGXWMP-LSDHHAIUSA-N -1 0 354.362 2.059 50 0 FEAARM CC(=O)c1cc(CC(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)cs1 ZINC000091807886 208996866 /nfs/dbraw/zinc/99/68/66/208996866.db2.gz FZUXCJTWEJTCOU-LSDHHAIUSA-N -1 0 358.419 2.215 50 0 FEAARM CC(C)=C[C@@H]1[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1(C)C ZINC000095997388 209095104 /nfs/dbraw/zinc/09/51/04/209095104.db2.gz NLSCHFVWRSVWHT-VXGBXAGGSA-N -1 0 351.365 2.463 50 0 FEAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000091951481 209008087 /nfs/dbraw/zinc/00/80/87/209008087.db2.gz LTCSMZDYORWBRS-LJQANCHMSA-N -1 0 359.426 2.311 50 0 FEAARM COc1cccc([C@@H]2CN(C(=O)c3cn4ccsc4n3)C[C@H]2C(=O)[O-])c1 ZINC000092002664 209010930 /nfs/dbraw/zinc/01/09/30/209010930.db2.gz GQUUNXFIGCVAQB-UONOGXRCSA-N -1 0 371.418 2.345 50 0 FEAARM Cc1nnc(SCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 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CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(Cn2cccn2)o1 ZINC000215575716 209638466 /nfs/dbraw/zinc/63/84/66/209638466.db2.gz IZGNGJGBUCAANG-UHFFFAOYSA-N -1 0 369.406 2.095 50 0 FEAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCOCC1 ZINC000002970201 209398823 /nfs/dbraw/zinc/39/88/23/209398823.db2.gz VYEACINTRHVBDQ-UHFFFAOYSA-N -1 0 361.467 2.478 50 0 FEAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c12 ZINC000002129591 209394860 /nfs/dbraw/zinc/39/48/60/209394860.db2.gz KCPXILCTWDXPRT-LBPRGKRZSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000002103772 209394040 /nfs/dbraw/zinc/39/40/40/209394040.db2.gz BMXGCWDTEDSBSJ-INIZCTEOSA-N -1 0 361.394 2.273 50 0 biogenic FEAARM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136154001 209374965 /nfs/dbraw/zinc/37/49/65/209374965.db2.gz BUFWTALSBYIAQE-ZJUUUORDSA-N -1 0 373.236 2.435 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000238198374 209360648 /nfs/dbraw/zinc/36/06/48/209360648.db2.gz TZKJVJVQOGJMBQ-LLVKDONJSA-N -1 0 367.199 2.246 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000238002141 209358706 /nfs/dbraw/zinc/35/87/06/209358706.db2.gz WOYLZLSKZDAPQV-KRWDZBQOSA-N -1 0 370.380 2.378 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000238058806 209358086 /nfs/dbraw/zinc/35/80/86/209358086.db2.gz TZKJVJVQOGJMBQ-NSHDSACASA-N -1 0 367.199 2.246 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000237930529 209355844 /nfs/dbraw/zinc/35/58/44/209355844.db2.gz RAYJBCYIISPESG-NSHDSACASA-N -1 0 360.332 2.113 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000237962986 209355326 /nfs/dbraw/zinc/35/53/26/209355326.db2.gz UUYLVBDPPFYHCR-IRXDYDNUSA-N -1 0 358.438 2.139 50 0 FEAARM COc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc(C(=O)[O-])c1OC ZINC000045946771 209328480 /nfs/dbraw/zinc/32/84/80/209328480.db2.gz PICDLQJUAHBHEZ-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM COc1ccc(Br)c(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000043508495 209300464 /nfs/dbraw/zinc/30/04/64/209300464.db2.gz WHRIFPBNJVSKMM-CYBMUJFWSA-N -1 0 360.229 2.148 50 0 FEAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)c1 ZINC000065183615 541227925 /nfs/dbraw/zinc/22/79/25/541227925.db2.gz JSNVMJJQHYQQMB-UHFFFAOYSA-N -1 0 368.440 2.226 50 0 FEAARM O=C(Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1)c1ccccc1 ZINC000102621519 209239926 /nfs/dbraw/zinc/23/99/26/209239926.db2.gz MCCSBSQWRYAFRE-UHFFFAOYSA-N -1 0 361.361 2.249 50 0 FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1 ZINC000101417493 209225178 /nfs/dbraw/zinc/22/51/78/209225178.db2.gz JXRFETZLRWNADO-SJORKVTESA-N -1 0 350.378 2.497 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101417436 209225342 /nfs/dbraw/zinc/22/53/42/209225342.db2.gz WGWHOFKIZOXTDP-DLBZAZTESA-N -1 0 350.378 2.497 50 0 FEAARM COc1ccc2c(C)c(C(=O)N3CCc4c(c(C(=O)[O-])nn4C)C3)oc2c1 ZINC000067921218 541528391 /nfs/dbraw/zinc/52/83/91/541528391.db2.gz GAMAHZHBKYCTNK-UHFFFAOYSA-N -1 0 369.377 2.380 50 0 FEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1N1CCOC1=O ZINC000067988216 541536169 /nfs/dbraw/zinc/53/61/69/541536169.db2.gz KOQZDZIFCMMAAC-OLZOCXBDSA-N -1 0 360.366 2.257 50 0 FEAARM O=C(NCCO)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000098067138 209202999 /nfs/dbraw/zinc/20/29/99/209202999.db2.gz WBWFHIXUBCNVPR-UHFFFAOYSA-N -1 0 372.805 2.002 50 0 FEAARM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000236809715 209198250 /nfs/dbraw/zinc/19/82/50/209198250.db2.gz MOQWWLGLQOTNEM-GFCCVEGCSA-N -1 0 352.818 2.453 50 0 FEAARM CC(=O)c1c(C)nn(CCc2nc(C3CCCC3)nn2CC(=O)[O-])c1C ZINC000097546519 209185633 /nfs/dbraw/zinc/18/56/33/209185633.db2.gz SRAQUHISCTYAGK-UHFFFAOYSA-N -1 0 359.430 2.279 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1C ZINC000069343175 541679250 /nfs/dbraw/zinc/67/92/50/541679250.db2.gz PWDUAUVWWGAAGG-GJZGRUSLSA-N -1 0 355.456 2.083 50 0 FEAARM O=C([O-])c1cc(-c2ccc(CO)cc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071771676 541772211 /nfs/dbraw/zinc/77/22/11/541772211.db2.gz YUGKRYAPONGILM-UHFFFAOYSA-N -1 0 361.419 2.329 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072421008 541808777 /nfs/dbraw/zinc/80/87/77/541808777.db2.gz ATWUMROKUGFDEN-UHFFFAOYSA-N -1 0 355.398 2.289 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC000072420125 541809026 /nfs/dbraw/zinc/80/90/26/541809026.db2.gz RTVBCBFDMSKEPU-MRXNPFEDSA-N -1 0 353.422 2.048 50 0 FEAARM CN(CCCc1cnn(C)c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072433397 541813510 /nfs/dbraw/zinc/81/35/10/541813510.db2.gz YKFSEIBPINXFNY-UHFFFAOYSA-N -1 0 352.398 2.039 50 0 FEAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CSc1ccc(Cl)cc1 ZINC000072438528 541814811 /nfs/dbraw/zinc/81/48/11/541814811.db2.gz FCSCJCDGBYEIGK-AWEZNQCLSA-N -1 0 351.815 2.366 50 0 FEAARM CCn1ccc(C(=O)N2CCC(Oc3cccc(C)c3)(C(=O)[O-])CC2)n1 ZINC000072429703 541811465 /nfs/dbraw/zinc/81/14/65/541811465.db2.gz CLXAFCPLIJRUMG-UHFFFAOYSA-N -1 0 357.410 2.350 50 0 FEAARM C[C@@H](NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1)c1n[nH]c(=O)[n-]1 ZINC000096159981 209128126 /nfs/dbraw/zinc/12/81/26/209128126.db2.gz YFQLZUUBVCOKRD-SNVBAGLBSA-N -1 0 359.386 2.080 50 0 FEAARM O=C([O-])c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004324879 207013770 /nfs/dbraw/zinc/01/37/70/207013770.db2.gz YHTRXKRISXDZFR-UHFFFAOYSA-N -1 0 368.389 2.072 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nnn[n-]2)c(OC)c1 ZINC000004675284 207037008 /nfs/dbraw/zinc/03/70/08/207037008.db2.gz LPFAXSHNFIPCQG-INIZCTEOSA-N -1 0 367.409 2.490 50 0 FEAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)cc1OC ZINC000004916513 207061343 /nfs/dbraw/zinc/06/13/43/207061343.db2.gz CVOPIVIDCVVLTL-UHFFFAOYSA-N -1 0 357.428 2.112 50 0 FEAARM COC(=O)c1cc(C(=O)c2cc(Br)ccc2[O-])coc1=N ZINC000005861934 207120049 /nfs/dbraw/zinc/12/00/49/207120049.db2.gz YQMFWLAVVNPAHR-UHFFFAOYSA-N -1 0 352.140 2.245 50 0 FEAARM COc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nnn[n-]2)cc1 ZINC000005670572 207110888 /nfs/dbraw/zinc/11/08/88/207110888.db2.gz REQOZUSKYVNTIY-OAHLLOKOSA-N -1 0 353.382 2.182 50 0 FEAARM CC[C@@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2 ZINC000006764326 207162848 /nfs/dbraw/zinc/16/28/48/207162848.db2.gz RJWPBNIEFVGNLT-MRVPVSSYSA-N -1 0 354.428 2.151 50 0 FEAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1 ZINC000006779764 207163506 /nfs/dbraw/zinc/16/35/06/207163506.db2.gz HYCLEPFAYWCODN-UHFFFAOYSA-N -1 0 368.411 2.400 50 0 FEAARM O=C(Nc1cc(=O)nc2[n-]c(C(F)(F)F)nn21)c1ccc(Cl)cc1 ZINC000009109189 207257355 /nfs/dbraw/zinc/25/73/55/207257355.db2.gz ZGMQPQNKYSNJOI-UHFFFAOYSA-N -1 0 357.679 2.342 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000009449187 207271425 /nfs/dbraw/zinc/27/14/25/207271425.db2.gz JITAPADTZIGFFM-UHFFFAOYSA-N -1 0 358.419 2.252 50 0 FEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012417022 207373533 /nfs/dbraw/zinc/37/35/33/207373533.db2.gz NFRQLEBBIIEUML-SECBINFHSA-N -1 0 366.370 2.355 50 0 FEAARM COc1ccc(NC(=O)C[C@@H]2N=C(Nc3cccc(C)c3)N=C2[O-])cc1 ZINC000013689325 207476933 /nfs/dbraw/zinc/47/69/33/207476933.db2.gz TWJYEQJOBKFICV-INIZCTEOSA-N -1 0 352.394 2.299 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cccn2)cc1 ZINC000077287837 542362655 /nfs/dbraw/zinc/36/26/55/542362655.db2.gz YGLHDMZCFSSTIS-OAHLLOKOSA-N -1 0 363.439 2.215 50 0 FEAARM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCCCC1 ZINC000032093987 208023147 /nfs/dbraw/zinc/02/31/47/208023147.db2.gz SNDQHCXJPNQROH-IPLHWJFFSA-N -1 0 371.393 2.359 50 0 FEAARM CCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000032958473 208061059 /nfs/dbraw/zinc/06/10/59/208061059.db2.gz DKVIRYFGVPSOPE-UHFFFAOYSA-N -1 0 372.863 2.308 50 0 FEAARM CCCn1c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2oc1=O ZINC000033048776 208069381 /nfs/dbraw/zinc/06/93/81/208069381.db2.gz SQORMPZJLIRXQL-UHFFFAOYSA-N -1 0 351.384 2.410 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(-n2cc(Br)cn2)c1 ZINC000299742050 208338352 /nfs/dbraw/zinc/33/83/52/208338352.db2.gz GNJFHKRIMBHRLG-ZDUSSCGKSA-N -1 0 364.199 2.324 50 0 FEAARM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccc1 ZINC000299746856 208340561 /nfs/dbraw/zinc/34/05/61/208340561.db2.gz BKRFVLUIIXUZTK-HNNXBMFYSA-N -1 0 373.796 2.425 50 0 FEAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299746604 208341032 /nfs/dbraw/zinc/34/10/32/208341032.db2.gz YLJNMGIATOEVIF-UHFFFAOYSA-N -1 0 374.828 2.457 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000299752240 208361376 /nfs/dbraw/zinc/36/13/76/208361376.db2.gz SYWCGKOPHLFSNJ-OAHLLOKOSA-N -1 0 368.414 2.383 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000299751760 208361426 /nfs/dbraw/zinc/36/14/26/208361426.db2.gz RPAXGIXGHWKUET-UAGQMJEPSA-N -1 0 369.421 2.422 50 0 FEAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)cn21 ZINC000065247230 208652862 /nfs/dbraw/zinc/65/28/62/208652862.db2.gz PAAXSXFOHRJDDS-UHFFFAOYSA-N -1 0 360.439 2.013 50 0 FEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCSCC1 ZINC000071282149 208759988 /nfs/dbraw/zinc/75/99/88/208759988.db2.gz BNDYOXXKHWLFCF-ZIAGYGMSSA-N -1 0 362.451 2.171 50 0 FEAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000072433721 208860817 /nfs/dbraw/zinc/86/08/17/208860817.db2.gz CPYPULKJAKJDQO-QGZVFWFLSA-N -1 0 355.390 2.245 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000072453496 208866508 /nfs/dbraw/zinc/86/65/08/208866508.db2.gz ZTBNXFBZKVVEFW-UHFFFAOYSA-N -1 0 352.394 2.428 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072454218 208867319 /nfs/dbraw/zinc/86/73/19/208867319.db2.gz NWTLXMODWJESEM-UHFFFAOYSA-N -1 0 356.357 2.220 50 0 FEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(OC)cc2)C1 ZINC000091818808 208999254 /nfs/dbraw/zinc/99/92/54/208999254.db2.gz CJPJUMLCMYVBAP-SFHVURJKSA-N -1 0 350.415 2.108 50 0 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FEAARM O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccccc1 ZINC000002966892 539357713 /nfs/dbraw/zinc/35/77/13/539357713.db2.gz MIOPKVBLDRZSBE-OAHLLOKOSA-N -1 0 364.430 2.061 50 0 FEAARM O=C([O-])CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000003293366 539362407 /nfs/dbraw/zinc/36/24/07/539362407.db2.gz CPFMSAOWIALYPS-UHFFFAOYSA-N -1 0 363.016 2.119 50 0 FEAARM Cc1cccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000003444216 539366327 /nfs/dbraw/zinc/36/63/27/539366327.db2.gz IOUFTDKKOHIRFP-QGZVFWFLSA-N -1 0 358.419 2.451 50 0 FEAARM O=C([O-])C[C@H](c1ccc(Cl)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000004092818 539376157 /nfs/dbraw/zinc/37/61/57/539376157.db2.gz JRXJVQMEHMEMFG-GFCCVEGCSA-N -1 0 352.239 2.240 50 0 FEAARM Cc1ccc(NC(=O)c2n[nH]nc2[N-]S(=O)(=O)c2ccccc2)cc1C ZINC000004499989 539386465 /nfs/dbraw/zinc/38/64/65/539386465.db2.gz BMCGXXMGBMFLPA-UHFFFAOYSA-N -1 0 371.422 2.475 50 0 FEAARM C[C@H](SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012813877 539575622 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CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000013849482 539592613 /nfs/dbraw/zinc/59/26/13/539592613.db2.gz NEIFBRKMEKYSHS-UHFFFAOYSA-N -1 0 354.378 2.396 50 0 FEAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)NC1CCCCC1 ZINC000015987960 539625889 /nfs/dbraw/zinc/62/58/89/539625889.db2.gz UYSVZHGIVDFCEO-UHFFFAOYSA-N -1 0 359.451 2.479 50 0 FEAARM C[C@H](c1ccccc1)n1c([O-])c([C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000017028470 539638381 /nfs/dbraw/zinc/63/83/81/539638381.db2.gz KEIJMPNOOHGZSA-BDJLRTHQSA-N -1 0 364.357 2.111 50 0 FEAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157343 539708254 /nfs/dbraw/zinc/70/82/54/539708254.db2.gz CATHIDBJMVNXPV-AWEZNQCLSA-N -1 0 362.430 2.490 50 0 FEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001131523 219377060 /nfs/dbraw/zinc/37/70/60/219377060.db2.gz NVOGELBWXVWEAA-YESZJQIVSA-N -1 0 372.421 2.201 50 0 FEAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000027757043 539816292 /nfs/dbraw/zinc/81/62/92/539816292.db2.gz JRNLIVVSEOXMBO-UHFFFAOYSA-N -1 0 371.212 2.416 50 0 FEAARM CC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)[O-])c3ccccc13)C2=O ZINC000032124457 539930028 /nfs/dbraw/zinc/93/00/28/539930028.db2.gz OQDGSDAPYRLSDR-UHFFFAOYSA-N -1 0 367.449 2.341 50 0 FEAARM Cc1ccc(F)cc1CNC(=O)CC[C@@]1(CCC(=O)[O-])CCC(=O)N1 ZINC000219442993 209683267 /nfs/dbraw/zinc/68/32/67/209683267.db2.gz BRGPOHCFUJLNDX-SFHVURJKSA-N -1 0 350.390 2.044 50 0 FEAARM CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000048367667 540359063 /nfs/dbraw/zinc/35/90/63/540359063.db2.gz QGNKETXRKXPBEU-UHFFFAOYSA-N -1 0 354.815 2.347 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2csc(C)n2)cc1OC ZINC000049547258 540390254 /nfs/dbraw/zinc/39/02/54/540390254.db2.gz VPBNFGCUQDTGGA-ZDUSSCGKSA-N -1 0 364.423 2.343 50 0 FEAARM COCCN(Cc1cnn(C)c1)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055327336 540647122 /nfs/dbraw/zinc/64/71/22/540647122.db2.gz FMTZKNBQTJJANF-QGZVFWFLSA-N -1 0 361.442 2.320 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cccc2F)cc2c1OCCO2 ZINC000057115817 540769227 /nfs/dbraw/zinc/76/92/27/540769227.db2.gz PCSDXQXKXPQLMA-UHFFFAOYSA-N -1 0 371.317 2.235 50 0 FEAARM Cc1c(O)ccc2c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc12 ZINC000002098978 209393092 /nfs/dbraw/zinc/39/30/92/209393092.db2.gz NVUSCGNULWDBOO-GOSISDBHSA-N -1 0 367.357 2.292 50 0 biogenic FEAARM CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C12CCC2 ZINC000150804455 209389160 /nfs/dbraw/zinc/38/91/60/209389160.db2.gz LTKOWGLTFDJXQU-LSDHHAIUSA-N -1 0 373.478 2.300 50 0 FEAARM O=C(COc1ccc2ccc(=O)oc2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238950471 209364714 /nfs/dbraw/zinc/36/47/14/209364714.db2.gz YHVHPRMGHULEPG-MQMHXKEQSA-N -1 0 359.378 2.179 50 0 FEAARM Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000237447159 209348641 /nfs/dbraw/zinc/34/86/41/209348641.db2.gz DKGDSAVIAWVAQJ-MNOVXSKESA-N -1 0 356.216 2.458 50 0 FEAARM O=C([O-])[C@H]1CCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000238102352 209361075 /nfs/dbraw/zinc/36/10/75/209361075.db2.gz UZOMKMRHGLEORQ-GFCCVEGCSA-N -1 0 366.215 2.472 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CCO1 ZINC000238143908 209359468 /nfs/dbraw/zinc/35/94/68/209359468.db2.gz CSPSTKRIWSGOGI-CYBMUJFWSA-N -1 0 358.375 2.482 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000238031582 209357895 /nfs/dbraw/zinc/35/78/95/209357895.db2.gz IVKUPMKQRBDPLQ-GOSISDBHSA-N -1 0 362.385 2.109 50 0 FEAARM Cc1c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cnn1-c1ccccc1 ZINC000237730840 209354068 /nfs/dbraw/zinc/35/40/68/209354068.db2.gz RWSVHVKWKISWGF-INIZCTEOSA-N -1 0 357.410 2.277 50 0 FEAARM Cc1c(C(=O)NC2(C(=O)[O-])CC2)cnn1-c1cccc(Br)c1 ZINC000237767957 209353827 /nfs/dbraw/zinc/35/38/27/209353827.db2.gz VGTXEBSEAOIEEC-UHFFFAOYSA-N -1 0 364.199 2.290 50 0 FEAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000121203225 209353476 /nfs/dbraw/zinc/35/34/76/209353476.db2.gz OMNZWFIPKBSAKB-BNOWGMLFSA-N -1 0 359.451 2.097 50 0 FEAARM Cc1cc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1Br ZINC000237600105 209352854 /nfs/dbraw/zinc/35/28/54/209352854.db2.gz WOBVCIQTKIOFQX-ZDUSSCGKSA-N -1 0 356.216 2.002 50 0 FEAARM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)ccc1OCC(=O)[O-] ZINC000058377422 540840957 /nfs/dbraw/zinc/84/09/57/540840957.db2.gz NSHQDJGUQRWULY-UHFFFAOYSA-N -1 0 363.391 2.194 50 0 FEAARM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237659015 209351899 /nfs/dbraw/zinc/35/18/99/209351899.db2.gz CISZHKMACRVZJI-CQSZACIVSA-N -1 0 360.435 2.358 50 0 FEAARM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237485925 209349857 /nfs/dbraw/zinc/34/98/57/209349857.db2.gz UYLIMTHFQWFHJI-RKDXNWHRSA-N -1 0 360.179 2.289 50 0 FEAARM COc1ccc(Br)cc1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237121660 209333982 /nfs/dbraw/zinc/33/39/82/209333982.db2.gz JEJJDPWWUXJRFF-LBPRGKRZSA-N -1 0 356.216 2.466 50 0 FEAARM Cc1cc(=O)oc2c1ccc([O-])c2NC(=O)C(=O)NCc1ccccc1 ZINC000049543503 209336507 /nfs/dbraw/zinc/33/65/07/209336507.db2.gz KWZQELBBYBSAES-UHFFFAOYSA-N -1 0 352.346 2.062 50 0 FEAARM COc1cccc(COC(=O)c2cccc(-n3[n-]c(=O)ccc3=O)c2)c1 ZINC000061069297 541126442 /nfs/dbraw/zinc/12/64/42/541126442.db2.gz IKNWEZGKQAJNEX-UHFFFAOYSA-N -1 0 352.346 2.304 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c(C)n1C ZINC000064922922 541220573 /nfs/dbraw/zinc/22/05/73/541220573.db2.gz QMDISZQLWBGLJN-UHFFFAOYSA-N -1 0 350.396 2.124 50 0 FEAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccccc2OC)s1 ZINC000065183817 541228533 /nfs/dbraw/zinc/22/85/33/541228533.db2.gz RYWBOBGGJHPGDS-UHFFFAOYSA-N -1 0 352.441 2.471 50 0 FEAARM COc1ccc(C)cc1-n1c(SCC(=O)[O-])nnc1-c1ccn(C)n1 ZINC000065451311 541239377 /nfs/dbraw/zinc/23/93/77/541239377.db2.gz OGERVGHUAXKPNR-UHFFFAOYSA-N -1 0 359.411 2.162 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1 ZINC000101277780 209223009 /nfs/dbraw/zinc/22/30/09/209223009.db2.gz KHHFFONFXRHVRC-JKSUJKDBSA-N -1 0 370.340 2.341 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101168546 209222340 /nfs/dbraw/zinc/22/23/40/209222340.db2.gz LCIFZKASHJLZJJ-HOTGVXAUSA-N -1 0 354.341 2.328 50 0 FEAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])n(-c2nc(C)cc(C)n2)n1 ZINC000071285157 541766958 /nfs/dbraw/zinc/76/69/58/541766958.db2.gz PXQOICBIKIZCKL-UHFFFAOYSA-N -1 0 365.393 2.467 50 0 FEAARM CCn1ncc(-c2csc(NC(=O)c3nccnc3C(=O)[O-])n2)c1C ZINC000071284615 541765577 /nfs/dbraw/zinc/76/55/77/541765577.db2.gz SKSCWPPCQDOTBS-UHFFFAOYSA-N -1 0 358.383 2.075 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)nc1)C2 ZINC000072137372 541785858 /nfs/dbraw/zinc/78/58/58/541785858.db2.gz NFFANOQNNDYAAO-UHFFFAOYSA-N -1 0 354.332 2.330 50 0 FEAARM CCCCS(=O)(=O)[N-]C(=O)Cc1cc(Br)ccc1OC ZINC000072305061 541798365 /nfs/dbraw/zinc/79/83/65/541798365.db2.gz JLUFLENZOUFMJJ-UHFFFAOYSA-N -1 0 364.261 2.246 50 0 FEAARM CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1 ZINC000072313015 541799081 /nfs/dbraw/zinc/79/90/81/541799081.db2.gz LWEFQVVXUJHSKS-UHFFFAOYSA-N -1 0 354.472 2.337 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1ccccc1-n1cccc1)C2 ZINC000072431239 541812767 /nfs/dbraw/zinc/81/27/67/541812767.db2.gz WLOPRDDLCITULE-UHFFFAOYSA-N -1 0 364.405 2.347 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1ccc3c(c1)CCC3)C2 ZINC000072439730 541814767 /nfs/dbraw/zinc/81/47/67/541814767.db2.gz GHRUJJCAQWGEFJ-UHFFFAOYSA-N -1 0 353.422 2.435 50 0 FEAARM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC000097117277 209171350 /nfs/dbraw/zinc/17/13/50/209171350.db2.gz LGJRYJBIJCIELV-UHFFFAOYSA-N -1 0 361.782 2.095 50 0 FEAARM CCOc1cc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c(Cl)cc1OC ZINC000097117694 209170636 /nfs/dbraw/zinc/17/06/36/209170636.db2.gz VOXRJMNLQOELOZ-AWEZNQCLSA-N -1 0 365.817 2.482 50 0 FEAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000013615473 220078954 /nfs/dbraw/zinc/07/89/54/220078954.db2.gz YBAVYADMJCZGMS-UHFFFAOYSA-N -1 0 354.362 2.110 50 0 FEAARM O=C([O-])c1ccccc1-n1nc(C2CC2)nc1-c1ccnc(-n2cnnc2)c1 ZINC000096139957 209120610 /nfs/dbraw/zinc/12/06/10/209120610.db2.gz WRKZCRMQFAWCHN-UHFFFAOYSA-N -1 0 373.376 2.486 50 0 FEAARM COc1cccc2c1OC[C@@H](CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C2 ZINC000299758341 206634800 /nfs/dbraw/zinc/63/48/00/206634800.db2.gz LUNVQLKRJLGRLI-GFCCVEGCSA-N -1 0 358.394 2.319 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000192415489 206689337 /nfs/dbraw/zinc/68/93/37/206689337.db2.gz GGCLVRZKUATMOP-INIZCTEOSA-N -1 0 356.353 2.136 50 0 FEAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000166231 206813729 /nfs/dbraw/zinc/81/37/29/206813729.db2.gz IBPKNKAQMAGNSR-NSHDSACASA-N -1 0 350.234 2.227 50 0 FEAARM Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002145756 206902580 /nfs/dbraw/zinc/90/25/80/206902580.db2.gz MNAPPUZUHREFBX-NWDGAFQWSA-N -1 0 373.405 2.337 50 0 biogenic FEAARM COc1ccc2c(C)c(CC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc2c1C ZINC000002102762 206902670 /nfs/dbraw/zinc/90/26/70/206902670.db2.gz 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/nfs/dbraw/zinc/23/17/71/209231771.db2.gz RGCDBLWJXXQPEF-AWEZNQCLSA-N -1 0 371.462 2.426 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4F)c=3c2=O)cc1 ZINC000101417987 209225607 /nfs/dbraw/zinc/22/56/07/209225607.db2.gz CGUCNCOMZOPFPP-HZPDHXFCSA-N -1 0 354.341 2.328 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1OC ZINC000101418173 209225646 /nfs/dbraw/zinc/22/56/46/209225646.db2.gz CZYQSSBWTGCVQB-SJORKVTESA-N -1 0 366.377 2.197 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101418147 209224818 /nfs/dbraw/zinc/22/48/18/209224818.db2.gz QFOLIQMLAAHVKS-CVEARBPZSA-N -1 0 372.331 2.467 50 0 FEAARM COCCc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccnc3)c2)cc1 ZINC000067890780 541526139 /nfs/dbraw/zinc/52/61/39/541526139.db2.gz NJFCLJTYRZMLRE-UHFFFAOYSA-N -1 0 372.450 2.316 50 0 FEAARM COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000101271017 209222744 /nfs/dbraw/zinc/22/27/44/209222744.db2.gz JLKJBHYKUVVEPL-JKSUJKDBSA-N -1 0 370.340 2.341 50 0 FEAARM Cc1cc(=O)n2nc(NC(=O)C(c3ccccc3)c3ccccc3)[n-]c2n1 ZINC000100650680 209216607 /nfs/dbraw/zinc/21/66/07/209216607.db2.gz RUTFUKIWMWBDBD-UHFFFAOYSA-N -1 0 359.389 2.497 50 0 FEAARM COc1ccc(N2N=C(C(C)=O)C3=C([O-])N(c4ccccc4)C(=O)[C@H]32)cc1 ZINC000100573258 209215389 /nfs/dbraw/zinc/21/53/89/209215389.db2.gz QMYKGQLMGLXVQZ-AEFFLSMTSA-N -1 0 363.373 2.018 50 0 FEAARM COc1cc2c(cc1OC)-c1nc3cc(C(=O)[O-])ccc3c(=O)n1CC2 ZINC000098212116 209208180 /nfs/dbraw/zinc/20/81/80/209208180.db2.gz GZXOKRUNKOBHKA-UHFFFAOYSA-N -1 0 352.346 2.335 50 0 FEAARM CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000098054841 209203290 /nfs/dbraw/zinc/20/32/90/209203290.db2.gz DDPBUEVJCVBKHN-PLNGDYQASA-N -1 0 359.831 2.371 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(C)o2)cc1OC ZINC000098042493 209202360 /nfs/dbraw/zinc/20/23/60/209202360.db2.gz FMGDALKGRGLWIG-TWGQIWQCSA-N -1 0 351.380 2.124 50 0 FEAARM O=C([O-])c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)s1 ZINC000097805757 209198143 /nfs/dbraw/zinc/19/81/43/209198143.db2.gz XTLBYLHMNDIHKS-UHFFFAOYSA-N -1 0 352.799 2.260 50 0 FEAARM O=C([O-])Cn1nc(-c2ccco2)nc1[C@@H]1CCCN(c2ccccn2)C1 ZINC000097773046 209197661 /nfs/dbraw/zinc/19/76/61/209197661.db2.gz IQJPCFGKTKYDOD-CYBMUJFWSA-N -1 0 353.382 2.402 50 0 FEAARM COc1ccc(Cc2nnc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)s2)cc1 ZINC000071285102 541766040 /nfs/dbraw/zinc/76/60/40/541766040.db2.gz ZRSRETSISIFPED-OLZOCXBDSA-N -1 0 361.423 2.433 50 0 FEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1N1CCCC1=O ZINC000071798132 541772358 /nfs/dbraw/zinc/77/23/58/541772358.db2.gz FZQLMLSZQZVWKG-KBPBESRZSA-N -1 0 358.394 2.428 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1scc3c1CCCC3)C2 ZINC000072128456 541785392 /nfs/dbraw/zinc/78/53/92/541785392.db2.gz HDFIGGVUFCMDCV-UHFFFAOYSA-N -1 0 359.451 2.497 50 0 FEAARM Cc1nn2c([n-]1)nc(CN1CCC[C@H]1c1nc3cc(F)ccc3[nH]1)cc2=O ZINC000072147319 541788786 /nfs/dbraw/zinc/78/87/86/541788786.db2.gz LAYAIWQCEQTPED-HNNXBMFYSA-N -1 0 367.388 2.491 50 0 FEAARM Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)N3CCCC3)C[C@H](C(=O)[O-])C2)c1 ZINC000072153483 541790980 /nfs/dbraw/zinc/79/09/80/541790980.db2.gz PQCOLJPJVWVVRE-SJORKVTESA-N -1 0 358.438 2.089 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000072425991 541811306 /nfs/dbraw/zinc/81/13/06/541811306.db2.gz KVWDEWXDMGHCFW-INIZCTEOSA-N -1 0 353.422 2.406 50 0 FEAARM CNc1cc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)ccn1 ZINC000072434541 541813167 /nfs/dbraw/zinc/81/31/67/541813167.db2.gz JDWONLZVBLSDGB-UHFFFAOYSA-N -1 0 355.394 2.262 50 0 FEAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072433718 541813667 /nfs/dbraw/zinc/81/36/67/541813667.db2.gz KERQSQAGFFAEKF-UHFFFAOYSA-N -1 0 356.357 2.220 50 0 FEAARM C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002022060 206742187 /nfs/dbraw/zinc/74/21/87/206742187.db2.gz BVNXQVWGWUHKMK-RHSMWYFYSA-N -1 0 370.405 2.113 50 0 FEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(Cc2cccc(Cl)c2)n1 ZINC000002805076 206937055 /nfs/dbraw/zinc/93/70/55/206937055.db2.gz KLGKWBJTZJFUEJ-UHFFFAOYSA-N -1 0 365.846 2.428 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2)cc1OC ZINC000004600976 207032412 /nfs/dbraw/zinc/03/24/12/207032412.db2.gz OPIFPULRTVAYOK-AWEZNQCLSA-N -1 0 365.407 2.198 50 0 FEAARM CN1C2=C(C(=O)N(c3ccc(C(=O)[O-])cc3)C2)[C@H](c2ccccc2)NC1=O ZINC000004726757 207042141 /nfs/dbraw/zinc/04/21/41/207042141.db2.gz DZSHSMBBXRFJRE-KRWDZBQOSA-N -1 0 363.373 2.382 50 0 FEAARM COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1 ZINC000004810128 207049089 /nfs/dbraw/zinc/04/90/89/207049089.db2.gz MVXYUANNEVYMMW-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM CC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005624592 207108840 /nfs/dbraw/zinc/10/88/40/207108840.db2.gz IRORXWRISHLQPQ-OBGWFSINSA-N -1 0 363.417 2.371 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c(OC)c1 ZINC000005711796 207113227 /nfs/dbraw/zinc/11/32/27/207113227.db2.gz GYXQDZKTCOWCJU-HNNXBMFYSA-N -1 0 367.409 2.490 50 0 FEAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cccc2nonc21 ZINC000006502393 207141738 /nfs/dbraw/zinc/14/17/38/207141738.db2.gz RKSKEFTWISBICS-UHFFFAOYSA-N -1 0 355.173 2.181 50 0 FEAARM O=C([O-])CNc1nc(C(F)(F)F)nc2c1cnn2Cc1ccccc1 ZINC000006649796 207152043 /nfs/dbraw/zinc/15/20/43/207152043.db2.gz OOWAAHJHLFYNIG-UHFFFAOYSA-N -1 0 351.288 2.390 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cn1C ZINC000006800551 207166155 /nfs/dbraw/zinc/16/61/55/207166155.db2.gz XJZLIHBBRIXFEY-UHFFFAOYSA-N -1 0 358.803 2.275 50 0 FEAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000006997177 207183147 /nfs/dbraw/zinc/18/31/47/207183147.db2.gz NIAGNEDWTHYSNM-UHFFFAOYSA-N -1 0 364.398 2.099 50 0 FEAARM O=c1[n-]c(SCc2nnnn2-c2ccccc2)nnc1-c1ccccc1 ZINC000009418994 207270221 /nfs/dbraw/zinc/27/02/21/207270221.db2.gz NPFZNISKSNWAKP-UHFFFAOYSA-N -1 0 363.406 2.100 50 0 FEAARM CN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000009336761 207267121 /nfs/dbraw/zinc/26/71/21/207267121.db2.gz OFPCFJMWGAXQJG-UHFFFAOYSA-N -1 0 350.374 2.344 50 0 FEAARM COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(OC)c1Br ZINC000036974142 207383724 /nfs/dbraw/zinc/38/37/24/207383724.db2.gz OSTULXGHCSZSAO-VIFPVBQESA-N -1 0 358.188 2.156 50 0 FEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017073302 207608882 /nfs/dbraw/zinc/60/88/82/207608882.db2.gz GEPIJSOBKPDQKK-MMADZMRASA-N -1 0 354.410 2.402 50 0 FEAARM CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000025286494 207892560 /nfs/dbraw/zinc/89/25/60/207892560.db2.gz QKQYWQLOCMFVIV-GOSISDBHSA-N -1 0 374.462 2.011 50 0 FEAARM COC(=O)c1occc1/C=C1\CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000032853615 208049346 /nfs/dbraw/zinc/04/93/46/208049346.db2.gz DAIIRRYHPQJQOT-DHZHZOJOSA-N -1 0 366.329 2.419 50 0 FEAARM CC[C@@H](C)NC(=O)Cn1c([O-])nc2c(-c3ccc(F)cc3)c[nH]c2c1=O ZINC000033038040 208068194 /nfs/dbraw/zinc/06/81/94/208068194.db2.gz DDOYSWNFDPYWOM-SNVBAGLBSA-N -1 0 358.373 2.151 50 0 FEAARM Cc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])c(-n2cnnc2)c1 ZINC000033087383 208070330 /nfs/dbraw/zinc/07/03/30/208070330.db2.gz MEDLZWPXEKFJNW-UHFFFAOYSA-N -1 0 352.350 2.291 50 0 FEAARM CC(C)(C)OC(=O)NCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528848 208202659 /nfs/dbraw/zinc/20/26/59/208202659.db2.gz IEQFHDBZITZXMZ-JTQLQIEISA-N -1 0 364.464 2.222 50 0 FEAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2)c1Cl ZINC000040152634 208238642 /nfs/dbraw/zinc/23/86/42/208238642.db2.gz QMOMJFLCCKZHNB-UHFFFAOYSA-N -1 0 365.802 2.457 50 0 FEAARM O=C(/C=C/c1cccc(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268534 208292143 /nfs/dbraw/zinc/29/21/43/208292143.db2.gz JWDHIBBZXQPAOE-QPJJXVBHSA-N -1 0 363.366 2.115 50 0 FEAARM CS(=O)(=O)Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000299743491 208337734 /nfs/dbraw/zinc/33/77/34/208337734.db2.gz NUSBQDDRAMRLID-KBMXLJTQSA-N -1 0 365.451 2.089 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)C1 ZINC000299743555 208341008 /nfs/dbraw/zinc/34/10/08/208341008.db2.gz OCWDSFZSFAFPEH-GFCCVEGCSA-N -1 0 353.365 2.336 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000299749012 208354526 /nfs/dbraw/zinc/35/45/26/208354526.db2.gz IWNLPRHRSUAJFO-WXHSDQCUSA-N -1 0 372.343 2.111 50 0 FEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc(CO)o2)CC1 ZINC000072408484 208848592 /nfs/dbraw/zinc/84/85/92/208848592.db2.gz YWOJAXOGSXEYFK-UHFFFAOYSA-N -1 0 359.378 2.219 50 0 FEAARM CN(C)Cc1nc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cs1 ZINC000091364728 208972939 /nfs/dbraw/zinc/97/29/39/208972939.db2.gz FFEQLWXBKPHSBQ-UONOGXRCSA-N -1 0 359.451 2.145 50 0 FEAARM CN1CC2(CCC1=O)CCN(C(=O)c1cc(=O)c3cccc(F)c3[n-]1)CC2 ZINC000091966318 209007580 /nfs/dbraw/zinc/00/75/80/209007580.db2.gz JZFUXSGQLQPSAV-UHFFFAOYSA-N -1 0 371.412 2.142 50 0 FEAARM Cc1nc(CCNC(=O)c2cccc(-n3cccn3)c2)sc1C(=O)[O-] ZINC000095386326 209043342 /nfs/dbraw/zinc/04/33/42/209043342.db2.gz JXGAAYGUBNAPCJ-UHFFFAOYSA-N -1 0 356.407 2.308 50 0 FEAARM COc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c(O)c1 ZINC000095505516 209065889 /nfs/dbraw/zinc/06/58/89/209065889.db2.gz HZLLORBWQNUVKT-FOIQADDNSA-N -1 0 369.373 2.104 50 0 FEAARM O=C([O-])[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl ZINC000095510185 209069078 /nfs/dbraw/zinc/06/90/78/209069078.db2.gz BRPZAIPDGCBUOJ-HNNXBMFYSA-N -1 0 364.829 2.231 50 0 FEAARM Cc1ncnc(N2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1C ZINC000215771911 132270654 /nfs/dbraw/zinc/27/06/54/132270654.db2.gz WLXFALBBPSPFPX-MRXNPFEDSA-N -1 0 370.453 2.268 50 0 FEAARM Cc1cccc(N2C(=Nc3nc(C)cc(C)n3)NC(=O)C[C@H]2C(=O)[O-])c1 ZINC000000814377 132378772 /nfs/dbraw/zinc/37/87/72/132378772.db2.gz IXYANFXMUSNZCI-AWEZNQCLSA-N -1 0 353.382 2.060 50 0 FEAARM COc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1OC ZINC000013435359 132867556 /nfs/dbraw/zinc/86/75/56/132867556.db2.gz QXBQZXRYCMVOLO-KRWDZBQOSA-N -1 0 357.362 2.125 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1Cc3ccccc3S1)C2 ZINC000091656526 542818207 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2.386 50 0 FEAARM COc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1OC1CCCC1 ZINC000262434265 522085433 /nfs/dbraw/zinc/08/54/33/522085433.db2.gz LADGHMMZMMLPIG-HNNXBMFYSA-N -1 0 363.410 2.332 50 0 FEAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000269030666 525068630 /nfs/dbraw/zinc/06/86/30/525068630.db2.gz MKLJCUSCCNZVFX-YJYMSZOUSA-N -1 0 371.389 2.037 50 0 FEAARM CS(=O)(=O)Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000268952161 525141468 /nfs/dbraw/zinc/14/14/68/525141468.db2.gz UNCUHJVOLZWHMA-OAGGEKHMSA-N -1 0 365.451 2.089 50 0 FEAARM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)CC1=O ZINC000299750884 526095445 /nfs/dbraw/zinc/09/54/45/526095445.db2.gz OQFGDYBVOQOYTH-AAEUAGOBSA-N -1 0 373.434 2.067 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000271918245 526293026 /nfs/dbraw/zinc/29/30/26/526293026.db2.gz SLZBJQZKQZIRDL-INIZCTEOSA-N -1 0 353.374 2.500 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1ccc(Br)s1 ZINC000088374223 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50 0 FEAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)CCCn2ccnc2)CC1 ZINC000072409961 541806815 /nfs/dbraw/zinc/80/68/15/541806815.db2.gz KOPGWSSJYRROBT-UHFFFAOYSA-N -1 0 357.410 2.188 50 0 FEAARM CCNc1ncc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000072421499 541809370 /nfs/dbraw/zinc/80/93/70/541809370.db2.gz XIIMQBRADDLBNQ-AWEZNQCLSA-N -1 0 354.410 2.311 50 0 FEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000072438379 541814978 /nfs/dbraw/zinc/81/49/78/541814978.db2.gz OUPAOCYJBPOZSN-HNNXBMFYSA-N -1 0 351.374 2.219 50 0 FEAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3cnc4ccccc43)CC2)on1 ZINC000072429171 541811455 /nfs/dbraw/zinc/81/14/55/541811455.db2.gz KBDCOGFPHUJDQB-UHFFFAOYSA-N -1 0 354.366 2.049 50 0 FEAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000072479843 541821758 /nfs/dbraw/zinc/82/17/58/541821758.db2.gz CPYPULKJAKJDQO-KRWDZBQOSA-N -1 0 355.390 2.245 50 0 FEAARM O=C([O-])[C@]12CN(C(=O)Cc3ccsc3)C[C@H]1COc1ccccc1C2 ZINC000096139698 209120361 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FEAARM COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000004868302 207057138 /nfs/dbraw/zinc/05/71/38/207057138.db2.gz DFQPNIUYHKWJSH-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM CCn1c(SCC(=O)[O-])nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000004903798 207059726 /nfs/dbraw/zinc/05/97/26/207059726.db2.gz UAEQNPOJRHPEAK-UHFFFAOYSA-N -1 0 353.400 2.168 50 0 FEAARM CCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000005034632 207074941 /nfs/dbraw/zinc/07/49/41/207074941.db2.gz ZMSXLMGXMNSFLU-QGZVFWFLSA-N -1 0 374.437 2.294 50 0 FEAARM COc1ccccc1NS(=O)(=O)[N-]C(=O)c1cn(C)c2ccccc12 ZINC000006672288 207154346 /nfs/dbraw/zinc/15/43/46/207154346.db2.gz MMEXDNGWZNHYJF-UHFFFAOYSA-N -1 0 359.407 2.274 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000007726641 207204661 /nfs/dbraw/zinc/20/46/61/207204661.db2.gz JWVBMKRMCBRSDR-UHFFFAOYSA-N -1 0 374.418 2.401 50 0 FEAARM CC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000007777718 207206166 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2.346 50 0 FEAARM CC(C)CCNC(=O)CCc1nnc(-c2ccc3c(c2)OCO3)[n-]c1=O ZINC000034768041 208109584 /nfs/dbraw/zinc/10/95/84/208109584.db2.gz YIIYAKGXUSHGCQ-UHFFFAOYSA-N -1 0 358.398 2.068 50 0 FEAARM CN(C)S(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000039315709 208208600 /nfs/dbraw/zinc/20/86/00/208208600.db2.gz OPMAUISNYFULSM-UHFFFAOYSA-N -1 0 352.387 2.337 50 0 FEAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccccc1Br ZINC000037591606 208185111 /nfs/dbraw/zinc/18/51/11/208185111.db2.gz IUEINUJSPYIJCF-VIFPVBQESA-N -1 0 350.234 2.323 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000075550138 208196259 /nfs/dbraw/zinc/19/62/59/208196259.db2.gz HGFKCXJRMGWPCP-UHFFFAOYSA-N -1 0 360.391 2.159 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299336323 208284776 /nfs/dbraw/zinc/28/47/76/208284776.db2.gz FJEDOOSPFPUFNO-MAZHCROVSA-N -1 0 365.451 2.256 50 0 FEAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000299747867 208342626 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FEAARM O=C(NCC1(c2ccc(F)cc2)CCC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000058202543 208566386 /nfs/dbraw/zinc/56/63/86/208566386.db2.gz YMJGOBLSWUKGEB-UHFFFAOYSA-N -1 0 368.368 2.015 50 0 FEAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)c2cscn2)CC1 ZINC000072439299 208863187 /nfs/dbraw/zinc/86/31/87/208863187.db2.gz XDXFKPYAOVOPQA-UHFFFAOYSA-N -1 0 356.407 2.209 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1c(Cl)cncc1Cl)CC2 ZINC000095352156 209022229 /nfs/dbraw/zinc/02/22/29/209022229.db2.gz PXLGHHCGASAQIC-LLVKDONJSA-N -1 0 372.252 2.286 50 0 FEAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCN3CCCCC3=O)C2)cc1 ZINC000095374024 209036386 /nfs/dbraw/zinc/03/63/86/209036386.db2.gz UMAMGVFRTYHIBW-QGZVFWFLSA-N -1 0 358.438 2.493 50 0 FEAARM Cn1cc(CC(=O)N2CCC[C@H](n3cc(C(=O)[O-])cn3)C2)c2ccccc21 ZINC000095453983 209052987 /nfs/dbraw/zinc/05/29/87/209052987.db2.gz OCJGYYLXWLYFGQ-INIZCTEOSA-N -1 0 366.421 2.479 50 0 FEAARM COc1cccc([C@@H](C(=O)[O-])N2CCN(Cc3ccc(F)cc3)C(=O)C2)c1 ZINC000095498140 209061697 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O=C([O-])[C@H]1C[C@@H](NC(=O)CN2C(=O)CCc3ccccc32)c2ccccc21 ZINC000653330483 568097328 /nfs/dbraw/zinc/09/73/28/568097328.db2.gz GDBSLEGKCSIKJK-DLBZAZTESA-N -1 0 364.401 2.395 50 0 FEAARM CC(C)(C(=O)[O-])C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000647741614 568275680 /nfs/dbraw/zinc/27/56/80/568275680.db2.gz WUZXLIXRGCUNJZ-NSHDSACASA-N -1 0 372.343 2.033 50 0 FEAARM Cn1ncc2c1[n-]cc(C(=O)Nc1cccc(N3CCCCC3=O)c1)c2=O ZINC000181122531 570772765 /nfs/dbraw/zinc/77/27/65/570772765.db2.gz ZFDBFKKTWVASAL-UHFFFAOYSA-N -1 0 365.393 2.443 50 0 FEAARM CSc1cccc(NC(=O)N2CCc3c(nc4cc[n-]n4c3=O)C2)c1 ZINC000102990156 570860864 /nfs/dbraw/zinc/86/08/64/570860864.db2.gz ADMKRILOLMIZRZ-UHFFFAOYSA-N -1 0 355.423 2.335 50 0 FEAARM C[C@H]1c2ccccc2O[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000119437400 571102253 /nfs/dbraw/zinc/10/22/53/571102253.db2.gz WIZMQSDEMKXNDF-LKFCYVNXSA-N -1 0 352.799 2.105 50 0 FEAARM O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1ccc(Cl)s1 ZINC000575621675 571173218 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O=C(/C=C\c1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222095165 672791814 /nfs/dbraw/zinc/79/18/14/672791814.db2.gz UYKXAMMOCOBNQL-YVMONPNESA-N -1 0 363.366 2.115 50 0 FEAARM Cc1ccc(NC(=O)N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cc1Cl ZINC000262313587 672913209 /nfs/dbraw/zinc/91/32/09/672913209.db2.gz OPEQQTBOUZGXCS-UHFFFAOYSA-N -1 0 365.817 2.189 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000001026579 539336661 /nfs/dbraw/zinc/33/66/61/539336661.db2.gz LPSONDAXRDNWQR-UHFFFAOYSA-N -1 0 354.409 2.294 50 0 FEAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002102355 539344512 /nfs/dbraw/zinc/34/45/12/539344512.db2.gz UMYSCSFQFDECSA-LBPRGKRZSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@H]3C(=O)[O-])c12 ZINC000002103076 539344880 /nfs/dbraw/zinc/34/48/80/539344880.db2.gz NAVWWJGPEUWRJI-ZDUSSCGKSA-N -1 0 359.378 2.118 50 0 FEAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OC(C)C ZINC000001439587 539342059 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CCN(CC)C(=O)c1sc(NC(=O)CCC(=O)[O-])c(C(=O)OC)c1C ZINC000005952356 539419346 /nfs/dbraw/zinc/41/93/46/539419346.db2.gz AYBASYHLUYEANK-UHFFFAOYSA-N -1 0 370.427 2.128 50 0 FEAARM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1F ZINC000010251174 539514124 /nfs/dbraw/zinc/51/41/24/539514124.db2.gz URKSUBDFVBLBJA-UHFFFAOYSA-N -1 0 367.315 2.244 50 0 FEAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1 ZINC000012822845 539575854 /nfs/dbraw/zinc/57/58/54/539575854.db2.gz XAPHPWKQVFMWOT-UHFFFAOYSA-N -1 0 351.453 2.185 50 0 FEAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000013549622 539587376 /nfs/dbraw/zinc/58/73/76/539587376.db2.gz JLBAEVOIHDERHA-OAHLLOKOSA-N -1 0 361.394 2.350 50 0 FEAARM CC(C)n1ncc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cnc21 ZINC000013260010 539585058 /nfs/dbraw/zinc/58/50/58/539585058.db2.gz IZTZEIJPQCWGIV-INIZCTEOSA-N -1 0 352.394 2.438 50 0 FEAARM O=C(Cn1cc(/C=C2\NC(=O)[N-]C2=O)c2ccccc21)Nc1ccccc1 ZINC000016489354 539632433 /nfs/dbraw/zinc/63/24/33/539632433.db2.gz FZYWSDJANIYPEW-YBEGLDIGSA-N -1 0 360.373 2.460 50 0 FEAARM COc1ccc(NC(=O)[C@H](Cc2cccs2)c2nnn[n-]2)cc1OC ZINC000019927683 539670719 /nfs/dbraw/zinc/67/07/19/539670719.db2.gz SCCSMFBVCMNTPF-GFCCVEGCSA-N -1 0 359.411 2.243 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000020426917 539674455 /nfs/dbraw/zinc/67/44/55/539674455.db2.gz PDOQSXLVRMRCJP-UHFFFAOYSA-N -1 0 372.402 2.280 50 0 FEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001130967 219377067 /nfs/dbraw/zinc/37/70/67/219377067.db2.gz IHVSYGJVGWCWRK-GVDBMIGSSA-N -1 0 374.437 2.425 50 0 FEAARM COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)[O-])cc1)c2=O ZINC000032959272 539961201 /nfs/dbraw/zinc/96/12/01/539961201.db2.gz NUMJXLYZCARZLL-UHFFFAOYSA-N -1 0 356.359 2.159 50 0 FEAARM Cc1ccc(N2CCN(C(=O)CN(CC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000034926588 539978548 /nfs/dbraw/zinc/97/85/48/539978548.db2.gz CONQAYJDRUFDOH-UHFFFAOYSA-N -1 0 367.449 2.235 50 0 FEAARM CCOC(=O)c1csc(=NC(=O)CCc2ccc(OC)c(OC)c2)[n-]1 ZINC000049961063 540395334 /nfs/dbraw/zinc/39/53/34/540395334.db2.gz VKEFDJZFBOGGIF-UHFFFAOYSA-N -1 0 364.423 2.908 50 0 FEAARM O=C([O-])c1ccc(Br)c(S(=O)(=O)NCc2ccccn2)c1 ZINC000013075151 209576773 /nfs/dbraw/zinc/57/67/73/209576773.db2.gz WAAVXJSVGGJCAL-UHFFFAOYSA-N -1 0 371.212 2.021 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000237986583 209357290 /nfs/dbraw/zinc/35/72/90/209357290.db2.gz QNSCNSONVHJSLC-XIRDDKMYSA-N -1 0 354.410 2.184 50 0 FEAARM Cc1sc(-c2ccco2)nc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237713825 209353244 /nfs/dbraw/zinc/35/32/44/209353244.db2.gz KJGDXUPBXFXFOW-UHFFFAOYSA-N -1 0 350.396 2.417 50 0 FEAARM CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000058402002 540841952 /nfs/dbraw/zinc/84/19/52/540841952.db2.gz DPPYPBDCECGQPQ-UHFFFAOYSA-N -1 0 362.407 2.477 50 0 FEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000047417796 209329001 /nfs/dbraw/zinc/32/90/01/209329001.db2.gz ASMYDKWMAYJJOW-UHFFFAOYSA-N -1 0 373.818 2.358 50 0 FEAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000047030367 209329017 /nfs/dbraw/zinc/32/90/17/209329017.db2.gz QJKASDOQIJRWGT-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM CCCCOC(=O)N1CCC2(CC1)N=C(C(=O)c1ccccc1)[N-]C2=O ZINC000063835331 541188630 /nfs/dbraw/zinc/18/86/30/541188630.db2.gz VPDXCAHFPAMRFN-UHFFFAOYSA-N -1 0 357.410 2.169 50 0 FEAARM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000065183872 541228380 /nfs/dbraw/zinc/22/83/80/541228380.db2.gz XUJORRSQABTFBS-UHFFFAOYSA-N -1 0 352.441 2.471 50 0 FEAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)cc1 ZINC000065183645 541228547 /nfs/dbraw/zinc/22/85/47/541228547.db2.gz LKKRJUBYNZMUAQ-UHFFFAOYSA-N -1 0 365.440 2.167 50 0 FEAARM Nc1c2nc(-c3ccccc3Cl)[n-]c(=O)c2nc(=O)n1-c1ccccc1 ZINC000100916291 209219129 /nfs/dbraw/zinc/21/91/29/209219129.db2.gz OFKKUSSIRPKFIR-UHFFFAOYSA-N -1 0 365.780 2.202 50 0 FEAARM O=C([O-])Cn1nc(-c2ccco2)nc1[C@H]1CCCN(c2ccccn2)C1 ZINC000097773045 209196994 /nfs/dbraw/zinc/19/69/94/209196994.db2.gz IQJPCFGKTKYDOD-ZDUSSCGKSA-N -1 0 353.382 2.402 50 0 FEAARM CC(=O)N[C@@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)C1CCCC1 ZINC000236713354 209197000 /nfs/dbraw/zinc/19/70/00/209197000.db2.gz PTAZSFBINUIZHU-GOSISDBHSA-N -1 0 372.465 2.326 50 0 FEAARM CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000097492369 209183278 /nfs/dbraw/zinc/18/32/78/209183278.db2.gz PFDYJSDDWXSNJA-MRXNPFEDSA-N -1 0 352.394 2.361 50 0 FEAARM Cc1cccc(C(=O)N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)c1C ZINC000096164015 209129527 /nfs/dbraw/zinc/12/95/27/209129527.db2.gz GPVWVUSSYNAFKM-IIBYNOLFSA-N -1 0 370.449 2.089 50 0 FEAARM COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000328595004 206711960 /nfs/dbraw/zinc/71/19/60/206711960.db2.gz IFLYICIUAKUYBP-SFHVURJKSA-N -1 0 371.389 2.200 50 0 FEAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002091767 206901818 /nfs/dbraw/zinc/90/18/18/206901818.db2.gz NYJXDEFJAKVHJE-IAQYHMDHSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002102357 206903177 /nfs/dbraw/zinc/90/31/77/206903177.db2.gz UMYSCSFQFDECSA-GFCCVEGCSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM C[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002270550 206907065 /nfs/dbraw/zinc/90/70/65/206907065.db2.gz TVVKFADETYGQFE-COOUDCDJSA-N -1 0 356.353 2.186 50 0 FEAARM O=C1N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004371874 207017306 /nfs/dbraw/zinc/01/73/06/207017306.db2.gz SMLKJICDHLUSRA-GYSYKLTISA-N -1 0 371.340 2.247 50 0 FEAARM COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004980061 207067965 /nfs/dbraw/zinc/06/79/65/207067965.db2.gz VBZKTKSXUUPPES-QGZVFWFLSA-N -1 0 374.418 2.151 50 0 FEAARM CC(C)[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976809 207068110 /nfs/dbraw/zinc/06/81/10/207068110.db2.gz DDBUCSDWHGZOCR-DKGMDFAASA-N -1 0 374.368 2.415 50 0 FEAARM COc1cccc(C[C@H](C(=O)Nc2cccc(OC)c2)c2nnn[n-]2)c1 ZINC000005485639 207102402 /nfs/dbraw/zinc/10/24/02/207102402.db2.gz IDYSMPBJLXBVSI-INIZCTEOSA-N -1 0 353.382 2.182 50 0 FEAARM C[C@@H](c1ccccc1)n1c([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000009045288 207255782 /nfs/dbraw/zinc/25/57/82/207255782.db2.gz KEIJMPNOOHGZSA-ZBEGNZNMSA-N -1 0 364.357 2.111 50 0 FEAARM O=C(CSc1ccc2c(c1)OCCO2)NC1(C(=O)[O-])CCCCC1 ZINC000013426190 207460618 /nfs/dbraw/zinc/46/06/18/207460618.db2.gz QIJDTNDVQNIRMB-UHFFFAOYSA-N -1 0 351.424 2.454 50 0 FEAARM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[N-]OCc1ccccc1)C2=O ZINC000025283262 207890464 /nfs/dbraw/zinc/89/04/64/207890464.db2.gz JPBSORZRWUTSKA-VBKZILBWSA-N -1 0 373.453 2.371 50 0 FEAARM C[C@]1(c2ccco2)NC(=O)N([N-]C(=O)c2csc(-c3ccco3)n2)C1=O ZINC000029603344 207995528 /nfs/dbraw/zinc/99/55/28/207995528.db2.gz DCKGDEURRXTVDU-MRXNPFEDSA-N -1 0 372.362 2.108 50 0 FEAARM CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 ZINC000030568730 208002561 /nfs/dbraw/zinc/00/25/61/208002561.db2.gz ABOFBFQZEGOKSJ-UHFFFAOYSA-N -1 0 358.445 2.023 50 0 FEAARM O=c1[nH]cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c(=O)[nH]1 ZINC000032553896 208031598 /nfs/dbraw/zinc/03/15/98/208031598.db2.gz SJFYALLNFANFOT-UHFFFAOYSA-N -1 0 359.363 2.069 50 0 FEAARM CC1CCN(C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)[n-]c2=O)CC1 ZINC000034768027 208109891 /nfs/dbraw/zinc/10/98/91/208109891.db2.gz XTGPZBWSGQVDMR-UHFFFAOYSA-N -1 0 370.409 2.164 50 0 FEAARM CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000034927230 208117774 /nfs/dbraw/zinc/11/77/74/208117774.db2.gz SHRUXHHMCQWNQW-UHFFFAOYSA-N -1 0 350.415 2.064 50 0 FEAARM COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000070666303 208179144 /nfs/dbraw/zinc/17/91/44/208179144.db2.gz PBWCYOHYYMLSNC-VXGBXAGGSA-N -1 0 360.366 2.258 50 0 FEAARM CCCCN1C(C(=O)Nc2ncccn2)=C([O-])c2ccccc2S1(=O)=O ZINC000038145190 208200191 /nfs/dbraw/zinc/20/01/91/208200191.db2.gz RRPQQFDRCHCXEU-UHFFFAOYSA-N -1 0 374.422 2.146 50 0 FEAARM CSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000041156667 208282900 /nfs/dbraw/zinc/28/29/00/208282900.db2.gz HQTPLMXAMMOLNA-LLVKDONJSA-N -1 0 351.815 2.278 50 0 FEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000299363740 208288659 /nfs/dbraw/zinc/28/86/59/208288659.db2.gz NTBOSDXZNSDZER-KSSFIOAISA-N -1 0 371.389 2.340 50 0 FEAARM CCOc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1OC ZINC000042256234 208291540 /nfs/dbraw/zinc/29/15/40/208291540.db2.gz ZABRSYYQMQXOPN-UHFFFAOYSA-N -1 0 371.361 2.491 50 0 FEAARM Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000042267140 208291588 /nfs/dbraw/zinc/29/15/88/208291588.db2.gz URZXLJUZLGKAAB-VMPITWQZSA-N -1 0 359.403 2.285 50 0 FEAARM CCOc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cs2)cc1 ZINC000299746843 208341017 /nfs/dbraw/zinc/34/10/17/208341017.db2.gz BHPFJQXXSFRKHA-AWEZNQCLSA-N -1 0 362.407 2.134 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000299747808 208342936 /nfs/dbraw/zinc/34/29/36/208342936.db2.gz FDOSXLFBPQNDCB-CHWSQXEVSA-N -1 0 368.227 2.292 50 0 FEAARM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cccc1N1CCNC1=O ZINC000299748318 208355060 /nfs/dbraw/zinc/35/50/60/208355060.db2.gz GWSPPWQGIILXRJ-INIZCTEOSA-N -1 0 367.405 2.470 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1 ZINC000299750169 208356489 /nfs/dbraw/zinc/35/64/89/208356489.db2.gz MRPRNSKRIBTIPL-UHFFFAOYSA-N -1 0 373.796 2.498 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299751557 208359654 /nfs/dbraw/zinc/35/96/54/208359654.db2.gz QZASTVVSYZHFMG-INIZCTEOSA-N -1 0 353.374 2.038 50 0 FEAARM COc1ccc(CN(C)C(=O)c2ccccc2[N-]S(C)(=O)=O)cc1F ZINC000057027022 208497861 /nfs/dbraw/zinc/49/78/61/208497861.db2.gz OQYDBAIPEZPONZ-UHFFFAOYSA-N -1 0 366.414 2.478 50 0 FEAARM Cc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)sc1C(=O)[O-] ZINC000058368321 208582876 /nfs/dbraw/zinc/58/28/76/208582876.db2.gz YTJKQSMABNAUOD-LLVKDONJSA-N -1 0 355.437 2.331 50 0 FEAARM Cn1cnc2cc(C(=O)N3CC[C@H](c4ccccc4C(=O)[O-])C3)cnc21 ZINC000072150713 208812695 /nfs/dbraw/zinc/81/26/95/208812695.db2.gz VYSONPFBGCVYPX-LBPRGKRZSA-N -1 0 350.378 2.296 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)c2ccc[nH]2)CC1 ZINC000072428379 208857532 /nfs/dbraw/zinc/85/75/32/208857532.db2.gz CPTYKSNJFRPXMG-UHFFFAOYSA-N -1 0 354.366 2.187 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000072431538 208859455 /nfs/dbraw/zinc/85/94/55/208859455.db2.gz RXYSYEUKTCKEED-UHFFFAOYSA-N -1 0 350.378 2.147 50 0 FEAARM Cc1ccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)cc1 ZINC000091931412 209006325 /nfs/dbraw/zinc/00/63/25/209006325.db2.gz OQPDYOJLKWRINH-MRXNPFEDSA-N -1 0 372.465 2.242 50 0 FEAARM O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(OC2CCCC2)cc1 ZINC000095959365 209092111 /nfs/dbraw/zinc/09/21/11/209092111.db2.gz DGVPJAGIHNHKIE-UHFFFAOYSA-N -1 0 359.411 2.247 50 0 FEAARM O=C([O-])CN(C(=O)c1ccc(Cn2nnc3ccccc32)cc1)C1CC1 ZINC000095969886 209091824 /nfs/dbraw/zinc/09/18/24/209091824.db2.gz XTFXTHVUMULBAG-UHFFFAOYSA-N -1 0 350.378 2.169 50 0 FEAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(-n3nnnc3C)cc2)C1 ZINC000092038684 209012880 /nfs/dbraw/zinc/01/28/80/209012880.db2.gz IFAQNHLBJPONII-IBGZPJMESA-N -1 0 371.441 2.007 50 0 FEAARM CC(C)n1c2ccccc2nc1-c1cn([C@@H](Cc2c[nH]cn2)C(=O)[O-])nn1 ZINC000095375002 209036415 /nfs/dbraw/zinc/03/64/15/209036415.db2.gz UQNMSBDQJQRQOH-INIZCTEOSA-N -1 0 365.397 2.467 50 0 FEAARM COc1cccc(OC)c1[C@@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000095384703 209042272 /nfs/dbraw/zinc/04/22/72/209042272.db2.gz DHSLJABWVFVMLO-IBGZPJMESA-N -1 0 371.437 2.042 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000095390295 209046648 /nfs/dbraw/zinc/04/66/48/209046648.db2.gz HCLLITKKTCWNRZ-MRXNPFEDSA-N -1 0 369.421 2.239 50 0 FEAARM Cc1cc([O-])c(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)c(=O)o1 ZINC000101590943 132234105 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Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(Cc4ccccc4)c(=O)c3c2=O)n1 ZINC000018063677 539645480 /nfs/dbraw/zinc/64/54/80/539645480.db2.gz ZVWQVRLHIILBEW-UHFFFAOYSA-N -1 0 361.405 2.313 50 0 FEAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@H](C(=O)[O-])C3 ZINC000020567622 539675903 /nfs/dbraw/zinc/67/59/03/539675903.db2.gz GVXNLVXOYWTIND-DOTOQJQBSA-N -1 0 361.401 2.364 50 0 FEAARM CN(C)c1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC000019878605 539670624 /nfs/dbraw/zinc/67/06/24/539670624.db2.gz WMUVSGBCOCOYCQ-CQSZACIVSA-N -1 0 371.418 2.270 50 0 FEAARM Cc1sc([N-]S(C)(=O)=O)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019951944 539671870 /nfs/dbraw/zinc/67/18/70/539671870.db2.gz DXPRCNAVFWGHKG-ZETCQYMHSA-N -1 0 353.425 2.209 50 0 FEAARM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001063468 219361547 /nfs/dbraw/zinc/36/15/47/219361547.db2.gz GFDNVPYRZKKDBP-LSDHHAIUSA-N -1 0 368.455 2.203 50 0 FEAARM O=C([O-])c1ccc2c(c1)n(CCCO)c(=O)n2Cc1c(F)cccc1F ZINC000055119342 540630216 /nfs/dbraw/zinc/63/02/16/540630216.db2.gz CXVCBAWGYMMQBK-UHFFFAOYSA-N -1 0 362.332 2.210 50 0 FEAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1 ZINC000057119427 540769016 /nfs/dbraw/zinc/76/90/16/540769016.db2.gz DRUURDKSWVNJKY-UHFFFAOYSA-N -1 0 362.407 2.454 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc2c1OCCO2 ZINC000057115810 540769309 /nfs/dbraw/zinc/76/93/09/540769309.db2.gz QXTOAJHJHVXFTB-UHFFFAOYSA-N -1 0 371.317 2.235 50 0 FEAARM O=C([O-])c1cccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000000938846 209383680 /nfs/dbraw/zinc/38/36/80/209383680.db2.gz HFMOBDZLESUHOA-UHFFFAOYSA-N -1 0 351.355 2.077 50 0 FEAARM C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000124608254 209363021 /nfs/dbraw/zinc/36/30/21/209363021.db2.gz YWXKKJOETGKHPL-GXTWGEPZSA-N -1 0 356.378 2.204 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1 ZINC000238124819 209360106 /nfs/dbraw/zinc/36/01/06/209360106.db2.gz RHEBPIZCLORIGQ-CYBMUJFWSA-N -1 0 366.826 2.318 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000238196105 209359937 /nfs/dbraw/zinc/35/99/37/209359937.db2.gz OQKKODJHXDWZQC-CQSZACIVSA-N -1 0 364.785 2.240 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000237922424 209357035 /nfs/dbraw/zinc/35/70/35/209357035.db2.gz ZEMIAJFOJUQPOE-AWEZNQCLSA-N -1 0 371.437 2.492 50 0 FEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1nncn1-c1ccccc1 ZINC000237924668 209356696 /nfs/dbraw/zinc/35/66/96/209356696.db2.gz LTFWKBBPAQFRCI-INIZCTEOSA-N -1 0 356.426 2.446 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cs2)cn1 ZINC000237803647 209355150 /nfs/dbraw/zinc/35/51/50/209355150.db2.gz YLRVXZRSPUDYLY-HNNXBMFYSA-N -1 0 368.418 2.195 50 0 FEAARM Cc1ccccc1-n1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC000237730691 209354656 /nfs/dbraw/zinc/35/46/56/209354656.db2.gz YSRNZURVVBIFTR-MRXNPFEDSA-N -1 0 357.410 2.277 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cs2)cn1 ZINC000237803778 209354270 /nfs/dbraw/zinc/35/42/70/209354270.db2.gz ASFVDFOXFLXQOR-BPNCWPANSA-N -1 0 360.439 2.402 50 0 FEAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000121203492 209354103 /nfs/dbraw/zinc/35/41/03/209354103.db2.gz OMNZWFIPKBSAKB-YUTCNCBUSA-N -1 0 359.451 2.097 50 0 FEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000237648192 209351786 /nfs/dbraw/zinc/35/17/86/209351786.db2.gz MWXBVGPSPIOLDI-GUYCJALGSA-N -1 0 350.802 2.016 50 0 FEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000237651029 209351841 /nfs/dbraw/zinc/35/18/41/209351841.db2.gz MWXBVGPSPIOLDI-DYVFJYSZSA-N -1 0 350.802 2.016 50 0 FEAARM Cc1cc(Br)c([O-])c(C(=O)N(C)CC(=O)NC(C)(C)C)c1 ZINC000058393421 540841080 /nfs/dbraw/zinc/84/10/80/540841080.db2.gz JJEVRIIVYZUYRV-UHFFFAOYSA-N -1 0 357.248 2.450 50 0 FEAARM COc1ccc(Br)cc1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000237113338 209333964 /nfs/dbraw/zinc/33/39/64/209333964.db2.gz MTSGDFRNHRRCCS-UHFFFAOYSA-N -1 0 356.216 2.323 50 0 FEAARM COc1ccc(Br)cc1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237121953 209334089 /nfs/dbraw/zinc/33/40/89/209334089.db2.gz QHMPWEWDSZHDDF-NSHDSACASA-N -1 0 356.216 2.323 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000048354213 209330900 /nfs/dbraw/zinc/33/09/00/209330900.db2.gz VEGAVIWLDIJLEC-UHFFFAOYSA-N -1 0 357.391 2.460 50 0 FEAARM O=C([O-])[C@]1(NC(=O)CCc2cccc(Br)c2)CCSC1 ZINC000043510366 209302751 /nfs/dbraw/zinc/30/27/51/209302751.db2.gz LQVQSNMOHLUTDW-AWEZNQCLSA-N -1 0 358.257 2.458 50 0 FEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(Br)cc2F)C1 ZINC000062913202 541155041 /nfs/dbraw/zinc/15/50/41/541155041.db2.gz HVUZBPPHHYTYIE-CQSZACIVSA-N -1 0 360.179 2.290 50 0 FEAARM C[C@@]1(C(=O)[O-])Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000102347286 209235006 /nfs/dbraw/zinc/23/50/06/209235006.db2.gz HBFIQUGMXPVEPU-GOSISDBHSA-N -1 0 352.325 2.294 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101417430 209224866 /nfs/dbraw/zinc/22/48/66/209224866.db2.gz WGWHOFKIZOXTDP-SJORKVTESA-N -1 0 350.378 2.497 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccnc3)c2)cc1C ZINC000067890760 541526122 /nfs/dbraw/zinc/52/61/22/541526122.db2.gz SRZKWHMZFGAFDW-UHFFFAOYSA-N -1 0 358.423 2.444 50 0 FEAARM CCn1c2ccccc2c([O-])c(C2=Nc3ccccc3S(=O)(=O)[N-]2)c1=O ZINC000100688090 209215670 /nfs/dbraw/zinc/21/56/70/209215670.db2.gz DZYPLUQOZHFGDL-UHFFFAOYSA-N -1 0 369.402 2.097 50 0 FEAARM COC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621290 209215064 /nfs/dbraw/zinc/21/50/64/209215064.db2.gz ZHUBBYREOBUIBW-UHFFFAOYSA-N -1 0 364.357 2.302 50 0 FEAARM CCOC(=O)c1c([O-])c2cnc(SC)nc2n(Cc2ccccc2)c1=O ZINC000100227148 209212445 /nfs/dbraw/zinc/21/24/45/209212445.db2.gz OOFVXQPUOCGAJP-UHFFFAOYSA-N -1 0 371.418 2.444 50 0 FEAARM O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000098054807 209203823 /nfs/dbraw/zinc/20/38/23/209203823.db2.gz NWRWMYULZPTHQL-RJRFIUFISA-N -1 0 351.405 2.038 50 0 FEAARM C[C@@H]1C(=O)N(C)CCN1Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000097680020 209193266 /nfs/dbraw/zinc/19/32/66/209193266.db2.gz USPQKQWGDISADG-CYBMUJFWSA-N -1 0 358.394 2.219 50 0 FEAARM CC(C)c1nc(-c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)n[nH]1 ZINC000071284342 541765909 /nfs/dbraw/zinc/76/59/09/541765909.db2.gz HPFIWYTWVYCWKZ-UHFFFAOYSA-N -1 0 352.354 2.336 50 0 FEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCSCC1 ZINC000071282152 541765535 /nfs/dbraw/zinc/76/55/35/541765535.db2.gz BNDYOXXKHWLFCF-KGLIPLIRSA-N -1 0 362.451 2.171 50 0 FEAARM CN(c1ncccc1C(=O)N1CCOC[C@H]1CC(=O)[O-])C1CCCCC1 ZINC000072141921 541787246 /nfs/dbraw/zinc/78/72/46/541787246.db2.gz XTNRYTKUBOSCME-OAHLLOKOSA-N -1 0 361.442 2.166 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000072400803 541804937 /nfs/dbraw/zinc/80/49/37/541804937.db2.gz VRRKAQUKYXVYMQ-LBPRGKRZSA-N -1 0 353.338 2.155 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1ccccc1N1CCCC1)C2 ZINC000072428339 541812037 /nfs/dbraw/zinc/81/20/37/541812037.db2.gz DAPSSNMHKDKRDW-UHFFFAOYSA-N -1 0 368.437 2.157 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)Cc1cccc(F)c1F)C2 ZINC000072472821 541818524 /nfs/dbraw/zinc/81/85/24/541818524.db2.gz VXICICCQIDDYNK-UHFFFAOYSA-N -1 0 363.364 2.154 50 0 FEAARM Cc1nccn1CCc1nc(Cc2cccc(Cl)c2)nn1CC(=O)[O-] ZINC000097117086 209171646 /nfs/dbraw/zinc/17/16/46/209171646.db2.gz MFFOTKHVYSIUKZ-UHFFFAOYSA-N -1 0 359.817 2.355 50 0 FEAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000013629541 220079635 /nfs/dbraw/zinc/07/96/35/220079635.db2.gz HBUYVHDWUDHFLQ-HXUWFJFHSA-N -1 0 363.373 2.335 50 0 FEAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)N[C@@H](C)CC)cc1 ZINC000075476428 542181669 /nfs/dbraw/zinc/18/16/69/542181669.db2.gz KZTYSIKFDDVGOZ-NSHDSACASA-N -1 0 366.443 2.138 50 0 FEAARM O=C([O-])C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000299784351 206647976 /nfs/dbraw/zinc/64/79/76/206647976.db2.gz HRIWGEAJHKIRDO-FQEVSTJZSA-N -1 0 368.389 2.022 50 0 FEAARM CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)[C@H]2C1 ZINC000299790465 206651496 /nfs/dbraw/zinc/65/14/96/206651496.db2.gz CJALOHABNVPOOY-ZJNRKIDTSA-N -1 0 350.415 2.128 50 0 FEAARM CCCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002107118 206902453 /nfs/dbraw/zinc/90/24/53/206902453.db2.gz YQSVIOLXHVQCNK-HNNXBMFYSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM Nc1nc(SCC(=O)c2cc(-c3ccccc3)no2)ncc1C(=O)[O-] ZINC000004307524 207012387 /nfs/dbraw/zinc/01/23/87/207012387.db2.gz BGURNWJBJQHJLP-UHFFFAOYSA-N -1 0 356.363 2.387 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000004628806 207033933 /nfs/dbraw/zinc/03/39/33/207033933.db2.gz QVQRRHDQFDKVAK-NWDGAFQWSA-N -1 0 363.366 2.089 50 0 FEAARM Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000004702179 207039851 /nfs/dbraw/zinc/03/98/51/207039851.db2.gz RQSOXOUYOQKJFG-UHFFFAOYSA-N -1 0 362.407 2.098 50 0 FEAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1)N1CCOCC1 ZINC000004742265 207044649 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50 0 FEAARM COC(=O)C1=C(Nc2ccccc2NC(=O)CCCC(=O)[O-])CSC1 ZINC000001032504 539336932 /nfs/dbraw/zinc/33/69/32/539336932.db2.gz ZSZCTGKWKCGYRK-UHFFFAOYSA-N -1 0 364.423 2.466 50 0 FEAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002095351 539344672 /nfs/dbraw/zinc/34/46/72/539344672.db2.gz KMKKEMAIPHSTFA-SFHVURJKSA-N -1 0 361.394 2.350 50 0 biogenic FEAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)n1 ZINC000002780501 539352886 /nfs/dbraw/zinc/35/28/86/539352886.db2.gz FMYJPBUIBVRRTM-JTQLQIEISA-N -1 0 371.466 2.492 50 0 FEAARM COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000003220016 539360817 /nfs/dbraw/zinc/36/08/17/539360817.db2.gz UYZVOBZDHCEWGY-HNNXBMFYSA-N -1 0 369.826 2.323 50 0 FEAARM O=C([O-])c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000003239646 539361279 /nfs/dbraw/zinc/36/12/79/539361279.db2.gz RHQYYIVDRJCNCZ-UHFFFAOYSA-N -1 0 362.338 2.166 50 0 FEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl ZINC000003510369 539368628 /nfs/dbraw/zinc/36/86/28/539368628.db2.gz GLCBDGIAMQFQFL-AWEZNQCLSA-N -1 0 360.193 2.079 50 0 FEAARM COc1ccccc1NC(=O)[C@H](C)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003510319 539368666 /nfs/dbraw/zinc/36/86/66/539368666.db2.gz PBYGATUSNZTUES-NSHDSACASA-N -1 0 367.361 2.303 50 0 FEAARM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000005314618 539407895 /nfs/dbraw/zinc/40/78/95/539407895.db2.gz PDOJRLCPGIXFER-UHFFFAOYSA-N -1 0 358.466 2.089 50 0 FEAARM C[S@@](=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005360339 539409518 /nfs/dbraw/zinc/40/95/18/539409518.db2.gz MDEZTJYZPLBVRB-UZJPJQLHSA-N -1 0 353.227 2.337 50 0 FEAARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)cc1 ZINC000005558696 539413099 /nfs/dbraw/zinc/41/30/99/539413099.db2.gz SNGKOZQJKXQVDL-NTEUORMPSA-N -1 0 368.345 2.076 50 0 FEAARM O=C([O-])[C@@H](CSCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000006864249 539439986 /nfs/dbraw/zinc/43/99/86/539439986.db2.gz SECBDBJQAWLGRE-OAHLLOKOSA-N -1 0 369.439 2.491 50 0 FEAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007327451 539454834 /nfs/dbraw/zinc/45/48/34/539454834.db2.gz HGAPMBZMSQSSSM-UHFFFAOYSA-N -1 0 351.362 2.358 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000010515621 539518079 /nfs/dbraw/zinc/51/80/79/539518079.db2.gz OTLVMHKDZQVQCT-UHFFFAOYSA-N -1 0 362.407 2.196 50 0 FEAARM CC[C@@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)[O-] ZINC000012764550 539573148 /nfs/dbraw/zinc/57/31/48/539573148.db2.gz FHSBFVYPKANALJ-MWLCHTKSSA-N -1 0 360.505 2.314 50 0 FEAARM O=C([O-])c1ccc(-n2ncc(NC3CCC(O)CC3)c(Cl)c2=O)cc1 ZINC000013036451 539583453 /nfs/dbraw/zinc/58/34/53/539583453.db2.gz CURXLRZFOGMZQP-UHFFFAOYSA-N -1 0 363.801 2.300 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000013171265 539584070 /nfs/dbraw/zinc/58/40/70/539584070.db2.gz WPCONENPQHYQGZ-AAOUONPWSA-N -1 0 351.786 2.448 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000013317189 539585653 /nfs/dbraw/zinc/58/56/53/539585653.db2.gz HAAVBHGGNSCRNK-UHFFFAOYSA-N -1 0 352.390 2.437 50 0 FEAARM O=C1N[C@H](c2ccccc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000015906270 539625304 /nfs/dbraw/zinc/62/53/04/539625304.db2.gz SCRCGIHQSKHGKJ-XJKCOSOUSA-N -1 0 365.311 2.186 50 0 FEAARM CCCn1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O ZINC000020757887 539677321 /nfs/dbraw/zinc/67/73/21/539677321.db2.gz LASZFLTWLZDASN-KRWDZBQOSA-N -1 0 368.437 2.101 50 0 FEAARM O=C([N-]c1nncs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000021215697 539681930 /nfs/dbraw/zinc/68/19/30/539681930.db2.gz MRAMQZQIAMVUQA-UHFFFAOYSA-N -1 0 358.470 2.027 50 0 FEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000021631754 539685985 /nfs/dbraw/zinc/68/59/85/539685985.db2.gz KUIMKVRGZCBWQC-UHFFFAOYSA-N -1 0 360.391 2.312 50 0 FEAARM CCN1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(OC)c2)CC1 ZINC000022031310 539690469 /nfs/dbraw/zinc/69/04/69/539690469.db2.gz LMUYYWGUGBZRPU-OAHLLOKOSA-N -1 0 373.482 2.232 50 0 FEAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458933 539694764 /nfs/dbraw/zinc/69/47/64/539694764.db2.gz JQJMZLWGDMNSTD-CQSZACIVSA-N -1 0 361.446 2.281 50 0 FEAARM Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1 ZINC000225617508 209824742 /nfs/dbraw/zinc/82/47/42/209824742.db2.gz KZMAADUQRMHZFE-FZMZJTMJSA-N -1 0 369.464 2.056 50 0 FEAARM COc1ccc(CNC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1 ZINC000051317246 540430070 /nfs/dbraw/zinc/43/00/70/540430070.db2.gz IQRAOQJVMQCSRJ-UHFFFAOYSA-N -1 0 361.448 2.402 50 0 FEAARM O=C([O-])COc1ccccc1/C=C1\NC(=S)N(Cc2ccco2)C1=O ZINC000013302730 209579647 /nfs/dbraw/zinc/57/96/47/209579647.db2.gz TUXPOKXKXFWATI-JYRVWZFOSA-N -1 0 358.375 2.001 50 0 FEAARM O=C([O-])[C@H]1CCCN(C(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000055042694 540623639 /nfs/dbraw/zinc/62/36/39/540623639.db2.gz PGQTUCHDCHXBGF-LBPRGKRZSA-N -1 0 351.424 2.263 50 0 FEAARM NC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000002139584 209394111 /nfs/dbraw/zinc/39/41/11/209394111.db2.gz KJWMKTDSEUUPGO-UHFFFAOYSA-N -1 0 363.373 2.005 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000238013259 209358554 /nfs/dbraw/zinc/35/85/54/209358554.db2.gz FBNDBBOJDFIHAT-MSOLQXFVSA-N -1 0 372.465 2.181 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000238043629 209357681 /nfs/dbraw/zinc/35/76/81/209357681.db2.gz SRWDCGUJMIYCOZ-GOSISDBHSA-N -1 0 364.401 2.465 50 0 FEAARM O=C([O-])c1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)n(-c2ccccc2)n1 ZINC000237981036 209356716 /nfs/dbraw/zinc/35/67/16/209356716.db2.gz NXMWLNMDEORJMX-QGZVFWFLSA-N -1 0 367.361 2.377 50 0 FEAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000237734484 209353965 /nfs/dbraw/zinc/35/39/65/209353965.db2.gz UEDFRGOPJQWDPJ-HNNXBMFYSA-N -1 0 356.378 2.094 50 0 FEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000237659327 209352771 /nfs/dbraw/zinc/35/27/71/209352771.db2.gz DYAZUSRBUPCUKF-PBHICJAKSA-N -1 0 358.438 2.418 50 0 FEAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c1 ZINC000049543749 209335544 /nfs/dbraw/zinc/33/55/44/209335544.db2.gz JIGIJDIBZWWDQW-CQSZACIVSA-N -1 0 350.334 2.257 50 0 FEAARM COc1cc(S(=O)(=O)Nc2cccc(F)c2)cc(C(=O)[O-])c1OC ZINC000045946181 209327931 /nfs/dbraw/zinc/32/79/31/209327931.db2.gz KHJIJWTZMVFBPX-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(OC)cc2)s1 ZINC000065183723 541228173 /nfs/dbraw/zinc/22/81/73/541228173.db2.gz IDNALXWHEWYCJE-UHFFFAOYSA-N -1 0 352.441 2.471 50 0 FEAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)nn32)cc1 ZINC000065183562 541228486 /nfs/dbraw/zinc/22/84/86/541228486.db2.gz JSVZLOREDIENBF-UHFFFAOYSA-N -1 0 350.425 2.411 50 0 FEAARM CCN1CCCn2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1=O ZINC000065258796 541231169 /nfs/dbraw/zinc/23/11/69/541231169.db2.gz FHUTXNPENOIXNF-UHFFFAOYSA-N -1 0 351.403 2.294 50 0 FEAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)Nc3ccc(F)c(F)c3)C2)nn1 ZINC000065430315 541237854 /nfs/dbraw/zinc/23/78/54/541237854.db2.gz RESAEFYXFKOQHD-SNVBAGLBSA-N -1 0 365.340 2.199 50 0 FEAARM COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1 ZINC000067192632 541430939 /nfs/dbraw/zinc/43/09/39/541430939.db2.gz PSFYLRHAWBFTLO-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(OC)c4)c=3c2=O)cc1 ZINC000101277706 209223384 /nfs/dbraw/zinc/22/33/84/209223384.db2.gz BALCFQTUNZJSSZ-HOTGVXAUSA-N -1 0 352.350 2.202 50 0 FEAARM COc1ccccc1-n1c(O)c2n(-c3ccccc3)[n-]c(C(C)=O)c-2c1=O ZINC000100933672 209218884 /nfs/dbraw/zinc/21/88/84/209218884.db2.gz WRJOXENWIHHHEC-SJLPKXTDSA-N -1 0 363.373 2.018 50 0 FEAARM COc1cc2[nH]c(=O)c(C(=O)NCc3ccc(C)cc3)c([O-])c2cc1OC ZINC000100632530 209216398 /nfs/dbraw/zinc/21/63/98/209216398.db2.gz WJBOAIFKWIYHQH-UHFFFAOYSA-N -1 0 368.389 2.489 50 0 FEAARM COc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccc(C)cc4)=NOC3=C2[O-])cc1 ZINC000100354737 209214059 /nfs/dbraw/zinc/21/40/59/209214059.db2.gz UPKLGNZIGILXLA-QAPCUYQASA-N -1 0 364.357 2.131 50 0 FEAARM Cc1cc(C)n(C(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)n1 ZINC000098212026 209207947 /nfs/dbraw/zinc/20/79/47/209207947.db2.gz IQFXTBRTWRWIKO-UHFFFAOYSA-N -1 0 373.438 2.329 50 0 FEAARM CC(=O)N[C@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236719584 209197781 /nfs/dbraw/zinc/19/77/81/209197781.db2.gz PLVQIDKHHINALD-RHSMWYFYSA-N -1 0 352.818 2.231 50 0 FEAARM CN(Cc1ccon1)Cc1cc(-c2cncnc2)ccc1OCC(=O)[O-] ZINC000097696312 209193768 /nfs/dbraw/zinc/19/37/68/209193768.db2.gz ZDGUQIHYIDFIRJ-UHFFFAOYSA-N -1 0 354.366 2.227 50 0 FEAARM NC(=O)[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000068440431 541592822 /nfs/dbraw/zinc/59/28/22/541592822.db2.gz ZGFKSBOPBVGCMB-GFCCVEGCSA-N -1 0 350.777 2.259 50 0 FEAARM COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071287659 541766918 /nfs/dbraw/zinc/76/69/18/541766918.db2.gz MRJXXZBGYJDENF-LSDHHAIUSA-N -1 0 362.426 2.376 50 0 FEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(F)c(CO)c2)c1 ZINC000071749178 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COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCOC(C)C)[nH]c2C[C@H]1C ZINC000002499379 539349058 /nfs/dbraw/zinc/34/90/58/539349058.db2.gz HNLIFRRBNSDTJQ-MFKMUULPSA-N -1 0 351.399 2.069 50 0 FEAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NC2CCCC2)c1OC ZINC000002624779 539350108 /nfs/dbraw/zinc/35/01/08/539350108.db2.gz YQXVEBSZUCUVNM-BQYQJAHWSA-N -1 0 355.412 2.023 50 0 FEAARM Cc1nn(C)cc1C(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000002778914 539352646 /nfs/dbraw/zinc/35/26/46/539352646.db2.gz OFFUBKMYMUJJPB-UHFFFAOYSA-N -1 0 357.439 2.071 50 0 FEAARM CSCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000003327429 539363719 /nfs/dbraw/zinc/36/37/19/539363719.db2.gz DNWPAUWVUOSNBE-SECBINFHSA-N -1 0 358.268 2.478 50 0 FEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000004200318 539378483 /nfs/dbraw/zinc/37/84/83/539378483.db2.gz MATKQBMBHKZQDC-CQSZACIVSA-N -1 0 350.415 2.103 50 0 FEAARM CCOC(=O)c1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000004318889 539381491 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CCOC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)NC)c2)cc1 ZINC000006681563 539434070 /nfs/dbraw/zinc/43/40/70/539434070.db2.gz UOXTYCZALVQWSC-UHFFFAOYSA-N -1 0 368.436 2.085 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cn1C ZINC000006777857 539436857 /nfs/dbraw/zinc/43/68/57/539436857.db2.gz QVSCDRXSQYDFQP-UHFFFAOYSA-N -1 0 368.411 2.020 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OCC)cn1C ZINC000006777985 539437532 /nfs/dbraw/zinc/43/75/32/539437532.db2.gz QOGJHPISQAEIEX-UHFFFAOYSA-N -1 0 352.412 2.401 50 0 FEAARM CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000007779351 539466700 /nfs/dbraw/zinc/46/67/00/539466700.db2.gz PEPLNXXIYPNBKI-UHFFFAOYSA-N -1 0 350.348 2.329 50 0 FEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000011906592 539538509 /nfs/dbraw/zinc/53/85/09/539538509.db2.gz AJWXAPQDRANYMZ-UHFFFAOYSA-N -1 0 373.434 2.103 50 0 FEAARM COC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012508213 539562625 /nfs/dbraw/zinc/56/26/25/539562625.db2.gz JYBCLJSTRLGGDH-NSHDSACASA-N -1 0 354.453 2.314 50 0 FEAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc1 ZINC000023157290 539708622 /nfs/dbraw/zinc/70/86/22/539708622.db2.gz ZQQHSYIFSRVFPE-AWEZNQCLSA-N -1 0 360.439 2.235 50 0 FEAARM CCn1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cn1 ZINC000024577138 539734908 /nfs/dbraw/zinc/73/49/08/539734908.db2.gz JUYMSCAWZAMYGO-UHFFFAOYSA-N -1 0 360.233 2.475 50 0 FEAARM O=C([O-])c1ccc(-n2nnnc2Oc2ccc3ccc(=O)oc3c2)cc1 ZINC000000529151 219304784 /nfs/dbraw/zinc/30/47/84/219304784.db2.gz NXXGXTLQGHVVQF-UHFFFAOYSA-N -1 0 350.290 2.259 50 0 FEAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000026421268 539786557 /nfs/dbraw/zinc/78/65/57/539786557.db2.gz KCKXKVJUYWGMOC-JTQLQIEISA-N -1 0 361.379 2.058 50 0 FEAARM COc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000033114700 539968917 /nfs/dbraw/zinc/96/89/17/539968917.db2.gz YCXXCRYZYOIVKX-CABCVRRESA-N -1 0 358.304 2.471 50 0 FEAARM Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)s2)cc1 ZINC000034927195 539978536 /nfs/dbraw/zinc/97/85/36/539978536.db2.gz CGPQJYDKNPAQEB-LLVKDONJSA-N -1 0 374.422 2.036 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1c(O)ccc2c(C)cc(=O)oc21 ZINC000040268033 540009290 /nfs/dbraw/zinc/00/92/90/540009290.db2.gz VXYSJIOZWBTJAV-UHFFFAOYSA-N -1 0 350.352 2.213 50 0 FEAARM O=C([O-])[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000230036282 222899856 /nfs/dbraw/zinc/89/98/56/222899856.db2.gz DKIDUEFGXKKXNI-UTGUJQJDSA-N -1 0 354.399 2.316 50 0 FEAARM Cn1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000237713729 222910006 /nfs/dbraw/zinc/91/00/06/222910006.db2.gz XOUMIOPUKIEJOX-ZDUSSCGKSA-N -1 0 356.300 2.123 50 0 FEAARM C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@H]1CC[C@H]2C(=O)[O-] ZINC000257349593 223074605 /nfs/dbraw/zinc/07/46/05/223074605.db2.gz PDRJFMGTKZFELS-OCAQVOGJSA-N -1 0 352.471 2.178 50 0 FEAARM CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccccc1C(=O)[O-])[C@H]3C2 ZINC000072099234 541783593 /nfs/dbraw/zinc/78/35/93/541783593.db2.gz UJCSAJNSMWSFHF-MIUNTBIASA-N -1 0 363.435 2.365 50 0 FEAARM COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[nH][n-]3)C2)cc1C ZINC000072152431 541789445 /nfs/dbraw/zinc/78/94/45/541789445.db2.gz IWDLHNSNOZIOOZ-ZDUSSCGKSA-N -1 0 357.410 2.476 50 0 FEAARM CO[C@@H](C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1)c1ccccc1 ZINC000072412103 541807598 /nfs/dbraw/zinc/80/75/98/541807598.db2.gz GXUPMAJBDUFOPH-GOSISDBHSA-N -1 0 357.410 2.020 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(c1nc3ccccc3cc1CO)C2 ZINC000072424291 541810194 /nfs/dbraw/zinc/81/01/94/541810194.db2.gz HJXPEWYIOSGQLF-UHFFFAOYSA-N -1 0 366.421 2.351 50 0 FEAARM Cc1ccccc1SCC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072463714 541817742 /nfs/dbraw/zinc/81/77/42/541817742.db2.gz XRNWYQZLZRBUFJ-UHFFFAOYSA-N -1 0 359.451 2.343 50 0 FEAARM Cc1ncc(C(=O)N2CCC(Oc3ccc(F)cc3)(C(=O)[O-])CC2)cn1 ZINC000072473624 541818366 /nfs/dbraw/zinc/81/83/66/541818366.db2.gz GSALVPYIILIVSL-UHFFFAOYSA-N -1 0 359.357 2.063 50 0 FEAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 ZINC000072473550 541818759 /nfs/dbraw/zinc/81/87/59/541818759.db2.gz GLYUCIJEWVBJLW-OAHLLOKOSA-N -1 0 357.410 2.277 50 0 FEAARM Cn1c(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)cc2ccccc21 ZINC000072448055 541816199 /nfs/dbraw/zinc/81/61/99/541816199.db2.gz SWEIKCDJMZFJKV-UHFFFAOYSA-N -1 0 352.394 2.091 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)NCc2ccccc2C)CC1 ZINC000072457508 541816445 /nfs/dbraw/zinc/81/64/45/541816445.db2.gz LZIDLGAYWNXJQK-UHFFFAOYSA-N -1 0 356.426 2.285 50 0 FEAARM COC(=O)c1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783154 211782896 /nfs/dbraw/zinc/78/28/96/211782896.db2.gz NNTHNYWEGRFKQF-AAEUAGOBSA-N -1 0 365.382 2.315 50 0 FEAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)N1CCCC1 ZINC000016848316 220195687 /nfs/dbraw/zinc/19/56/87/220195687.db2.gz UUHPYRFXCACDFA-UHFFFAOYSA-N -1 0 365.480 2.499 50 0 FEAARM O=C([O-])CN1CCC[C@H]1c1ccc(C(=O)NCc2[nH]nc3c2CCC3)s1 ZINC000023153392 211377285 /nfs/dbraw/zinc/37/72/85/211377285.db2.gz QCJIVJVHVLRLCG-AWEZNQCLSA-N -1 0 374.466 2.111 50 0 FEAARM COCCN1CNc2c(c(=O)[n-]c(=S)n2-c2ccccc2Cl)C1 ZINC000020227708 211274079 /nfs/dbraw/zinc/27/40/79/211274079.db2.gz DHYCGBDCAGCAEL-UHFFFAOYSA-N -1 0 352.847 2.380 50 0 FEAARM CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)OC)C1 ZINC000017073452 211177657 /nfs/dbraw/zinc/17/76/57/211177657.db2.gz MPZLABOTALXCDG-SECBINFHSA-N -1 0 355.412 2.089 50 0 FEAARM O=C([O-])Cc1csc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 ZINC000013407166 211032614 /nfs/dbraw/zinc/03/26/14/211032614.db2.gz XYAAJWAVYRSCGL-UHFFFAOYSA-N -1 0 359.407 2.078 50 0 FEAARM COC(=O)CC(=Nc1ccccc1C(=O)[O-])C(=O)NCc1ccccc1 ZINC000012324642 210944153 /nfs/dbraw/zinc/94/41/53/210944153.db2.gz CYDCPIZPVOMMNY-LFIBNONCSA-N -1 0 354.362 2.170 50 0 FEAARM O=C([O-])CCCCCNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1 ZINC000008606800 210792405 /nfs/dbraw/zinc/79/24/05/210792405.db2.gz AZKHPPMTYXHBSH-UHFFFAOYSA-N -1 0 355.398 2.225 50 0 FEAARM Cc1c(OCC(=O)NCCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002417705 210398480 /nfs/dbraw/zinc/39/84/80/210398480.db2.gz DHNUZAUVGLPVEC-UHFFFAOYSA-N -1 0 373.405 2.340 50 0 FEAARM Cn1c2cn(CC(=O)[O-])c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002400608 210396989 /nfs/dbraw/zinc/39/69/89/210396989.db2.gz RUFUXODBWWMWPR-UHFFFAOYSA-N -1 0 369.421 2.088 50 0 FEAARM Cc1c(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002410371 210396446 /nfs/dbraw/zinc/39/64/46/210396446.db2.gz KDDMDNCRJZYLLE-LBPRGKRZSA-N -1 0 373.405 2.338 50 0 FEAARM O=C(C[C@H](C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1 ZINC000002383315 210395619 /nfs/dbraw/zinc/39/56/19/210395619.db2.gz QPSVFNQMURAADJ-CQSZACIVSA-N -1 0 362.444 2.385 50 0 FEAARM O=C([O-])CCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002097508 210380735 /nfs/dbraw/zinc/38/07/35/210380735.db2.gz PJOGIXPQIREQTD-VKAVYKQESA-N -1 0 352.390 2.439 50 0 FEAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)[O-])ccc12 ZINC000002097299 210380625 /nfs/dbraw/zinc/38/06/25/210380625.db2.gz XKTMZCHHJCAZCF-UHFFFAOYSA-N -1 0 361.394 2.414 50 0 biogenic FEAARM COc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC000001744410 210368265 /nfs/dbraw/zinc/36/82/65/210368265.db2.gz CPBYFUUAVFCXLV-ZDUSSCGKSA-N -1 0 358.375 2.213 50 0 FEAARM O=C([N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccs1 ZINC000010251844 210344747 /nfs/dbraw/zinc/34/47/47/210344747.db2.gz CXENICCTBHRVCC-UHFFFAOYSA-N -1 0 355.354 2.167 50 0 FEAARM COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc1 ZINC000001139895 210324385 /nfs/dbraw/zinc/32/43/85/210324385.db2.gz HABLQDBANOULRY-UHFFFAOYSA-N -1 0 368.345 2.018 50 0 FEAARM COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1 ZINC000000931787 210290320 /nfs/dbraw/zinc/29/03/20/210290320.db2.gz VCCFPBSDVCDUCL-HNNXBMFYSA-N -1 0 367.409 2.490 50 0 FEAARM CCN1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1 ZINC000022031230 220374773 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O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000262961145 549866095 /nfs/dbraw/zinc/86/60/95/549866095.db2.gz KDZBVBJCZHOSCX-LBPRGKRZSA-N -1 0 352.799 2.389 50 0 FEAARM O=C([O-])CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CCCO1 ZINC000263260652 549890302 /nfs/dbraw/zinc/89/03/02/549890302.db2.gz WJCDOROPTNLLAL-CYBMUJFWSA-N -1 0 356.216 2.431 50 0 FEAARM CS(=O)(=O)N[C@H]1CCCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1 ZINC000333838306 554648557 /nfs/dbraw/zinc/64/85/57/554648557.db2.gz KQXZJPKJNIDRGC-STQMWFEESA-N -1 0 358.533 2.138 50 0 FEAARM O=C([O-])c1ccc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000408526025 558685656 /nfs/dbraw/zinc/68/56/56/558685656.db2.gz STDMQMBFUZJTFU-UHFFFAOYSA-N -1 0 354.362 2.078 50 0 FEAARM C/C=C\c1ccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)c(OC)c1 ZINC000532005364 562463812 /nfs/dbraw/zinc/46/38/12/562463812.db2.gz YMZJQQORJVILDQ-ARJAWSKDSA-N -1 0 363.410 2.199 50 0 FEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000534649399 562539142 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50 0 FEAARM CC(=O)Oc1cc([O-])c(I)c2oc(C)cc(=O)c12 ZINC000000692272 210262618 /nfs/dbraw/zinc/26/26/18/210262618.db2.gz CRWJSWDROVSXLN-UHFFFAOYSA-N -1 0 360.103 2.337 50 0 FEAARM CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000000597119 210250076 /nfs/dbraw/zinc/25/00/76/210250076.db2.gz QMLVECGLEOSESV-VXGBXAGGSA-N -1 0 357.385 2.066 50 0 in-vitro FEAARM O=C([O-])c1cccc(NC(=O)c2cc3ncc(Br)cn3n2)c1 ZINC000002793237 539354156 /nfs/dbraw/zinc/35/41/56/539354156.db2.gz VKJCRTNYIDWCFN-UHFFFAOYSA-N -1 0 361.155 2.442 50 0 FEAARM CCn1ncc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)OC)c1C ZINC000002808483 539355038 /nfs/dbraw/zinc/35/50/38/539355038.db2.gz ITUGJMMPBYJTRG-UHFFFAOYSA-N -1 0 357.457 2.477 50 0 FEAARM COc1ccccc1NC(=O)c1sc2[nH]c(=O)c(C(=O)[O-])cc2c1N ZINC000003894940 539374617 /nfs/dbraw/zinc/37/46/17/539374617.db2.gz AMBQALGSDOMMJH-UHFFFAOYSA-N -1 0 359.363 2.131 50 0 FEAARM C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000004024858 539375165 /nfs/dbraw/zinc/37/51/65/539375165.db2.gz WLUKXZBJOJXVNO-GFCCVEGCSA-N -1 0 367.357 2.428 50 0 biogenic FEAARM COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c([O-])cc(C)oc1=O ZINC000218128416 210174150 /nfs/dbraw/zinc/17/41/50/210174150.db2.gz XTVKITPRBQNZNE-LBPRGKRZSA-N -1 0 355.346 2.190 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000004324732 539382232 /nfs/dbraw/zinc/38/22/32/539382232.db2.gz LWCWZUMWSAOUGJ-UHFFFAOYSA-N -1 0 373.478 2.211 50 0 FEAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1OC ZINC000004567564 539388348 /nfs/dbraw/zinc/38/83/48/539388348.db2.gz ZWJPEMLXLNYGKJ-FPLPWBNLSA-N -1 0 369.439 2.366 50 0 FEAARM COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc(C(=O)OC)c1 ZINC000004892223 539394653 /nfs/dbraw/zinc/39/46/53/539394653.db2.gz PFHDZKMDHUVIMA-KBPBESRZSA-N -1 0 363.366 2.089 50 0 FEAARM COc1ccc(-n2nnnc2SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000006038956 539421202 /nfs/dbraw/zinc/42/12/02/539421202.db2.gz QICMOPZEHJZRAG-UHFFFAOYSA-N -1 0 372.435 2.261 50 0 FEAARM CCn1ncc(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c1C ZINC000006700060 539434790 /nfs/dbraw/zinc/43/47/90/539434790.db2.gz ILXZWNOYFCFNCO-UHFFFAOYSA-N -1 0 355.416 2.038 50 0 FEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1 ZINC000004763491 210105482 /nfs/dbraw/zinc/10/54/82/210105482.db2.gz RYABDRSDEFBXIE-QGZVFWFLSA-N -1 0 370.405 2.115 50 0 FEAARM COCCn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C ZINC000012408175 539558564 /nfs/dbraw/zinc/55/85/64/539558564.db2.gz DZZMPHSMSHYKKR-UHFFFAOYSA-N -1 0 356.407 2.409 50 0 FEAARM O=C(CCOc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)[O-])C2 ZINC000299795525 210035001 /nfs/dbraw/zinc/03/50/01/210035001.db2.gz LFWACEDBXRKNKL-JTQLQIEISA-N -1 0 360.391 2.380 50 0 FEAARM C[C@H](SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000012813867 539575627 /nfs/dbraw/zinc/57/56/27/539575627.db2.gz IGQUVCLTMUCYKD-WCQYABFASA-N -1 0 351.424 2.328 50 0 FEAARM CC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020289879 539673332 /nfs/dbraw/zinc/67/33/32/539673332.db2.gz SAKDREZAERTDNH-DTQAZKPQSA-N -1 0 350.378 2.037 50 0 FEAARM O=C([O-])CN1C(=O)c2cccc3c2c1ccc3I ZINC000000944732 219344780 /nfs/dbraw/zinc/34/47/80/219344780.db2.gz XEZVENLDAXUPRJ-UHFFFAOYSA-N -1 0 353.115 2.489 50 0 FEAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nnc(C)s1 ZINC000028248413 539828861 /nfs/dbraw/zinc/82/88/61/539828861.db2.gz NYBHZPUBADZYTH-UHFFFAOYSA-N -1 0 356.429 2.004 50 0 FEAARM CN(CCCNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000030013837 539873024 /nfs/dbraw/zinc/87/30/24/539873024.db2.gz XYMMRRXEYJRZSE-UHFFFAOYSA-N -1 0 361.467 2.314 50 0 FEAARM O=C([O-])C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 ZINC000035587877 539983371 /nfs/dbraw/zinc/98/33/71/539983371.db2.gz ZMGOTCOTABWBMY-SNVBAGLBSA-N -1 0 362.798 2.357 50 0 FEAARM NC(=O)CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000036397964 539990579 /nfs/dbraw/zinc/99/05/79/539990579.db2.gz LWLXMYVHUGSXDX-UHFFFAOYSA-N -1 0 354.815 2.395 50 0 FEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000002150047 219429921 /nfs/dbraw/zinc/42/99/21/219429921.db2.gz GOILRTDZZMUPNT-UHFFFAOYSA-N -1 0 361.422 2.184 50 0 FEAARM COc1cccc2c1ccn2CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040313093 540009351 /nfs/dbraw/zinc/00/93/51/540009351.db2.gz LISDCLCHWXFYID-INIZCTEOSA-N -1 0 352.390 2.462 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000238193398 222914476 /nfs/dbraw/zinc/91/44/76/222914476.db2.gz HFIYKMMOPUIIOK-SNVBAGLBSA-N -1 0 362.245 2.145 50 0 FEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC000237726850 222909323 /nfs/dbraw/zinc/90/93/23/222909323.db2.gz GEPSXSGIKMVSHI-UHFFFAOYSA-N -1 0 352.753 2.057 50 0 FEAARM CCOC(=O)c1csc(=NC(=O)C2(c3ccccc3)CCOCC2)[n-]1 ZINC000041758876 540031752 /nfs/dbraw/zinc/03/17/52/540031752.db2.gz CZXDNBLNMOZOJX-UHFFFAOYSA-N -1 0 360.435 3.007 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)cc2c1OCCO2 ZINC000057115678 540769328 /nfs/dbraw/zinc/76/93/28/540769328.db2.gz KCBRUUYWWCRRJE-UHFFFAOYSA-N -1 0 353.327 2.096 50 0 FEAARM Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000063879151 212036197 /nfs/dbraw/zinc/03/61/97/212036197.db2.gz YCOJJTWVXWJAHC-UHFFFAOYSA-N -1 0 367.354 2.404 50 0 FEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000072409133 541806332 /nfs/dbraw/zinc/80/63/32/541806332.db2.gz ONHDCHGOVGXHAX-UHFFFAOYSA-N -1 0 352.394 2.389 50 0 FEAARM CO[C@H](C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1)c1ccccc1 ZINC000072412102 541807349 /nfs/dbraw/zinc/80/73/49/541807349.db2.gz GXUPMAJBDUFOPH-SFHVURJKSA-N -1 0 357.410 2.020 50 0 FEAARM Cc1ocnc1C(=O)N1CCC(Oc2ccc(C)nc2C)(C(=O)[O-])CC1 ZINC000072470685 541818844 /nfs/dbraw/zinc/81/88/44/541818844.db2.gz KELPZHZPSYSKBQ-UHFFFAOYSA-N -1 0 359.382 2.133 50 0 FEAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000058494946 212012574 /nfs/dbraw/zinc/01/25/74/212012574.db2.gz FLHLTEBOLIRBTI-UHFFFAOYSA-N -1 0 351.355 2.284 50 0 FEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000013420399 220066919 /nfs/dbraw/zinc/06/69/19/220066919.db2.gz FTLWLWDHGYUUOJ-CQSZACIVSA-N -1 0 357.362 2.412 50 0 FEAARM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 ZINC000299740910 211811250 /nfs/dbraw/zinc/81/12/50/211811250.db2.gz CCKZPNRISSZAIQ-AWEZNQCLSA-N -1 0 358.325 2.102 50 0 FEAARM CCCCn1c2nc(-c3ccn(CC)n3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615957 211291291 /nfs/dbraw/zinc/29/12/91/211291291.db2.gz PQVONGFUXNUSQZ-UHFFFAOYSA-N -1 0 373.438 2.462 50 0 FEAARM Cc1cc(C(=O)NC2CCC(C(C)(C)C)CC2)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000020607264 211289421 /nfs/dbraw/zinc/28/94/21/211289421.db2.gz RPAMSUMGZDOYLI-UHFFFAOYSA-N -1 0 358.442 2.255 50 0 FEAARM C[C@@H](c1ccccc1)n1c([O-])c([C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000017028468 211175087 /nfs/dbraw/zinc/17/50/87/211175087.db2.gz KEIJMPNOOHGZSA-MEDUHNTESA-N -1 0 364.357 2.111 50 0 FEAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000016099449 211155034 /nfs/dbraw/zinc/15/50/34/211155034.db2.gz YWZIXKANBPWTPY-UHFFFAOYSA-N -1 0 364.379 2.183 50 0 FEAARM COc1ccc(-c2n[n-]c(NCc3ccc4c(c3)OCO4)nc2=O)cc1 ZINC000016048500 211154079 /nfs/dbraw/zinc/15/40/79/211154079.db2.gz AEGFFQQQCOVXQC-UHFFFAOYSA-N -1 0 352.350 2.181 50 0 FEAARM Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)[O-])S3)n1 ZINC000013013825 211021407 /nfs/dbraw/zinc/02/14/07/211021407.db2.gz LCADZEIPAVWYOX-CYBMUJFWSA-N -1 0 368.422 2.282 50 0 FEAARM Cc1ccc(C(=O)[O-])c(OCC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000013035452 211020990 /nfs/dbraw/zinc/02/09/90/211020990.db2.gz XMNRIZKVMWCOKT-CYBMUJFWSA-N -1 0 357.362 2.028 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000008772602 210804268 /nfs/dbraw/zinc/80/42/68/210804268.db2.gz JFPBWGJBEBNYHA-UHFFFAOYSA-N -1 0 374.418 2.323 50 0 FEAARM COc1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000004675623 210550865 /nfs/dbraw/zinc/55/08/65/210550865.db2.gz DNAPZODRSUOJNA-UHFFFAOYSA-N -1 0 361.350 2.428 50 0 FEAARM CCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002087359 210379479 /nfs/dbraw/zinc/37/94/79/210379479.db2.gz AAAPEXAGBQZUNL-UHFFFAOYSA-N -1 0 361.394 2.495 50 0 biogenic FEAARM CCNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000058105242 221098066 /nfs/dbraw/zinc/09/80/66/221098066.db2.gz AMCNCNYCIQPMIP-JTQLQIEISA-N -1 0 355.232 2.143 50 0 FEAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC(=O)N(C)C3)n2)c1 ZINC000079054359 542496167 /nfs/dbraw/zinc/49/61/67/542496167.db2.gz IYEHCFZPXGRWCS-CQSZACIVSA-N -1 0 356.426 2.052 50 0 FEAARM COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1 ZINC000067192630 221249055 /nfs/dbraw/zinc/24/90/55/221249055.db2.gz PSFYLRHAWBFTLO-CYBMUJFWSA-N -1 0 354.362 2.385 50 0 FEAARM Cc1c([C@H]2c3[nH]cnc3CCN2Cc2ccc(O)c(C(=O)[O-])c2)cnn1C ZINC000067739736 221279373 /nfs/dbraw/zinc/27/93/73/221279373.db2.gz VXTAOXSESWMBOE-SFHVURJKSA-N -1 0 367.409 2.003 50 0 FEAARM CCCC(=O)Nc1cccc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c1 ZINC000067872927 221299801 /nfs/dbraw/zinc/29/98/01/221299801.db2.gz ZIEVABRSWFXUJQ-INIZCTEOSA-N -1 0 358.398 2.321 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1C ZINC000069343178 221324014 /nfs/dbraw/zinc/32/40/14/221324014.db2.gz PWDUAUVWWGAAGG-HUUCEWRRSA-N -1 0 355.456 2.083 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCCO2)c(C)c1 ZINC000069343166 221324102 /nfs/dbraw/zinc/32/41/02/221324102.db2.gz YAEHVMJHRDFKLS-GJZGRUSLSA-N -1 0 355.456 2.083 50 0 FEAARM CC(C)c1nc(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)n[nH]1 ZINC000071284970 221339205 /nfs/dbraw/zinc/33/92/05/221339205.db2.gz SFGVFIRJQHDUMJ-UHFFFAOYSA-N -1 0 352.354 2.336 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000071285228 221339430 /nfs/dbraw/zinc/33/94/30/221339430.db2.gz DNQWSHVYJPVIHU-UHFFFAOYSA-N -1 0 363.333 2.074 50 0 FEAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@H]3COc4ccccc4O3)n2)c1 ZINC000072412024 221504752 /nfs/dbraw/zinc/50/47/52/221504752.db2.gz PUMSXOVKCBJJAS-ZDUSSCGKSA-N -1 0 364.361 2.489 50 0 FEAARM Cc1cc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)nc2ccccc12 ZINC000095383768 132209773 /nfs/dbraw/zinc/20/97/73/132209773.db2.gz CAZGECCKMYHHMG-HNNXBMFYSA-N -1 0 353.422 2.445 50 0 FEAARM Cc1cc(C)n2ncc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c2n1 ZINC000091381920 542806469 /nfs/dbraw/zinc/80/64/69/542806469.db2.gz OKQPQJZUNGGSOP-DLBZAZTESA-N -1 0 364.405 2.287 50 0 FEAARM COc1ccccc1[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C(=O)[O-] ZINC000091325960 542804679 /nfs/dbraw/zinc/80/46/79/542804679.db2.gz RXEAZCOZWKMFEL-DLBZAZTESA-N -1 0 354.406 2.350 50 0 FEAARM Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)cc1 ZINC000091656439 542818088 /nfs/dbraw/zinc/81/80/88/542818088.db2.gz JZACBNQGOKBJJU-HNNXBMFYSA-N -1 0 358.438 2.313 50 0 FEAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000091907126 542832002 /nfs/dbraw/zinc/83/20/02/542832002.db2.gz VKWMBMPVWHFWOR-DLBZAZTESA-N -1 0 370.449 2.106 50 0 FEAARM COc1cc2c(cc1Cn1cc(-c3ccccc3C(=O)[O-])nn1)OCCO2 ZINC000095374382 542963383 /nfs/dbraw/zinc/96/33/83/542963383.db2.gz BVJRZPFQEDZASI-UHFFFAOYSA-N -1 0 367.361 2.471 50 0 FEAARM CCc1cc(N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)nc(C)n1 ZINC000072146435 136142645 /nfs/dbraw/zinc/14/26/45/136142645.db2.gz ASZJSEYYHYAPKP-MRXNPFEDSA-N -1 0 372.469 2.030 50 0 FEAARM CC(C)Oc1cccc(F)c1[C@H](C(=O)[O-])N(C)CCN1CCOCC1 ZINC000095378401 542964473 /nfs/dbraw/zinc/96/44/73/542964473.db2.gz GLRUGBPSLICODI-QGZVFWFLSA-N -1 0 354.422 2.003 50 0 FEAARM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)C[C@H](C)O1 ZINC000095390027 542967872 /nfs/dbraw/zinc/96/78/72/542967872.db2.gz ZZENENKNUPRGAA-SCRDCRAPSA-N -1 0 354.397 2.384 50 0 FEAARM Cc1nn(C)c(C)c1[C@H](C(=O)[O-])N1CCN(c2nc3ccccc3o2)CC1 ZINC000095390097 542968479 /nfs/dbraw/zinc/96/84/79/542968479.db2.gz LCFCHKDYWLJLFH-QGZVFWFLSA-N -1 0 369.425 2.126 50 0 FEAARM CC(C)(C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1)N1CCOCC1 ZINC000095391008 542968557 /nfs/dbraw/zinc/96/85/57/542968557.db2.gz NOLQORULWPXNCF-KRWDZBQOSA-N -1 0 360.454 2.202 50 0 FEAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(Cc3noc(C(C)C)n3)C[C@H]21 ZINC000095508807 542977098 /nfs/dbraw/zinc/97/70/98/542977098.db2.gz XTEJUUXLOZNZKK-BFUOFWGJSA-N -1 0 373.409 2.264 50 0 FEAARM Cc1ccc(C[C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)C(=O)[O-])cc1 ZINC000095970688 542984487 /nfs/dbraw/zinc/98/44/87/542984487.db2.gz VSEPVZYLUCTTFB-KRWDZBQOSA-N -1 0 364.405 2.249 50 0 FEAARM Cc1c(Cl)cccc1NC(=O)C(=O)c1c(N)[n-]n(-c2ccccc2)c1=O ZINC000108630580 543298720 /nfs/dbraw/zinc/29/87/20/543298720.db2.gz QVDMFCYLCIMXBA-CQSZACIVSA-N -1 0 370.796 2.091 50 0 FEAARM CO[C@H](C)c1nc(CC(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)cs1 ZINC000131108380 544177186 /nfs/dbraw/zinc/17/71/86/544177186.db2.gz RLPAUQGMZQEGAS-SNVBAGLBSA-N -1 0 372.443 2.346 50 0 FEAARM CC(=O)c1ccc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)s1 ZINC000072475682 221549357 /nfs/dbraw/zinc/54/93/57/221549357.db2.gz XYQFHTJTVIDFKG-UHFFFAOYSA-N -1 0 361.423 2.211 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1c1ccccn1 ZINC000091974069 221819687 /nfs/dbraw/zinc/81/96/87/221819687.db2.gz GGPKGNDBKLZJFC-HZPDHXFCSA-N -1 0 351.406 2.296 50 0 FEAARM CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)[O-])C2)c1C ZINC000092107227 221839882 /nfs/dbraw/zinc/83/98/82/221839882.db2.gz DKDRAIVDRDZROR-LSDHHAIUSA-N -1 0 357.410 2.230 50 0 FEAARM O=C([O-])c1cc2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2s1 ZINC000095425103 221901738 /nfs/dbraw/zinc/90/17/38/221901738.db2.gz SRTKMUAWDFBPGM-UHFFFAOYSA-N -1 0 373.346 2.308 50 0 FEAARM COCCN(Cc1ccco1)C(=O)c1ccc(OC)c(OCC(=O)[O-])c1 ZINC000095424309 221902157 /nfs/dbraw/zinc/90/21/57/221902157.db2.gz RLKKJZFBGMCXGX-UHFFFAOYSA-N -1 0 363.366 2.040 50 0 FEAARM Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)[O-])c3c(C)n[nH]c3C)[nH]n2)s1 ZINC000095525017 221952383 /nfs/dbraw/zinc/95/23/83/221952383.db2.gz LMXVJVPNHIHVTC-CQSZACIVSA-N -1 0 359.411 2.342 50 0 FEAARM Cc1n[nH]c(C)c1Cc1nc(COc2ccc(F)cc2)nn1CC(=O)[O-] ZINC000097805762 222214432 /nfs/dbraw/zinc/21/44/32/222214432.db2.gz LEMGLUURAAZQTR-UHFFFAOYSA-N -1 0 359.361 2.012 50 0 FEAARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc3c(c2)CCO3)c1 ZINC000098042603 222222857 /nfs/dbraw/zinc/22/28/57/222222857.db2.gz YNDUCZWJXXUNJF-VURMDHGXSA-N -1 0 371.414 2.342 50 0 FEAARM Cc1cc2ncc(C(=O)N3CCC[C@@H](c4nccn4C(C)C)C3)c(=O)n2[n-]1 ZINC000102361859 222295462 /nfs/dbraw/zinc/29/54/62/222295462.db2.gz CFEHYTRUAYNWLU-CQSZACIVSA-N -1 0 368.441 2.128 50 0 FEAARM CC(C)c1nn(C)c2sc(C(=O)N(CC(=O)[O-])C3CCOCC3)cc12 ZINC000236623448 328490123 /nfs/dbraw/zinc/49/01/23/328490123.db2.gz UEOJUELUINVMOJ-UHFFFAOYSA-N -1 0 365.455 2.464 50 0 FEAARM CCc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1S(N)(=O)=O ZINC000123004994 326416764 /nfs/dbraw/zinc/41/67/64/326416764.db2.gz HNDAQYWTQRVCCJ-UHFFFAOYSA-N -1 0 374.509 2.376 50 0 FEAARM CNC(=O)c1cccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000263302286 328931602 /nfs/dbraw/zinc/93/16/02/328931602.db2.gz ZRZKCALPLONUQO-QGZVFWFLSA-N -1 0 372.396 2.450 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236687299 519683112 /nfs/dbraw/zinc/68/31/12/519683112.db2.gz GHTFBYOFITZVOA-ZFWWWQNUSA-N -1 0 352.818 2.231 50 0 FEAARM C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1cc(=O)[n-]o1 ZINC000082138338 525067927 /nfs/dbraw/zinc/06/79/27/525067927.db2.gz IFNMZCKOWKHZGV-LLVKDONJSA-N -1 0 363.801 2.230 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000237601076 525363758 /nfs/dbraw/zinc/36/37/58/525363758.db2.gz DYAZUSRBUPCUKF-RHSMWYFYSA-N -1 0 358.438 2.418 50 0 FEAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000262194593 525575191 /nfs/dbraw/zinc/57/51/91/525575191.db2.gz ZCGDGIXJAACEFM-OAHLLOKOSA-N -1 0 358.398 2.052 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCO1 ZINC000262710008 527630262 /nfs/dbraw/zinc/63/02/62/527630262.db2.gz FEWAQQKHIADIAV-LLVKDONJSA-N -1 0 372.299 2.382 50 0 FEAARM CCc1nc(-c2ccccc2[N-]S(=O)(=O)C[C@H]2CCCCO2)n[nH]1 ZINC000159275901 545938440 /nfs/dbraw/zinc/93/84/40/545938440.db2.gz MCCDFDLBEGQEFU-GFCCVEGCSA-N -1 0 350.444 2.345 50 0 FEAARM CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000170644442 546168025 /nfs/dbraw/zinc/16/80/25/546168025.db2.gz OEQSJQIQMFJYJT-VOJFVSQTSA-N -1 0 363.483 2.232 50 0 FEAARM COc1ccc2c(CC(=O)N(CCC(=O)[O-])C3CCOCC3)coc2c1 ZINC000170671915 546169942 /nfs/dbraw/zinc/16/99/42/546169942.db2.gz WCODCPQQJXCHJM-UHFFFAOYSA-N -1 0 361.394 2.466 50 0 FEAARM Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000215794159 548675145 /nfs/dbraw/zinc/67/51/45/548675145.db2.gz LGPXHFKGVJKHJF-CQSZACIVSA-N -1 0 351.410 2.054 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)Cc2cc3c(cc2Cl)OCCO3)o1 ZINC000221155513 548702728 /nfs/dbraw/zinc/70/27/28/548702728.db2.gz AIULBWLDWIXTCT-UHFFFAOYSA-N -1 0 351.742 2.261 50 0 FEAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1Cl ZINC000225386307 548732816 /nfs/dbraw/zinc/73/28/16/548732816.db2.gz XXOVYKODKRECIN-UHFFFAOYSA-N -1 0 374.209 2.241 50 0 FEAARM FC(F)(F)COc1cccc(CN2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC000225409814 548734168 /nfs/dbraw/zinc/73/41/68/548734168.db2.gz WBPOMDCVDVLXPP-GFCCVEGCSA-N -1 0 359.377 2.431 50 0 FEAARM Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 ZINC000225666011 548740007 /nfs/dbraw/zinc/74/00/07/548740007.db2.gz ZIQHRDMCFRRKQX-UHFFFAOYSA-N -1 0 370.228 2.052 50 0 FEAARM C[NH+](C)CCN(CC(=O)[O-])C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 ZINC000237115821 548801125 /nfs/dbraw/zinc/80/11/25/548801125.db2.gz MNBHTCQYNXKBSL-ZZXKWVIFSA-N -1 0 364.829 2.147 50 0 FEAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1-c1cccc(Cl)c1 ZINC000237760320 548851127 /nfs/dbraw/zinc/85/11/27/548851127.db2.gz UVTVITDZDRXTLH-AWEZNQCLSA-N -1 0 363.801 2.150 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000237939923 548865945 /nfs/dbraw/zinc/86/59/45/548865945.db2.gz AEFJWQBIYQVSEJ-FUHWJXTLSA-N -1 0 368.364 2.423 50 0 FEAARM O=C([O-])CCN(C(=O)Cc1cccc(Br)c1)C1CCOCC1 ZINC000238065716 548875570 /nfs/dbraw/zinc/87/55/70/548875570.db2.gz LYXIJFDDZAIYDD-UHFFFAOYSA-N -1 0 370.243 2.474 50 0 FEAARM Cc1oc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000263001386 549870200 /nfs/dbraw/zinc/87/02/00/549870200.db2.gz PVYQLAXXOZGLSW-GJZGRUSLSA-N -1 0 357.362 2.477 50 0 FEAARM CN(c1ccn(C)n1)S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000282232254 551198738 /nfs/dbraw/zinc/19/87/38/551198738.db2.gz PDQIJXYMRVGCKD-UHFFFAOYSA-N -1 0 357.457 2.302 50 0 FEAARM COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC000299752667 553610242 /nfs/dbraw/zinc/61/02/42/553610242.db2.gz UXLGCXRCBKFXTA-CQSZACIVSA-N -1 0 371.389 2.270 50 0 FEAARM COc1ccc(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1C(=O)[O-] ZINC000299750638 553610335 /nfs/dbraw/zinc/61/03/35/553610335.db2.gz OELXDUHWDQCTOM-JTQLQIEISA-N -1 0 370.361 2.043 50 0 FEAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(C)no1)CC2 ZINC000299746340 553610487 /nfs/dbraw/zinc/61/04/87/553610487.db2.gz WSHTYIAATWLNAF-ZDUSSCGKSA-N -1 0 360.366 2.215 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000299745513 553610522 /nfs/dbraw/zinc/61/05/22/553610522.db2.gz ZUXCDCPUXSXBLQ-KOLCDFICSA-N -1 0 371.220 2.279 50 0 FEAARM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN=c1nc(C2CCCC2)[n-]s1 ZINC000333838301 554647936 /nfs/dbraw/zinc/64/79/36/554647936.db2.gz KQXZJPKJNIDRGC-CHWSQXEVSA-N -1 0 358.533 2.138 50 0 FEAARM COc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1OCc1c(C)noc1C ZINC000408513522 558685857 /nfs/dbraw/zinc/68/58/57/558685857.db2.gz QJPCDJCMUMSWEE-AWEZNQCLSA-N -1 0 374.393 2.426 50 0 FEAARM Cc1nc(CC2CCN(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)no1 ZINC000426531562 559736978 /nfs/dbraw/zinc/73/69/78/559736978.db2.gz IDMCPHGRLBJTQZ-INIZCTEOSA-N -1 0 372.425 2.038 50 0 FEAARM CSCC[C@H](NC(=O)N(C)CCc1nc2c(cccc2C)[nH]1)C(=O)[O-] ZINC000426602502 559738713 /nfs/dbraw/zinc/73/87/13/559738713.db2.gz MVRCSUHTTMCODZ-ZDUSSCGKSA-N -1 0 364.471 2.262 50 0 FEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)NCCc3ccccc3F)C2)n1 ZINC000426658180 559739702 /nfs/dbraw/zinc/73/97/02/559739702.db2.gz GJXWJBRCWBUGPE-HNNXBMFYSA-N -1 0 374.416 2.239 50 0 FEAARM O=C([O-])C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000583648249 570812039 /nfs/dbraw/zinc/81/20/39/570812039.db2.gz LFPLDEMEVOWGMC-INIZCTEOSA-N -1 0 355.394 2.091 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1ncc(=O)c2ccccc21 ZINC000583650498 570812067 /nfs/dbraw/zinc/81/20/67/570812067.db2.gz JTLKCUWAVIOKEV-LXZKKBNFSA-N -1 0 369.421 2.031 50 0 FEAARM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000102140176 570827642 /nfs/dbraw/zinc/82/76/42/570827642.db2.gz BPQVFNLLLBFXRI-NSHDSACASA-N -1 0 370.452 2.340 50 0 FEAARM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000115921350 571095023 /nfs/dbraw/zinc/09/50/23/571095023.db2.gz PWVBIHCHYYHBQG-SSDOTTSWSA-N -1 0 370.814 2.387 50 0 FEAARM Nc1nnc([C@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccccc2)s1 ZINC000426397659 571138120 /nfs/dbraw/zinc/13/81/20/571138120.db2.gz WWLGEMVQIOGPKQ-LLVKDONJSA-N -1 0 360.420 2.399 50 0 FEAARM CC(C)c1ccc(CCCNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000570568223 571192242 /nfs/dbraw/zinc/19/22/42/571192242.db2.gz NNEPCAPTILGJLQ-KRWDZBQOSA-N -1 0 368.499 2.374 50 0 FEAARM Cc1cc(-c2cccc(C(=O)N[C@@H]3CCN(C)C3=O)c2)nc(C)c1C(=O)[O-] ZINC000584897159 571315598 /nfs/dbraw/zinc/31/55/98/571315598.db2.gz QJAINCZUMRVYHY-OAHLLOKOSA-N -1 0 367.405 2.024 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000666536587 604316762 /nfs/dbraw/zinc/31/67/62/604316762.db2.gz BOLLRPOAOMMKFF-MRXNPFEDSA-N -1 0 359.426 2.118 50 0 FEAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2ccccc2Cl)n1 ZINC000001226897 669943529 /nfs/dbraw/zinc/94/35/29/669943529.db2.gz IZGLVVORILJRTP-UHFFFAOYSA-N -1 0 355.807 2.225 50 0 FEAARM COc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)O[C@@H](C)C2 ZINC000089941393 670707926 /nfs/dbraw/zinc/70/79/26/670707926.db2.gz OFPYJUNKNVXQIC-UVDXRHSJSA-N -1 0 365.432 2.304 50 0 FEAARM COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1csc2ccccc21 ZINC000647927325 677308724 /nfs/dbraw/zinc/30/87/24/677308724.db2.gz KATGJKVDSUXWLV-HNNXBMFYSA-N -1 0 355.437 2.156 50 0 FEAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)c1ccc(Cl)c(F)c1 ZINC000649246535 677328184 /nfs/dbraw/zinc/32/81/84/677328184.db2.gz LYXRHCFAGHQJLC-BMIGLBTASA-N -1 0 363.776 2.316 50 0 FEAARM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(Cc2csnn2)C1)C(F)(F)F ZINC000864097008 683801155 /nfs/dbraw/zinc/80/11/55/683801155.db2.gz HZWIEQVBHKTERO-SVRRBLITSA-N -1 0 362.299 2.112 50 0 FEAARM NC(=O)c1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100087486 210243019 /nfs/dbraw/zinc/24/30/19/210243019.db2.gz AVAWRMAJQXEGTG-UHFFFAOYSA-N -1 0 363.373 2.005 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000299744587 210225417 /nfs/dbraw/zinc/22/54/17/210225417.db2.gz SZLAPOIEKGBXGU-CYBMUJFWSA-N -1 0 353.440 2.116 50 0 FEAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000002151850 539345715 /nfs/dbraw/zinc/34/57/15/539345715.db2.gz WRIVCBXNXIDVNO-SFHVURJKSA-N -1 0 361.394 2.268 50 0 biogenic FEAARM CC(C)C[C@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(=O)[O-] ZINC000002889408 539356092 /nfs/dbraw/zinc/35/60/92/539356092.db2.gz NMALASXKVMXDBK-ZDUSSCGKSA-N -1 0 362.407 2.183 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000004196989 539378438 /nfs/dbraw/zinc/37/84/38/539378438.db2.gz NVOGELBWXVWEAA-ULQDDVLXSA-N -1 0 372.421 2.201 50 0 FEAARM NC(=S)NN=c1oc2cc([O-])ccc2cc1-c1nc2ccccc2[nH]1 ZINC000003901378 539374439 /nfs/dbraw/zinc/37/44/39/539374439.db2.gz VLTRLBRCXRHFBH-LTGZKZEYSA-N -1 0 351.391 2.331 50 0 FEAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004459316 539384137 /nfs/dbraw/zinc/38/41/37/539384137.db2.gz LSUOFGACKWWEQF-PNDHZVEESA-N -1 0 370.380 2.115 50 0 biogenic FEAARM COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc(C(=O)OC)c1 ZINC000004892229 539395135 /nfs/dbraw/zinc/39/51/35/539395135.db2.gz PFHDZKMDHUVIMA-UONOGXRCSA-N -1 0 363.366 2.089 50 0 FEAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976755 539397516 /nfs/dbraw/zinc/39/75/16/539397516.db2.gz NNHAHNSYFDBAPJ-JWAFFJSPSA-N -1 0 360.366 2.259 50 0 FEAARM CCc1ccccc1NC(=O)[C@@H](Cc1ccc(O)c(OC)c1)c1nnn[n-]1 ZINC000005445027 539410937 /nfs/dbraw/zinc/41/09/37/539410937.db2.gz DMADQQRPNFRZQK-AWEZNQCLSA-N -1 0 367.409 2.441 50 0 FEAARM COc1cccc(N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])CC2)c1 ZINC000006714081 539435233 /nfs/dbraw/zinc/43/52/33/539435233.db2.gz MGQWSMJSGIBNMU-FUICEZJUSA-N -1 0 372.465 2.481 50 0 FEAARM Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 ZINC000006778373 539437354 /nfs/dbraw/zinc/43/73/54/539437354.db2.gz URYYOSNEOSRLRF-UHFFFAOYSA-N -1 0 364.408 2.493 50 0 FEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000009550321 539503659 /nfs/dbraw/zinc/50/36/59/539503659.db2.gz ZJQSAPMBSBOGDX-MRXNPFEDSA-N -1 0 365.389 2.188 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)no1 ZINC000328594501 210101690 /nfs/dbraw/zinc/10/16/90/210101690.db2.gz OWBRTZXEHLWUBX-UHFFFAOYSA-N -1 0 370.330 2.077 50 0 FEAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011866820 539537638 /nfs/dbraw/zinc/53/76/38/539537638.db2.gz KGRXOVGCSWWERT-BZNIZROVSA-N -1 0 371.389 2.125 50 0 FEAARM CCc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nnn1-c1cccc(Cl)c1 ZINC000136152285 210089694 /nfs/dbraw/zinc/08/96/94/210089694.db2.gz MVULRODGIHGGFS-LLVKDONJSA-N -1 0 362.817 2.420 50 0 FEAARM Cc1ccc(CNC(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)cc1F ZINC000222782208 222749946 /nfs/dbraw/zinc/74/99/46/222749946.db2.gz JPSZYILXCSDOFT-SFHVURJKSA-N -1 0 350.390 2.044 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)c(Br)o1 ZINC000055312858 210068146 /nfs/dbraw/zinc/06/81/46/210068146.db2.gz MQRZCODPUTVHBO-UHFFFAOYSA-N -1 0 352.206 2.351 50 0 FEAARM CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)ccc21 ZINC000012541624 539564675 /nfs/dbraw/zinc/56/46/75/539564675.db2.gz FBWOVKCXCAXZEJ-UHFFFAOYSA-N -1 0 374.418 2.485 50 0 FEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn3ccc(C)cc3n2)c1 ZINC000012785857 539573821 /nfs/dbraw/zinc/57/38/21/539573821.db2.gz ONETZKXLPQLEBL-UHFFFAOYSA-N -1 0 359.407 2.394 50 0 FEAARM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000022688340 539697456 /nfs/dbraw/zinc/69/74/56/539697456.db2.gz JAZFWMUQBAUJDO-UHFFFAOYSA-N -1 0 366.464 2.475 50 0 FEAARM COc1ccccc1CCNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000025057570 539747485 /nfs/dbraw/zinc/74/74/85/539747485.db2.gz GFHUWGOGIOGJJU-UHFFFAOYSA-N -1 0 362.451 2.348 50 0 FEAARM CCc1ccc(CN(C)C(=O)Cc2csc([N-]S(C)(=O)=O)n2)cc1 ZINC000037143307 539995734 /nfs/dbraw/zinc/99/57/34/539995734.db2.gz ZFWBIVVZEVOHES-UHFFFAOYSA-N -1 0 367.496 2.278 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccs1 ZINC000237960632 222912310 /nfs/dbraw/zinc/91/23/10/222912310.db2.gz HAURLNHTLHQEMY-AAEUAGOBSA-N -1 0 350.440 2.171 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000238091135 222913551 /nfs/dbraw/zinc/91/35/51/222913551.db2.gz ZUXCDCPUXSXBLQ-ONGXEEELSA-N -1 0 371.220 2.279 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2cc(Br)cs2)CCO1 ZINC000238194038 222914732 /nfs/dbraw/zinc/91/47/32/222914732.db2.gz ZHKZMPGXNGFOBD-TXXBHVLJSA-N -1 0 360.229 2.226 50 0 FEAARM Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC000237628893 222908484 /nfs/dbraw/zinc/90/84/84/222908484.db2.gz XNUKPZXWQPSFCO-RDJZCZTQSA-N -1 0 358.438 2.451 50 0 FEAARM CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C(=O)[O-])ccc21 ZINC000042122802 540052376 /nfs/dbraw/zinc/05/23/76/540052376.db2.gz MOLQLVIUUASCKD-UHFFFAOYSA-N -1 0 374.418 2.403 50 0 FEAARM O=C(CCc1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042267268 540056550 /nfs/dbraw/zinc/05/65/50/540056550.db2.gz JHSPFGJYOSAODF-UHFFFAOYSA-N -1 0 365.382 2.035 50 0 FEAARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000042314905 540058495 /nfs/dbraw/zinc/05/84/95/540058495.db2.gz WVCHUNRIGRTLGQ-UHFFFAOYSA-N -1 0 369.420 2.052 50 0 FEAARM Cc1c(F)cc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000055615033 540663969 /nfs/dbraw/zinc/66/39/69/540663969.db2.gz XAACLHPVXYNZTG-UHFFFAOYSA-N -1 0 362.304 2.451 50 0 FEAARM COc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000299383905 223077498 /nfs/dbraw/zinc/07/74/98/223077498.db2.gz XLTUPGWPZURJRC-YUTCNCBUSA-N -1 0 361.394 2.324 50 0 FEAARM O=C(/N=c1\[n-]nc2ccccn21)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000058244880 540835956 /nfs/dbraw/zinc/83/59/56/540835956.db2.gz NLUYUMSVMILNKS-AWEZNQCLSA-N -1 0 364.409 2.612 50 0 FEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000072400622 541804919 /nfs/dbraw/zinc/80/49/19/541804919.db2.gz OXNWJINOPZPFMP-SJORKVTESA-N -1 0 373.453 2.406 50 0 FEAARM CCn1ccc(C(=O)N2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)n1 ZINC000072427218 541810937 /nfs/dbraw/zinc/81/09/37/541810937.db2.gz ANAGHQDDTJCCCJ-UHFFFAOYSA-N -1 0 357.410 2.350 50 0 FEAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000072430188 541812385 /nfs/dbraw/zinc/81/23/85/541812385.db2.gz PHSKMDBRSDZEOQ-MRXNPFEDSA-N -1 0 374.412 2.144 50 0 FEAARM COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012630416 220015966 /nfs/dbraw/zinc/01/59/66/220015966.db2.gz BVWIQTKOCNDRKH-UHFFFAOYSA-N -1 0 353.327 2.111 50 0 FEAARM Cn1cc(-c2ncc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])s2)cn1 ZINC000299752985 211837528 /nfs/dbraw/zinc/83/75/28/211837528.db2.gz WIKYQKOCIUKWEP-RTXFEEFZSA-N -1 0 360.439 2.402 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000299751081 211835795 /nfs/dbraw/zinc/83/57/95/211835795.db2.gz PKSOKGLINWJEOF-UNEWFSDZSA-N -1 0 354.406 2.246 50 0 FEAARM COc1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc(OC)c1C ZINC000299753438 211835479 /nfs/dbraw/zinc/83/54/79/211835479.db2.gz YFZNRAVASFQXQX-AWEZNQCLSA-N -1 0 351.399 2.108 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000299752677 211834821 /nfs/dbraw/zinc/83/48/21/211834821.db2.gz UZXWHLRFZIKFRB-INIZCTEOSA-N -1 0 368.418 2.040 50 0 FEAARM Cc1oc(CNC(=O)c2cccc(CN3CCCC3=O)c2)cc1C(=O)[O-] ZINC000299749882 211831901 /nfs/dbraw/zinc/83/19/01/211831901.db2.gz LYGMSDWQRQQSNT-UHFFFAOYSA-N -1 0 356.378 2.339 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000299749011 211829951 /nfs/dbraw/zinc/82/99/51/211829951.db2.gz IWNLPRHRSUAJFO-UHTWSYAYSA-N -1 0 372.343 2.111 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)c1 ZINC000299743925 211823776 /nfs/dbraw/zinc/82/37/76/211823776.db2.gz MSJJLAQUWSKYTN-UHFFFAOYSA-N -1 0 373.796 2.498 50 0 FEAARM O=C(/C=C/c1ccc2c(c1)OCCO2)[N-]S(=O)(=O)c1cccs1 ZINC000042244454 211777574 /nfs/dbraw/zinc/77/75/74/211777574.db2.gz UGRUYZJJCPYINM-GQCTYLIASA-N -1 0 351.405 2.038 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NC3CC3)cs2)cc1 ZINC000016848630 220195284 /nfs/dbraw/zinc/19/52/84/220195284.db2.gz HRVGGSZYGVZIRE-UHFFFAOYSA-N -1 0 365.480 2.464 50 0 FEAARM O=c1c2c3c(sc2[n-]c(=S)n1CCN1CCOCC1)CCCC3 ZINC000017072972 220202586 /nfs/dbraw/zinc/20/25/86/220202586.db2.gz FQQOVMVVXFCMFQ-UHFFFAOYSA-N -1 0 351.497 2.332 50 0 FEAARM CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)c1C ZINC000033365110 211603079 /nfs/dbraw/zinc/60/30/79/211603079.db2.gz JYPUGGUUKYMTAB-KTKRTIGZSA-N -1 0 357.366 2.245 50 0 FEAARM NC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2 ZINC000017074564 211176897 /nfs/dbraw/zinc/17/68/97/211176897.db2.gz UFDQHTGLSXPHPI-MFIKCIHMSA-N -1 0 362.451 2.411 50 0 FEAARM Cc1nnc(SCC(=O)Nc2ccccc2Br)[n-]c1=O ZINC000013452876 211034029 /nfs/dbraw/zinc/03/40/29/211034029.db2.gz AQIZFLNNHZOMJL-UHFFFAOYSA-N -1 0 355.217 2.379 50 0 FEAARM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000013199387 211027897 /nfs/dbraw/zinc/02/78/97/211027897.db2.gz LJQIYGIVMOORON-GFCCVEGCSA-N -1 0 372.406 2.005 50 0 FEAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccccc1OC(F)F ZINC000012903766 211005828 /nfs/dbraw/zinc/00/58/28/211005828.db2.gz VOFPMQUSFZKXME-UHFFFAOYSA-N -1 0 353.325 2.188 50 0 FEAARM Cc1ccc(C)c(OCCCN2[N-]S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008936805 210810019 /nfs/dbraw/zinc/81/00/19/210810019.db2.gz IYJXAUOOLXKEKU-UHFFFAOYSA-N -1 0 360.435 2.422 50 0 FEAARM COc1ccc(CCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1OC ZINC000008908505 210807798 /nfs/dbraw/zinc/80/77/98/210807798.db2.gz QWXWZRRPDGPHNT-UHFFFAOYSA-N -1 0 355.346 2.241 50 0 FEAARM COc1ccccc1OCC(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-] ZINC000004824122 210568462 /nfs/dbraw/zinc/56/84/62/210568462.db2.gz RZYRDKOWWAWSEU-UHFFFAOYSA-N -1 0 359.334 2.336 50 0 FEAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)[O-] ZINC000004096986 210507476 /nfs/dbraw/zinc/50/74/76/210507476.db2.gz KFGOFTHODYBSGM-ZUNNJUQCSA-N -1 0 370.486 2.446 50 0 endogenous,world FEAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000002103727 210380700 /nfs/dbraw/zinc/38/07/00/210380700.db2.gz WBEYFWVIYMHLEU-RYUDHWBXSA-N -1 0 361.394 2.411 50 0 biogenic FEAARM CCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002094845 210379838 /nfs/dbraw/zinc/37/98/38/210379838.db2.gz WJFCNNSNZIFICB-AWEZNQCLSA-N -1 0 361.394 2.467 50 0 biogenic FEAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000002098444 210379522 /nfs/dbraw/zinc/37/95/22/210379522.db2.gz IBMSLYAVFDVEKJ-UHFFFAOYSA-N -1 0 359.378 2.063 50 0 biogenic FEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC000020614933 220336107 /nfs/dbraw/zinc/33/61/07/220336107.db2.gz RUFAJTLSVKNJLL-UHFFFAOYSA-N -1 0 359.773 2.269 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1 ZINC000009572712 210294314 /nfs/dbraw/zinc/29/43/14/210294314.db2.gz NJONRULUWFTSBI-UHFFFAOYSA-N -1 0 362.407 2.024 50 0 FEAARM O=C([O-])c1cn(Cc2cccc(Cl)c2)nc1S(=O)(=O)N1CCCC1 ZINC000065240389 221184276 /nfs/dbraw/zinc/18/42/76/221184276.db2.gz SQDXTWKLERGOMR-UHFFFAOYSA-N -1 0 369.830 2.068 50 0 FEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1 ZINC000065362578 221202643 /nfs/dbraw/zinc/20/26/43/221202643.db2.gz BOTATTRLEMDJKX-UHFFFAOYSA-N -1 0 352.387 2.337 50 0 FEAARM CC(C)Oc1cccc(C(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC000065372922 221205064 /nfs/dbraw/zinc/20/50/64/221205064.db2.gz IGNKIYNOUQMUAM-CQSZACIVSA-N -1 0 372.425 2.316 50 0 FEAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)cn21 ZINC000065247299 221186854 /nfs/dbraw/zinc/18/68/54/221186854.db2.gz NCAGCCBOSVLPHM-UHFFFAOYSA-N -1 0 364.402 2.018 50 0 FEAARM COc1cccc(C(=O)N2CCC(c3cc(CC(=O)[O-])n[nH]3)CC2)c1C ZINC000067559822 221259453 /nfs/dbraw/zinc/25/94/53/221259453.db2.gz WBQHJGKZEMPAQL-UHFFFAOYSA-N -1 0 357.410 2.374 50 0 FEAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC[C@H](c4cc(=O)[nH]cn4)C3)c12 ZINC000067772622 221282667 /nfs/dbraw/zinc/28/26/67/221282667.db2.gz OBHLSYKQGOJALL-JTQLQIEISA-N -1 0 371.422 2.165 50 0 FEAARM O=C([O-])Cc1cc(C2CCN(C(=O)c3cc(Cl)ccc3O)CC2)[nH]n1 ZINC000067773012 221284392 /nfs/dbraw/zinc/28/43/92/221284392.db2.gz NNAABKSVFBACCW-UHFFFAOYSA-N -1 0 363.801 2.416 50 0 FEAARM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1nncn1C(C)C)C2 ZINC000067841090 221292648 /nfs/dbraw/zinc/29/26/48/221292648.db2.gz IFYWUGNZIWJHHK-ZDUSSCGKSA-N -1 0 360.462 2.153 50 0 FEAARM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nc(C3CC3)no1)C2 ZINC000067955122 221307533 /nfs/dbraw/zinc/30/75/33/221307533.db2.gz BELBMICLGDGBAL-GFCCVEGCSA-N -1 0 359.430 2.241 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCCO2)cc1C ZINC000069343180 221323542 /nfs/dbraw/zinc/32/35/42/221323542.db2.gz PWDUAUVWWGAAGG-LSDHHAIUSA-N -1 0 355.456 2.083 50 0 FEAARM CCC/C=C/c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000071551732 221351610 /nfs/dbraw/zinc/35/16/10/221351610.db2.gz ZHRBIYBGRDNOKC-AATRIKPKSA-N -1 0 352.456 2.134 50 0 FEAARM CCOc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccc(N)nc2)CC1 ZINC000095355372 132207257 /nfs/dbraw/zinc/20/72/57/132207257.db2.gz QPLZQIMOKQIWBH-SFHVURJKSA-N -1 0 356.426 2.010 50 0 FEAARM Cc1cc(N2CCC(N(C)C(=O)c3ccc(C(=O)[O-])o3)CC2)nc(C)n1 ZINC000237290122 132247597 /nfs/dbraw/zinc/24/75/97/132247597.db2.gz GPYFWBDRMHKRHR-UHFFFAOYSA-N -1 0 358.398 2.126 50 0 FEAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(c2nc(N)nc3n[nH]cc32)C1 ZINC000071753107 136140366 /nfs/dbraw/zinc/14/03/66/136140366.db2.gz TUAKIZNQPATOMR-LJQANCHMSA-N -1 0 366.425 2.157 50 0 FEAARM CCc1cnc(C)nc1N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072147314 136142705 /nfs/dbraw/zinc/14/27/05/136142705.db2.gz WJFZVLGPSJUHSM-INIZCTEOSA-N -1 0 372.469 2.030 50 0 FEAARM Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095366024 542960381 /nfs/dbraw/zinc/96/03/81/542960381.db2.gz SCMKIYHCQLFQGR-ZDUSSCGKSA-N -1 0 364.829 2.186 50 0 FEAARM CCCOc1cccc([C@H](C(=O)[O-])N2CCN(Cc3nccn3C)CC2)c1 ZINC000095388168 542967336 /nfs/dbraw/zinc/96/73/36/542967336.db2.gz IMAYRPDORMCMIT-LJQANCHMSA-N -1 0 372.469 2.152 50 0 FEAARM Cc1cc(F)ccc1NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000095394488 542969019 /nfs/dbraw/zinc/96/90/19/542969019.db2.gz ZSWZHAKPJFZMRH-UHFFFAOYSA-N -1 0 373.369 2.081 50 0 FEAARM O=S(=O)([N-]c1nc2ccccn2n1)c1ccccc1OC(F)(F)F ZINC000095944093 542983523 /nfs/dbraw/zinc/98/35/23/542983523.db2.gz SSTSEFPXNBUNHO-UHFFFAOYSA-N -1 0 358.301 2.429 50 0 FEAARM O=C([O-])C[C@H](NC(=O)c1cccc(I)c1)C1CC1 ZINC000095970304 542984438 /nfs/dbraw/zinc/98/44/38/542984438.db2.gz UMFNWWNVBDBAKE-NSHDSACASA-N -1 0 359.163 2.274 50 0 FEAARM Cc1cc2nc(C[N@@H+]3CCC[C@H](C(=O)Cc4ccccc4)C3)cc(=O)n2[n-]1 ZINC000102390822 543068007 /nfs/dbraw/zinc/06/80/07/543068007.db2.gz AFASEDKSVOUJGR-KRWDZBQOSA-N -1 0 364.449 2.355 50 0 FEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)CC2CCOCC2)s1 ZINC000121742760 543699329 /nfs/dbraw/zinc/69/93/29/543699329.db2.gz XMKSWUKDTRAUNH-UHFFFAOYSA-N -1 0 360.501 2.408 50 0 FEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)CCn2cccc2)CC1 ZINC000072458314 221537963 /nfs/dbraw/zinc/53/79/63/221537963.db2.gz PXLQYWDMFLKOIS-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095386593 221891869 /nfs/dbraw/zinc/89/18/69/221891869.db2.gz XGMKLSNJVPUYHK-CQSZACIVSA-N -1 0 362.426 2.249 50 0 FEAARM COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c([O-])nc2ccccn2c1=O ZINC000096116735 222032678 /nfs/dbraw/zinc/03/26/78/222032678.db2.gz SLZNMBKRXFMOLK-NSHDSACASA-N -1 0 374.780 2.454 50 0 FEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1ccccc1C(F)(F)F ZINC000096162751 222061558 /nfs/dbraw/zinc/06/15/58/222061558.db2.gz OHOJQQUALVMYMX-ZDUSSCGKSA-N -1 0 353.300 2.009 50 0 FEAARM C[C@H](c1nc(C2CCCC2)nn1CC(=O)[O-])n1cnc2ccccc2c1=O ZINC000097213020 222168447 /nfs/dbraw/zinc/16/84/47/222168447.db2.gz FYMQJQARBAATED-GFCCVEGCSA-N -1 0 367.409 2.340 50 0 FEAARM COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4)C(O)=C23)cc1OC ZINC000103532599 222337679 /nfs/dbraw/zinc/33/76/79/222337679.db2.gz KWGHCGLSACSWSS-WMZOPIPTSA-N -1 0 366.373 2.305 50 0 FEAARM CCCN1C(C(=O)Nc2cc(C)on2)=C([O-])c2ccccc2S1(=O)=O ZINC000101453369 222275690 /nfs/dbraw/zinc/27/56/90/222275690.db2.gz YGLWJFVJFXUNDH-UHFFFAOYSA-N -1 0 363.395 2.263 50 0 FEAARM O=C([N-]S(=O)(=O)c1cccnc1)[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000147378091 544446014 /nfs/dbraw/zinc/44/60/14/544446014.db2.gz XLGOAKSPHAGJLY-ZDUSSCGKSA-N -1 0 374.340 2.207 50 0 FEAARM O=C([O-])[C@@H]1CC12CCN(C(=O)CCN1C(=O)CCc3ccccc31)CC2 ZINC000262394912 328863287 /nfs/dbraw/zinc/86/32/87/328863287.db2.gz GNAHKTXOSPLBQY-HNNXBMFYSA-N -1 0 356.422 2.069 50 0 FEAARM CCOc1ccccc1[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])NC(C)=O ZINC000262587166 328874644 /nfs/dbraw/zinc/87/46/44/328874644.db2.gz SWQJDIWIUMZTJV-HZPDHXFCSA-N -1 0 362.426 2.118 50 0 FEAARM Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(S(C)(=O)=O)c1 ZINC000263208675 328925183 /nfs/dbraw/zinc/92/51/83/328925183.db2.gz YQTLFLFAGSTNDA-UHFFFAOYSA-N -1 0 354.428 2.163 50 0 FEAARM O=C([O-])CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCO1 ZINC000263260654 328928977 /nfs/dbraw/zinc/92/89/77/328928977.db2.gz WJCDOROPTNLLAL-ZDUSSCGKSA-N -1 0 356.216 2.431 50 0 FEAARM Cc1cc(S(C)(=O)=O)cc(C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000263372124 328936098 /nfs/dbraw/zinc/93/60/98/328936098.db2.gz YTZBRVGSZQYITG-UHFFFAOYSA-N -1 0 353.440 2.080 50 0 FEAARM Cc1conc1[N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000269348943 329510155 /nfs/dbraw/zinc/51/01/55/329510155.db2.gz FJTYMPJUBYNXOI-UHFFFAOYSA-N -1 0 373.456 2.081 50 0 FEAARM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178279526 524994530 /nfs/dbraw/zinc/99/45/30/524994530.db2.gz RWQNZVXZDOHCQZ-GUYCJALGSA-N -1 0 370.405 2.156 50 0 FEAARM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268942649 525943359 /nfs/dbraw/zinc/94/33/59/525943359.db2.gz FVUJCGCKJUIHTJ-NXEZZACHSA-N -1 0 362.209 2.463 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000268984029 526287961 /nfs/dbraw/zinc/28/79/61/526287961.db2.gz OZQMPJQFPBMARJ-UTUOFQBUSA-N -1 0 359.300 2.001 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 ZINC000238147457 527625970 /nfs/dbraw/zinc/62/59/70/527625970.db2.gz SSKLYLSQLNLKCJ-LSDHHAIUSA-N -1 0 372.446 2.429 50 0 FEAARM CCOc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)[O-] ZINC000058519331 535391596 /nfs/dbraw/zinc/39/15/96/535391596.db2.gz XDLYJGZECKPGLI-UHFFFAOYSA-N -1 0 363.391 2.371 50 0 FEAARM CCc1cc(N2CCC(C(=O)[O-])(n3cnc4ccccc43)CC2)ncn1 ZINC000072473055 536143383 /nfs/dbraw/zinc/14/33/83/536143383.db2.gz LPSGDNUTNVKHGB-UHFFFAOYSA-N -1 0 351.410 2.469 50 0 FEAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1nccc(C3CCCC3)n1)CC2 ZINC000095388963 536316867 /nfs/dbraw/zinc/31/68/67/536316867.db2.gz IARXCIJCEKXYGB-CQSZACIVSA-N -1 0 358.442 2.036 50 0 FEAARM C[C@@H](CN(C(=O)CCC(=O)N1CCc2sccc2C1)C1CC1)C(=O)[O-] ZINC000170592295 546161807 /nfs/dbraw/zinc/16/18/07/546161807.db2.gz SYRWIWVAUFRMDM-LBPRGKRZSA-N -1 0 364.467 2.125 50 0 FEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000170534490 546162605 /nfs/dbraw/zinc/16/26/05/546162605.db2.gz NPKUYNPXTUNXBW-QGZVFWFLSA-N -1 0 352.390 2.050 50 0 FEAARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000170645753 546168736 /nfs/dbraw/zinc/16/87/36/546168736.db2.gz ZXCFIUTXWBEYMP-SNVBAGLBSA-N -1 0 354.453 2.213 50 0 FEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000178259140 546765878 /nfs/dbraw/zinc/76/58/78/546765878.db2.gz AJFDFKWYFXMZJH-SNVBAGLBSA-N -1 0 364.199 2.182 50 0 FEAARM CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C ZINC000185293277 547965463 /nfs/dbraw/zinc/96/54/63/547965463.db2.gz NMEPAZOQBFRSMA-LBPRGKRZSA-N -1 0 350.448 2.062 50 0 FEAARM O=C([O-])[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C1 ZINC000217970140 548683932 /nfs/dbraw/zinc/68/39/32/548683932.db2.gz OZDPCCKTSPDMIR-LBPRGKRZSA-N -1 0 366.845 2.447 50 0 FEAARM Cc1cc(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)cn1 ZINC000219586102 548695259 /nfs/dbraw/zinc/69/52/59/548695259.db2.gz FXFNYVNSROCINF-QZTJIDSGSA-N -1 0 370.405 2.363 50 0 FEAARM O=C([O-])c1ccc(-c2nc3c([nH]2)CCN(C(=O)Cc2ccccn2)C3)cc1 ZINC000220440828 548699919 /nfs/dbraw/zinc/69/99/19/548699919.db2.gz STERSXHZHJELLQ-UHFFFAOYSA-N -1 0 362.389 2.297 50 0 FEAARM O=C(NCc1noc(-c2ccccc2)n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000222887389 548713098 /nfs/dbraw/zinc/71/30/98/548713098.db2.gz UPVCFLCVUJCEGA-UHFFFAOYSA-N -1 0 361.361 2.146 50 0 FEAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000223535909 548720851 /nfs/dbraw/zinc/72/08/51/548720851.db2.gz JFMYHSWVUWIGDG-HUUCEWRRSA-N -1 0 367.829 2.137 50 0 FEAARM CCOc1cc(NC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)ccc1OC ZINC000225487914 548735449 /nfs/dbraw/zinc/73/54/49/548735449.db2.gz ITDDMHWBYBLMSE-NHYWBVRUSA-N -1 0 352.387 2.095 50 0 FEAARM COc1ccc(Br)c(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000237324550 548818952 /nfs/dbraw/zinc/81/89/52/548818952.db2.gz WUPFIRHFAPSCGY-JTQLQIEISA-N -1 0 356.216 2.323 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CCO1 ZINC000238132090 548879354 /nfs/dbraw/zinc/87/93/54/548879354.db2.gz MQKUZQRJGBFXIP-GFCCVEGCSA-N -1 0 352.799 2.389 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CCO1 ZINC000238196289 548880294 /nfs/dbraw/zinc/88/02/94/548880294.db2.gz KOCFFLPVXGBTEX-CQSZACIVSA-N -1 0 364.398 2.194 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCO1 ZINC000238197613 548880600 /nfs/dbraw/zinc/88/06/00/548880600.db2.gz JHKSCHLXHYBVEU-SECBINFHSA-N -1 0 367.199 2.246 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000238195164 548880696 /nfs/dbraw/zinc/88/06/96/548880696.db2.gz CWUADHGWTZRDDP-CYBMUJFWSA-N -1 0 357.328 2.439 50 0 FEAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)c1C ZINC000252496081 549669977 /nfs/dbraw/zinc/66/99/77/549669977.db2.gz PEWIDHHEGOOEHA-LLVKDONJSA-N -1 0 364.427 2.040 50 0 FEAARM CC(C)Cc1ccc(CC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000262522104 549826330 /nfs/dbraw/zinc/82/63/30/549826330.db2.gz MSRJSCVSNHNMPF-UHFFFAOYSA-N -1 0 374.481 2.209 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(COc3cccc(F)c3)c2)CCO1 ZINC000262915275 549862276 /nfs/dbraw/zinc/86/22/76/549862276.db2.gz DGRBBUJFRGNQDH-KRWDZBQOSA-N -1 0 359.353 2.330 50 0 FEAARM CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000268900784 550129501 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354.815 2.102 50 0 FEAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NC2CCCC2)c1OC ZINC000005981783 669956454 /nfs/dbraw/zinc/95/64/54/669956454.db2.gz YQXVEBSZUCUVNM-FPLPWBNLSA-N -1 0 355.412 2.023 50 0 FEAARM COc1cc2oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c2cc1Cl ZINC000002117351 539344853 /nfs/dbraw/zinc/34/48/53/539344853.db2.gz FAWKUWLVMIQHNZ-UHFFFAOYSA-N -1 0 367.785 2.287 50 0 biogenic FEAARM CCn1ncc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCC4)c1C ZINC000002777525 539352860 /nfs/dbraw/zinc/35/28/60/539352860.db2.gz PEAHJHSAUKIRGI-UHFFFAOYSA-N -1 0 357.439 2.164 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1OC(F)F ZINC000042290919 210186597 /nfs/dbraw/zinc/18/65/97/210186597.db2.gz LIUBLVHGGOVCEO-FPLPWBNLSA-N -1 0 372.349 2.411 50 0 FEAARM O=C(CCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC1CCCC1 ZINC000002975365 539357702 /nfs/dbraw/zinc/35/77/02/539357702.db2.gz OWPBUEZXYBQTAQ-UHFFFAOYSA-N -1 0 361.423 2.237 50 0 FEAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1Cc1cccnc1 ZINC000002975987 539357819 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FEAARM O=C([N-]C(=O)c1ccc(Cl)c(Cl)c1)O[C@@H]1CCS(=O)(=O)C1 ZINC000004101268 539376232 /nfs/dbraw/zinc/37/62/32/539376232.db2.gz MUYYVRWGNFUEBX-MRVPVSSYSA-N -1 0 352.195 2.047 50 0 FEAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CCCCCC1 ZINC000004306469 539381899 /nfs/dbraw/zinc/38/18/99/539381899.db2.gz NMGQIEKQKPUBPP-UHFFFAOYSA-N -1 0 353.469 2.293 50 0 FEAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(OC)cc2)nc1C ZINC000004411672 539384276 /nfs/dbraw/zinc/38/42/76/539384276.db2.gz QACPVIZBGFNSKJ-UHFFFAOYSA-N -1 0 356.425 2.438 50 0 FEAARM Cc1cc(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c(C)n1C ZINC000004486708 539385665 /nfs/dbraw/zinc/38/56/65/539385665.db2.gz RGZWFTLJUQKVLU-UHFFFAOYSA-N -1 0 364.423 2.053 50 0 FEAARM CC(C)C[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)[O-] ZINC000005240305 539406406 /nfs/dbraw/zinc/40/64/06/539406406.db2.gz OMRCRRODQMLMIU-ZDUSSCGKSA-N -1 0 353.396 2.040 50 0 FEAARM COc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000005451419 539411322 /nfs/dbraw/zinc/41/13/22/539411322.db2.gz TVJFRLANZQSWLM-UHFFFAOYSA-N -1 0 372.406 2.398 50 0 FEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706818 539416053 /nfs/dbraw/zinc/41/60/53/539416053.db2.gz RGPFRWHTVUVNAT-BPUTZDHNSA-N -1 0 362.426 2.403 50 0 FEAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)CC1 ZINC000006395697 539426929 /nfs/dbraw/zinc/42/69/29/539426929.db2.gz IVUWGDWEDHYHLA-UHFFFAOYSA-N -1 0 368.455 2.301 50 0 FEAARM CC(=O)Nc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)ccc1[O-] ZINC000008771529 539492875 /nfs/dbraw/zinc/49/28/75/539492875.db2.gz BRDOYYGCJDTADK-UHFFFAOYSA-N -1 0 371.422 2.380 50 0 FEAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000008961598 539494441 /nfs/dbraw/zinc/49/44/41/539494441.db2.gz OGXFFGRXDXGKOQ-UHFFFAOYSA-N -1 0 352.437 2.403 50 0 FEAARM O=C(Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21)c1cccs1 ZINC000009319684 539500567 /nfs/dbraw/zinc/50/05/67/539500567.db2.gz KHEZZEZIIABEMQ-UHFFFAOYSA-N -1 0 367.390 2.310 50 0 FEAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000011865452 539537105 /nfs/dbraw/zinc/53/71/05/539537105.db2.gz PYBJBBDDKVNUQD-XXFAHNHDSA-N -1 0 361.394 2.273 50 0 FEAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854268 539701803 /nfs/dbraw/zinc/70/18/03/539701803.db2.gz GRQASOANQBSIRV-HNNXBMFYSA-N -1 0 374.466 2.489 50 0 FEAARM O=C1NCc2cccc([N-]S(=O)(=O)c3ccccc3Br)c21 ZINC000025044442 539747481 /nfs/dbraw/zinc/74/74/81/539747481.db2.gz LKLADVVLXQUYDZ-UHFFFAOYSA-N -1 0 367.224 2.493 50 0 FEAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000034302719 539977177 /nfs/dbraw/zinc/97/71/77/539977177.db2.gz CCPXIFCBNOUEBC-LSDHHAIUSA-N -1 0 364.442 2.348 50 0 FEAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)[O-])s2)cc1OC ZINC000040312532 540009436 /nfs/dbraw/zinc/00/94/36/540009436.db2.gz GKDIGLZCYBBICR-VIFPVBQESA-N -1 0 350.396 2.339 50 0 FEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000237981276 222912764 /nfs/dbraw/zinc/91/27/64/222912764.db2.gz ZEMIAJFOJUQPOE-CQSZACIVSA-N -1 0 371.437 2.492 50 0 FEAARM CC(C)Cn1c(=O)n(CCn2cc(Cl)cn2)c2cc(C(=O)[O-])cnc21 ZINC000055224739 540637730 /nfs/dbraw/zinc/63/77/30/540637730.db2.gz GQSRCZKFWRTEDF-UHFFFAOYSA-N -1 0 363.805 2.102 50 0 FEAARM COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000057122949 540770166 /nfs/dbraw/zinc/77/01/66/540770166.db2.gz KAIACTRNMNBNFM-UHFFFAOYSA-N -1 0 357.334 2.497 50 0 FEAARM CCN(CC)S(=O)(=O)c1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000058210373 540834159 /nfs/dbraw/zinc/83/41/59/540834159.db2.gz KRWQQNBACAPEHI-JTQLQIEISA-N -1 0 352.378 2.457 50 0 FEAARM Cn1nc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c2c1cccc2Cl ZINC000072145494 541788003 /nfs/dbraw/zinc/78/80/03/541788003.db2.gz CKQSSFYNFKZVHK-UHFFFAOYSA-N -1 0 373.844 2.456 50 0 FEAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3cnn4cccnc34)C2)c1 ZINC000072145248 541788193 /nfs/dbraw/zinc/78/81/93/541788193.db2.gz LUCJPLOJGSXXQB-CQSZACIVSA-N -1 0 350.378 2.132 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1cc3cc(F)ccc3[nH]1)C2 ZINC000072156275 541791683 /nfs/dbraw/zinc/79/16/83/541791683.db2.gz IUMGTOMYJKZGCX-UHFFFAOYSA-N -1 0 356.357 2.177 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000072400804 541805040 /nfs/dbraw/zinc/80/50/40/541805040.db2.gz VRRKAQUKYXVYMQ-GFCCVEGCSA-N -1 0 353.338 2.155 50 0 FEAARM O=C([O-])CCCNC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000061720884 212025134 /nfs/dbraw/zinc/02/51/34/212025134.db2.gz UQIFZXPXKKRUKM-UHFFFAOYSA-N -1 0 365.389 2.045 50 0 FEAARM Cc1cc(=O)oc2c1ccc([O-])c2NC(=O)C(=O)NCc1ccccc1F ZINC000061718060 212025113 /nfs/dbraw/zinc/02/51/13/212025113.db2.gz BGOJSHQHEIQNKI-UHFFFAOYSA-N -1 0 370.336 2.201 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC000072425387 541811302 /nfs/dbraw/zinc/81/13/02/541811302.db2.gz JPUKOCLLZXPKPY-UHFFFAOYSA-N -1 0 351.765 2.392 50 0 FEAARM Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(CC(=O)[O-])cs3)ccc12 ZINC000012893322 220039894 /nfs/dbraw/zinc/03/98/94/220039894.db2.gz ZJFAIIXUXWSXTN-UHFFFAOYSA-N -1 0 374.374 2.203 50 0 FEAARM O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ncccc2[O-])cc1 ZINC000058201221 211993432 /nfs/dbraw/zinc/99/34/32/211993432.db2.gz ZYYJJUNQOSSOJD-CQSZACIVSA-N -1 0 356.382 2.340 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013195817 220061483 /nfs/dbraw/zinc/06/14/83/220061483.db2.gz HRBNNPYTUUXJCT-CQSZACIVSA-N -1 0 365.407 2.198 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000299748639 211827127 /nfs/dbraw/zinc/82/71/27/211827127.db2.gz HTKKTBFWLIZMCG-IBGZPJMESA-N -1 0 361.401 2.453 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)OC)c1 ZINC000017793249 211187208 /nfs/dbraw/zinc/18/72/08/211187208.db2.gz KLBYGXLQFKHOCR-UHFFFAOYSA-N -1 0 350.396 2.129 50 0 FEAARM NC(=O)C1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000018193256 211193460 /nfs/dbraw/zinc/19/34/60/211193460.db2.gz DTRPSVBSYRQVQC-UHFFFAOYSA-N -1 0 352.390 2.389 50 0 FEAARM COc1ccc(C=C(c2nnn[n-]2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000016742265 211168293 /nfs/dbraw/zinc/16/82/93/211168293.db2.gz MUASBXUOKVVEIW-MHWRWJLKSA-N -1 0 372.406 2.189 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000016101087 211155617 /nfs/dbraw/zinc/15/56/17/211155617.db2.gz NKRUKEDHSBVLAS-UHFFFAOYSA-N -1 0 367.354 2.200 50 0 FEAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)cc1 ZINC000015869157 211149618 /nfs/dbraw/zinc/14/96/18/211149618.db2.gz QHIJCAHVLMRUAZ-UHFFFAOYSA-N -1 0 358.354 2.475 50 0 FEAARM Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013268686 211029474 /nfs/dbraw/zinc/02/94/74/211029474.db2.gz VYLZRNSVEHBCHU-INIZCTEOSA-N -1 0 371.418 2.186 50 0 FEAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000012769365 210989321 /nfs/dbraw/zinc/98/93/21/210989321.db2.gz KEUKFUPPTMOZGY-UHFFFAOYSA-N -1 0 353.318 2.071 50 0 FEAARM O=C([O-])CCCC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004181015 210514749 /nfs/dbraw/zinc/51/47/49/210514749.db2.gz TZIBNPSGYMRVPR-CMKMFDCUSA-N -1 0 370.405 2.416 50 0 FEAARM O=C([O-])C1CCC(CNC(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000002202882 210384039 /nfs/dbraw/zinc/38/40/39/210384039.db2.gz NVIWNXPQHBCMDR-UHFFFAOYSA-N -1 0 359.378 2.048 50 0 aggregator FEAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002125345 210379700 /nfs/dbraw/zinc/37/97/00/210379700.db2.gz BYRZUFLAIAGTSN-LBPRGKRZSA-N -1 0 361.394 2.494 50 0 biogenic FEAARM COc1ccc(NC(=O)[C@H](C)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000010484238 210370845 /nfs/dbraw/zinc/37/08/45/210370845.db2.gz BRMFSQBDLVFHBE-NSHDSACASA-N -1 0 367.361 2.303 50 0 FEAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)N1CCCC1 ZINC000009761945 210347046 /nfs/dbraw/zinc/34/70/46/210347046.db2.gz QAANZVBHVWQZIS-UHFFFAOYSA-N -1 0 359.860 2.166 50 0 FEAARM O=C([O-])CCN1CC2(CCN(C(=O)c3ccc4c(c3)CCC4)CC2)OC1=O ZINC000077520217 542391723 /nfs/dbraw/zinc/39/17/23/542391723.db2.gz GYYDOIWYPIXFTN-UHFFFAOYSA-N -1 0 372.421 2.077 50 0 FEAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468361 220387169 /nfs/dbraw/zinc/38/71/69/220387169.db2.gz VUDTXCMMKSSLFB-CQSZACIVSA-N -1 0 361.446 2.281 50 0 FEAARM O=C([O-])CNc1ccccc1C(=O)N(C/C=C/c1ccccc1)CCO ZINC000065426309 221217408 /nfs/dbraw/zinc/21/74/08/221217408.db2.gz JASHQFWCCYWALT-RMKNXTFCSA-N -1 0 354.406 2.331 50 0 FEAARM C[C@@H](O)c1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000065592736 221234947 /nfs/dbraw/zinc/23/49/47/221234947.db2.gz JGMZEGJUEAOEKP-SNVBAGLBSA-N -1 0 355.419 2.195 50 0 FEAARM CC(C)CC[C@@]1(C2CCN(c3ncccc3C(=O)[O-])CC2)NC(=O)NC1=O ZINC000067604512 221261972 /nfs/dbraw/zinc/26/19/72/221261972.db2.gz VHLPSIPZAISKNR-IBGZPJMESA-N -1 0 374.441 2.011 50 0 FEAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)c1 ZINC000072145247 221422356 /nfs/dbraw/zinc/42/23/56/221422356.db2.gz LUCJPLOJGSXXQB-AWEZNQCLSA-N -1 0 350.378 2.132 50 0 FEAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)Cc2cccnc2)CC1 ZINC000072410777 221503115 /nfs/dbraw/zinc/50/31/15/221503115.db2.gz SWCCEAMYQVWOLU-UHFFFAOYSA-N -1 0 358.369 2.288 50 0 FEAARM O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc2c(c1)OCCCO2 ZINC000084490244 542715917 /nfs/dbraw/zinc/71/59/17/542715917.db2.gz HDDPLVTVQBNQOU-UHFFFAOYSA-N -1 0 363.317 2.391 50 0 FEAARM CON(C)C(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000085223579 542723678 /nfs/dbraw/zinc/72/36/78/542723678.db2.gz VRGYYWMUTXDXKN-UHFFFAOYSA-N -1 0 365.820 2.132 50 0 FEAARM Nc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)n1 ZINC000077420570 132184744 /nfs/dbraw/zinc/18/47/44/132184744.db2.gz NNDJWQHIKFKMAF-UHFFFAOYSA-N -1 0 365.393 2.110 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1nccc(C3CCCC3)n1)CC2 ZINC000095388964 132210420 /nfs/dbraw/zinc/21/04/20/132210420.db2.gz IARXCIJCEKXYGB-AWEZNQCLSA-N -1 0 358.442 2.036 50 0 FEAARM CCCn1cc(C(=O)N2CCN(c3cccc(C(=O)[O-])c3)CC2)c(C)n1 ZINC000095527220 132214737 /nfs/dbraw/zinc/21/47/37/132214737.db2.gz JQWVPDCHYWWTGG-UHFFFAOYSA-N -1 0 356.426 2.262 50 0 FEAARM CN(C[C@H]1CC1(C)C)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096148492 132220621 /nfs/dbraw/zinc/22/06/21/132220621.db2.gz RDXJHBRPHWKGEJ-CYBMUJFWSA-N -1 0 362.474 2.158 50 0 FEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCN(c2cnccn2)CC1 ZINC000237271156 132247283 /nfs/dbraw/zinc/24/72/83/132247283.db2.gz PTKFAMQXBRXEAO-UHFFFAOYSA-N -1 0 354.410 2.050 50 0 FEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000219727123 132274733 /nfs/dbraw/zinc/27/47/33/132274733.db2.gz PEMQHMIFAQROMQ-QGZVFWFLSA-N -1 0 354.410 2.052 50 0 FEAARM Cc1oc(CNC(=O)CCN2C(=O)CCc3ccccc32)cc1C(=O)[O-] ZINC000299752049 136122163 /nfs/dbraw/zinc/12/21/63/136122163.db2.gz SNPYVXHLKBOICB-UHFFFAOYSA-N -1 0 356.378 2.272 50 0 FEAARM Cc1ccn2c(nnc2C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095353704 542957510 /nfs/dbraw/zinc/95/75/10/542957510.db2.gz FALZGCPCVDCTFV-HNNXBMFYSA-N -1 0 365.393 2.151 50 0 FEAARM O=C([O-])[C@@H](Cc1cc(F)c(F)c(F)c1)NC(=O)c1cn2ccsc2n1 ZINC000095366006 542960693 /nfs/dbraw/zinc/96/06/93/542960693.db2.gz WNSFAEVACHSLNB-SNVBAGLBSA-N -1 0 369.324 2.239 50 0 FEAARM O=C([O-])[C@H](CNC(=O)c1cnc(-c2ncccn2)s1)Cc1ccccc1 ZINC000095425293 542969132 /nfs/dbraw/zinc/96/91/32/542969132.db2.gz KIFKXNTWWJECRH-ZDUSSCGKSA-N -1 0 368.418 2.273 50 0 FEAARM CCc1cc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)nc(C)n1 ZINC000095466349 542972084 /nfs/dbraw/zinc/97/20/84/542972084.db2.gz ZYBGZUOJVKKMKC-UHFFFAOYSA-N -1 0 351.428 2.474 50 0 FEAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)[O-] ZINC000095502526 542975131 /nfs/dbraw/zinc/97/51/31/542975131.db2.gz IGECTKMPKQQBOA-INIZCTEOSA-N -1 0 353.382 2.142 50 0 FEAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)c3c(C)noc3C)C[C@H]21 ZINC000095516624 542978120 /nfs/dbraw/zinc/97/81/20/542978120.db2.gz YTOJCDPUVYEJGT-BFUOFWGJSA-N -1 0 372.377 2.003 50 0 FEAARM Cc1cc2ncc(C(=O)N(Cc3ccsc3)C[C@H]3CCCO3)c(=O)n2[n-]1 ZINC000102040826 543056651 /nfs/dbraw/zinc/05/66/51/543056651.db2.gz YFRFCGQGBQQWET-CQSZACIVSA-N -1 0 372.450 2.214 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1CNC(=O)CN1C(=O)CC2(CCCC2)CC1=O ZINC000095521319 221947188 /nfs/dbraw/zinc/94/71/88/221947188.db2.gz BUKYBGGDFQNWIQ-UHFFFAOYSA-N -1 0 372.421 2.019 50 0 FEAARM CSCCc1nc([C@H](C)Oc2ccc3c(c2)OCO3)n(CC(=O)[O-])n1 ZINC000097602534 222197059 /nfs/dbraw/zinc/19/70/59/222197059.db2.gz OIKOZOWWOOSKNL-JTQLQIEISA-N -1 0 365.411 2.137 50 0 FEAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4ncccn4)c(=O)n1c23 ZINC000100663056 222248939 /nfs/dbraw/zinc/24/89/39/222248939.db2.gz OBSCYYXZVHYGKK-VIFPVBQESA-N -1 0 354.341 2.396 50 0 FEAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)c(OC)c3)c2n1 ZINC000100644530 222249675 /nfs/dbraw/zinc/24/96/75/222249675.db2.gz WNQYMQPHCBUVIP-UHFFFAOYSA-N -1 0 371.393 2.121 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101168542 222265434 /nfs/dbraw/zinc/26/54/34/222265434.db2.gz LCIFZKASHJLZJJ-JKSUJKDBSA-N -1 0 354.341 2.328 50 0 FEAARM CCNC(=O)N1C(=O)C(=C([O-])c2cnc(C)cn2)c2cc(Cl)ccc21 ZINC000101173085 222265720 /nfs/dbraw/zinc/26/57/20/222265720.db2.gz RXWCGCFBRUGBBD-CQSZACIVSA-N -1 0 358.785 2.481 50 0 FEAARM Cc1nc2[n-]c(C(=O)NCc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101417271 222274151 /nfs/dbraw/zinc/27/41/51/222274151.db2.gz FCCSQAQTWIMLKY-UHFFFAOYSA-N -1 0 373.416 2.247 50 0 FEAARM CN1CC[C@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O ZINC000124410510 222527307 /nfs/dbraw/zinc/52/73/07/222527307.db2.gz PYYPABWMARGRTR-ZWKOTPCHSA-N -1 0 368.433 2.068 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000152364836 222548946 /nfs/dbraw/zinc/54/89/46/222548946.db2.gz UIHLOZZQSACYRG-NWDGAFQWSA-N -1 0 371.340 2.104 50 0 FEAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])CC2 ZINC000159769953 222554221 /nfs/dbraw/zinc/55/42/21/222554221.db2.gz DIQWQAWMKMXYLI-GXFFZTMASA-N -1 0 371.359 2.374 50 0 FEAARM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136154075 544367744 /nfs/dbraw/zinc/36/77/44/544367744.db2.gz BUFWTALSBYIAQE-NXEZZACHSA-N -1 0 373.236 2.435 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000261869169 328825651 /nfs/dbraw/zinc/82/56/51/328825651.db2.gz QKHHQPGGDFVNNT-NSHDSACASA-N -1 0 360.391 2.128 50 0 FEAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000097045161 534386652 /nfs/dbraw/zinc/38/66/52/534386652.db2.gz UFVMOPKIIONYRR-HNNXBMFYSA-N -1 0 360.458 2.042 50 0 FEAARM CCCc1cc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000091635926 521356890 /nfs/dbraw/zinc/35/68/90/521356890.db2.gz TZZLTUKNOZZNAK-UONOGXRCSA-N -1 0 371.393 2.031 50 0 FEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)COc2ccccc2Cl)C1 ZINC000091551096 522005529 /nfs/dbraw/zinc/00/55/29/522005529.db2.gz WHOZQVYHUBFQDR-QGZVFWFLSA-N -1 0 355.818 2.449 50 0 FEAARM COc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1OCc1cscn1 ZINC000269173286 522090504 /nfs/dbraw/zinc/09/05/04/522090504.db2.gz IRUDPCOORDBRTH-LBPRGKRZSA-N -1 0 362.407 2.277 50 0 FEAARM CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2C=O)C[C@H]1C(=O)[O-] ZINC000169725263 534838589 /nfs/dbraw/zinc/83/85/89/534838589.db2.gz FCGUOXXTKAKNJR-AWEZNQCLSA-N -1 0 352.362 2.149 50 0 FEAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000268944387 525637315 /nfs/dbraw/zinc/63/73/15/525637315.db2.gz LYKIONHMNVDMNY-QGZVFWFLSA-N -1 0 373.430 2.050 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091677299 526284923 /nfs/dbraw/zinc/28/49/23/526284923.db2.gz JPXFNIIHEBWWRH-JKSUJKDBSA-N -1 0 368.389 2.070 50 0 FEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000299747809 526334984 /nfs/dbraw/zinc/33/49/84/526334984.db2.gz FDOSXLFBPQNDCB-OLZOCXBDSA-N -1 0 368.227 2.292 50 0 FEAARM O=C([O-])c1ccc(CCC(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000262408889 526364801 /nfs/dbraw/zinc/36/48/01/526364801.db2.gz NQKGLWQGAAHJDJ-MRXNPFEDSA-N -1 0 358.419 2.079 50 0 FEAARM O=C([O-])CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)CC1=O ZINC000214950564 527611578 /nfs/dbraw/zinc/61/15/78/527611578.db2.gz FRTKJNVCCNXPCC-UHFFFAOYSA-N -1 0 368.433 2.037 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000091292618 527629719 /nfs/dbraw/zinc/62/97/19/527629719.db2.gz VEQDLHLMMZBTRY-CYBMUJFWSA-N -1 0 356.216 2.084 50 0 FEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000156942007 545679615 /nfs/dbraw/zinc/67/96/15/545679615.db2.gz UGVFIEUNGVNWFS-CJNGLKHVSA-N -1 0 373.478 2.149 50 0 FEAARM CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1C ZINC000170640766 546168123 /nfs/dbraw/zinc/16/81/23/546168123.db2.gz CKCPHTWTKNLIGM-UHFFFAOYSA-N -1 0 351.428 2.416 50 0 FEAARM CC(C)(C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC000236691985 548773310 /nfs/dbraw/zinc/77/33/10/548773310.db2.gz KAPMAOVGWWOURG-GFCCVEGCSA-N -1 0 356.216 2.039 50 0 FEAARM COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237121811 548802008 /nfs/dbraw/zinc/80/20/08/548802008.db2.gz QHMPWEWDSZHDDF-LLVKDONJSA-N -1 0 356.216 2.323 50 0 FEAARM CN(CCCC(=O)[O-])C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000237254367 548812407 /nfs/dbraw/zinc/81/24/07/548812407.db2.gz DPXRBHLWRYIBCN-UHFFFAOYSA-N -1 0 360.454 2.181 50 0 FEAARM C[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(Br)s1 ZINC000237456762 548827213 /nfs/dbraw/zinc/82/72/13/548827213.db2.gz GDVYLWSSXNAFFT-RKDXNWHRSA-N -1 0 362.245 2.316 50 0 FEAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237681164 548844219 /nfs/dbraw/zinc/84/42/19/548844219.db2.gz CONWHMPGNASFIS-NSHDSACASA-N -1 0 368.748 2.368 50 0 FEAARM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237825303 548856534 /nfs/dbraw/zinc/85/65/34/548856534.db2.gz HIEXHWRKRGLICM-IJDCCNJMSA-N -1 0 369.421 2.204 50 0 FEAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237837083 548857528 /nfs/dbraw/zinc/85/75/28/548857528.db2.gz XPHNOESHNPZJQB-UHFFFAOYSA-N -1 0 371.437 2.124 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000237959478 548868070 /nfs/dbraw/zinc/86/80/70/548868070.db2.gz RZHPJSJJQIDMRL-INIZCTEOSA-N -1 0 358.438 2.459 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2csc(-c3cnccn3)n2)C1 ZINC000238011276 548872104 /nfs/dbraw/zinc/87/21/04/548872104.db2.gz GSGKJZWSWMHSHD-GFCCVEGCSA-N -1 0 360.439 2.246 50 0 FEAARM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262429078 549819514 /nfs/dbraw/zinc/81/95/14/549819514.db2.gz IQHIOMRNMOBOEC-KOLCDFICSA-N -1 0 362.209 2.463 50 0 FEAARM COc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1OCc1cnn(C)c1 ZINC000499189274 561545478 /nfs/dbraw/zinc/54/54/78/561545478.db2.gz ITMOQSFNEXWHMV-UHFFFAOYSA-N -1 0 373.409 2.135 50 0 FEAARM CNC(=O)c1ccc(/C=C\C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000299327609 553548337 /nfs/dbraw/zinc/54/83/37/553548337.db2.gz BGALMQBOJKLYJT-XXPJGCQJSA-N -1 0 356.422 2.304 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cs2)cn1 ZINC000299742031 553609720 /nfs/dbraw/zinc/60/97/20/553609720.db2.gz ASFVDFOXFLXQOR-GDLCADMTSA-N -1 0 360.439 2.402 50 0 FEAARM CN1C(=O)C[C@H](C(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000299741760 553609923 /nfs/dbraw/zinc/60/99/23/553609923.db2.gz FWEDFODNPYCNDD-BBRMVZONSA-N -1 0 358.419 2.282 50 0 FEAARM CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000299741167 553610007 /nfs/dbraw/zinc/61/00/07/553610007.db2.gz DGTINMBTGROKBF-HIFRSBDPSA-N -1 0 359.488 2.082 50 0 FEAARM COc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1C(=O)[O-] ZINC000299752185 553610244 /nfs/dbraw/zinc/61/02/44/553610244.db2.gz STMDKAAFXHYMMC-ZDUSSCGKSA-N -1 0 372.352 2.275 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(F)cc2)CCO1 ZINC000299753317 553610257 /nfs/dbraw/zinc/61/02/57/553610257.db2.gz XTYGWQFUOVIQID-KRWDZBQOSA-N -1 0 359.353 2.330 50 0 FEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 ZINC000299751276 553610369 /nfs/dbraw/zinc/61/03/69/553610369.db2.gz QDUQVZWTOYSJSK-CJNGLKHVSA-N -1 0 362.401 2.249 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1c(=O)oc2ccccc21 ZINC000299749474 553610531 /nfs/dbraw/zinc/61/05/31/553610531.db2.gz KLZUEEZUSCXTDX-IPYPFGDCSA-N -1 0 358.394 2.229 50 0 FEAARM O=C([O-])C1CCC(NC(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000299745914 553610567 /nfs/dbraw/zinc/61/05/67/553610567.db2.gz UAIBKKNFNGCCRT-UHFFFAOYSA-N -1 0 352.822 2.103 50 0 FEAARM CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299747051 553610599 /nfs/dbraw/zinc/61/05/99/553610599.db2.gz BZBUEBZJJGOTPF-WBMJQRKESA-N -1 0 357.353 2.070 50 0 FEAARM COc1ccc2c(c1)OC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C2 ZINC000332118246 554384022 /nfs/dbraw/zinc/38/40/22/554384022.db2.gz GVTLTIIPQGLZQY-LLVKDONJSA-N -1 0 362.455 2.391 50 0 FEAARM CC(C)n1ncc2cc(C(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)cnc21 ZINC000333568860 554624423 /nfs/dbraw/zinc/62/44/23/554624423.db2.gz RQTTTYABTASJKF-CYBMUJFWSA-N -1 0 355.402 2.203 50 0 FEAARM Cc1oc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C(=O)[O-] ZINC000360573295 554880580 /nfs/dbraw/zinc/88/05/80/554880580.db2.gz QBUQOQLFUOCSSG-CQSZACIVSA-N -1 0 360.391 2.406 50 0 FEAARM Cc1ccc(CNC(=O)N2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cc1 ZINC000426548741 559737616 /nfs/dbraw/zinc/73/76/16/559737616.db2.gz IKUPZXYTMDNGOY-INIZCTEOSA-N -1 0 356.426 2.365 50 0 FEAARM O=C([O-])Cn1nccc1[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000426677692 559740113 /nfs/dbraw/zinc/74/01/13/559740113.db2.gz POUSQOQDJVXSEI-HNNXBMFYSA-N -1 0 367.409 2.397 50 0 FEAARM COc1cc(N[C@@H]2CCCN(C(=O)C(C)(C)C(=O)[O-])C2)cc(OC)c1 ZINC000647739202 568228573 /nfs/dbraw/zinc/22/85/73/568228573.db2.gz GTVBWOVZQSSAIF-GFCCVEGCSA-N -1 0 350.415 2.218 50 0 FEAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000113699552 571321193 /nfs/dbraw/zinc/32/11/93/571321193.db2.gz SWBHFBYJSPUXNY-VIFPVBQESA-N -1 0 358.416 2.044 50 0 FEAARM CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)(C)C(=O)[O-])ccc1C ZINC000578894781 671697016 /nfs/dbraw/zinc/69/70/16/671697016.db2.gz HRSUZASGYVUEJJ-UHFFFAOYSA-N -1 0 356.444 2.075 50 0 FEAARM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccncc1 ZINC000124883396 672003496 /nfs/dbraw/zinc/00/34/96/672003496.db2.gz BEWZSGKBXBWJIP-FLIBITNWSA-N -1 0 351.815 2.180 50 0 FEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630175039 676885589 /nfs/dbraw/zinc/88/55/89/676885589.db2.gz PJVBRNNMCYCQMV-ZOBORPQBSA-N -1 0 350.212 2.410 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=Cc2csc(C)n2)cc1 ZINC000096291459 210239547 /nfs/dbraw/zinc/23/95/47/210239547.db2.gz MQTSLNRUKWRNGW-YVMONPNESA-N -1 0 350.421 2.172 50 0 FEAARM COC1CN(c2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc2)C1 ZINC000253471816 210215141 /nfs/dbraw/zinc/21/51/41/210215141.db2.gz FVAOOMMMIVIULT-UHFFFAOYSA-N -1 0 350.444 2.100 50 0 FEAARM O=C([O-])CCN1C(=O)S[C@H](Nc2ccc(Br)cc2)C1=O ZINC000002503444 539348659 /nfs/dbraw/zinc/34/86/59/539348659.db2.gz CDXQBRBNXAMJND-JTQLQIEISA-N -1 0 359.201 2.357 50 0 FEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OCCOC(C)C)[nH]c2C[C@H]1C ZINC000002499377 539349090 /nfs/dbraw/zinc/34/90/90/539349090.db2.gz HNLIFRRBNSDTJQ-ZWNOBZJWSA-N -1 0 351.399 2.069 50 0 FEAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002560858 539349691 /nfs/dbraw/zinc/34/96/91/539349691.db2.gz JYOQCCFYSJPSLC-GJZGRUSLSA-N -1 0 362.426 2.198 50 0 FEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002560856 539350069 /nfs/dbraw/zinc/35/00/69/539350069.db2.gz ZPRHVPHDENDZTP-HUUCEWRRSA-N -1 0 362.426 2.198 50 0 biogenic FEAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc(C)cc3c2=O)n1 ZINC000002780513 539352807 /nfs/dbraw/zinc/35/28/07/539352807.db2.gz UTLUYUBFGSGVRQ-UHFFFAOYSA-N -1 0 351.819 2.329 50 0 FEAARM CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000003443680 539366065 /nfs/dbraw/zinc/36/60/65/539366065.db2.gz LGMCGWLSDVQJAE-HUUCEWRRSA-N -1 0 368.499 2.370 50 0 FEAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004085474 539376226 /nfs/dbraw/zinc/37/62/26/539376226.db2.gz ADLQHGOSJQKJRI-ZENOOKHLSA-N -1 0 360.435 2.111 50 0 biogenic FEAARM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004333839 539382809 /nfs/dbraw/zinc/38/28/09/539382809.db2.gz SYIBNVMFWLHGOP-UHFFFAOYSA-N -1 0 362.407 2.196 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000005027952 539400381 /nfs/dbraw/zinc/40/03/81/539400381.db2.gz KFZZONKYFXRTMR-UHFFFAOYSA-N -1 0 351.380 2.227 50 0 FEAARM O=C1N[C@H](c2ccccc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000005524717 539412050 /nfs/dbraw/zinc/41/20/50/539412050.db2.gz SCRCGIHQSKHGKJ-IOASZLSFSA-N -1 0 365.311 2.186 50 0 FEAARM COc1cc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)ccc1O ZINC000005682075 539414688 /nfs/dbraw/zinc/41/46/88/539414688.db2.gz PLUBBLAPBRMNRM-AWEZNQCLSA-N -1 0 367.409 2.496 50 0 FEAARM COc1ccc(-n2c(=O)[nH]c([O-])c(Cc3ccccc3OC)c2=O)cc1 ZINC000005917262 539418709 /nfs/dbraw/zinc/41/87/09/539418709.db2.gz HUCZECWUKXFRJY-HNNXBMFYSA-N -1 0 354.362 2.146 50 0 FEAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000006758034 539436118 /nfs/dbraw/zinc/43/61/18/539436118.db2.gz IZJRAAHPSXXDCK-UHFFFAOYSA-N -1 0 363.391 2.451 50 0 FEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000006913915 539441200 /nfs/dbraw/zinc/44/12/00/539441200.db2.gz IFBIVXQSGCAIPB-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000006822886 539439283 /nfs/dbraw/zinc/43/92/83/539439283.db2.gz FZYCDFQXDHLOCU-NSHDSACASA-N -1 0 363.464 2.146 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)s1 ZINC000008961556 539494727 /nfs/dbraw/zinc/49/47/27/539494727.db2.gz POQSPRUDAQMPDE-UHFFFAOYSA-N -1 0 352.437 2.322 50 0 FEAARM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1=O ZINC000008961602 539495882 /nfs/dbraw/zinc/49/58/82/539495882.db2.gz JYFWRZQPSSGXFF-UHFFFAOYSA-N -1 0 364.398 2.481 50 0 FEAARM O=C(Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21)c1cccs1 ZINC000009348145 539501279 /nfs/dbraw/zinc/50/12/79/539501279.db2.gz MBEMOWCQBYXJGY-UHFFFAOYSA-N -1 0 351.391 2.322 50 0 FEAARM CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000012437263 539560470 /nfs/dbraw/zinc/56/04/70/539560470.db2.gz QICMKDHDUXOYJU-FOWTUZBSSA-N -1 0 368.389 2.057 50 0 FEAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000013261814 539585152 /nfs/dbraw/zinc/58/51/52/539585152.db2.gz ZPUSJNHISLMBKB-GFCCVEGCSA-N -1 0 350.802 2.016 50 0 FEAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)N1CCCCC1 ZINC000015987792 539626010 /nfs/dbraw/zinc/62/60/10/539626010.db2.gz PDZWLRAYDVKDJL-UHFFFAOYSA-N -1 0 359.451 2.351 50 0 FEAARM CN1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000020643491 539676624 /nfs/dbraw/zinc/67/66/24/539676624.db2.gz PYFJUKZJGULYAE-UHFFFAOYSA-N -1 0 374.510 2.393 50 0 FEAARM CNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000020331352 539674119 /nfs/dbraw/zinc/67/41/19/539674119.db2.gz BHOXOZNYQLPTCL-UHFFFAOYSA-N -1 0 360.439 2.465 50 0 FEAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157345 539708364 /nfs/dbraw/zinc/70/83/64/539708364.db2.gz CATHIDBJMVNXPV-CQSZACIVSA-N -1 0 362.430 2.490 50 0 FEAARM COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000024433290 539731169 /nfs/dbraw/zinc/73/11/69/539731169.db2.gz JJBAWFFVQICJNY-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1 ZINC000029028503 539841414 /nfs/dbraw/zinc/84/14/14/539841414.db2.gz MTPBFLRNZNFCAZ-UHFFFAOYSA-N -1 0 370.456 2.120 50 0 FEAARM O=C([O-])CN(CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000034926502 539978352 /nfs/dbraw/zinc/97/83/52/539978352.db2.gz RMGPKDNBXHQROJ-UHFFFAOYSA-N -1 0 351.406 2.418 50 0 FEAARM Cc1nn(Cc2c(C)onc2C(=O)[O-])c(C)c1I ZINC000034925037 539978633 /nfs/dbraw/zinc/97/86/33/539978633.db2.gz PZAINGBAOLZTBB-UHFFFAOYSA-N -1 0 361.139 2.147 50 0 FEAARM CC(=O)NCc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000236672673 222904384 /nfs/dbraw/zinc/90/43/84/222904384.db2.gz WJVPENHZNDXMMJ-OAHLLOKOSA-N -1 0 358.419 2.036 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cs2)cn1 ZINC000237803725 222911352 /nfs/dbraw/zinc/91/13/52/222911352.db2.gz 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ZINC000072407440 541805839 /nfs/dbraw/zinc/80/58/39/541805839.db2.gz JDGOORQTKMNLJK-UHFFFAOYSA-N -1 0 359.430 2.347 50 0 FEAARM Cn1cc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)c2ccccc21 ZINC000072419443 541808010 /nfs/dbraw/zinc/80/80/10/541808010.db2.gz FADKTRKYSFLBRY-UHFFFAOYSA-N -1 0 352.394 2.091 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCc3ccccc3C1)C2 ZINC000072417835 541808115 /nfs/dbraw/zinc/80/81/15/541808115.db2.gz IDHMYFHGFLZHIK-QGZVFWFLSA-N -1 0 367.449 2.438 50 0 FEAARM Cn1ccnc1SCC(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072425486 541810742 /nfs/dbraw/zinc/81/07/42/541810742.db2.gz TXQZEQDAYAWCLN-AWEZNQCLSA-N -1 0 359.451 2.302 50 0 FEAARM Cc1cc(C)n(C2CN(c3nccc(-c4cc(C(=O)[O-])ccn4)n3)C2)n1 ZINC000072429864 541812031 /nfs/dbraw/zinc/81/20/31/541812031.db2.gz KIFRGXVHFHUGOZ-UHFFFAOYSA-N -1 0 350.382 2.111 50 0 FEAARM Cc1ccc(OCC(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)cc1C ZINC000072479622 541821146 /nfs/dbraw/zinc/82/11/46/541821146.db2.gz LJHMGQCFRRYTTF-UHFFFAOYSA-N -1 0 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/nfs/dbraw/zinc/80/69/92/541806992.db2.gz CDNBTIHJYIBGMY-KRWDZBQOSA-N -1 0 369.421 2.266 50 0 FEAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(F)cc2F)c1 ZINC000072423481 541810148 /nfs/dbraw/zinc/81/01/48/541810148.db2.gz AVUBBFQWQNTBPB-UHFFFAOYSA-N -1 0 371.361 2.255 50 0 FEAARM Cc1ncncc1C(=O)N1CCC(Oc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000072434876 541813174 /nfs/dbraw/zinc/81/31/74/541813174.db2.gz WDUUAQIYCJKOBV-UHFFFAOYSA-N -1 0 359.357 2.063 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000072438655 541814830 /nfs/dbraw/zinc/81/48/30/541814830.db2.gz SYVFYNKLSBQBGQ-UHFFFAOYSA-N -1 0 353.382 2.322 50 0 FEAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1ccc(F)cc1)CCN(C(=O)C1CC1)CC2 ZINC000072428636 541811471 /nfs/dbraw/zinc/81/14/71/541811471.db2.gz ILIRVLMXMRVHBF-INIZCTEOSA-N -1 0 374.412 2.144 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000072448574 541815728 /nfs/dbraw/zinc/81/57/28/541815728.db2.gz BHOLNCUQFAUMAV-UHFFFAOYSA-N -1 0 351.765 2.392 50 0 FEAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000013455942 220069021 /nfs/dbraw/zinc/06/90/21/220069021.db2.gz XUIDFPGEGRNXIA-SSDOTTSWSA-N -1 0 354.211 2.101 50 0 FEAARM O=C([O-])C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1cccs1 ZINC000299753344 211837047 /nfs/dbraw/zinc/83/70/47/211837047.db2.gz XXDVRRVRCUXPPR-ZDUSSCGKSA-N -1 0 359.407 2.224 50 0 FEAARM Cc1ccc(NC(=O)CSCc2n[nH]c(=O)[n-]2)c(Br)c1 ZINC000018211352 211196393 /nfs/dbraw/zinc/19/63/93/211196393.db2.gz KPLVIZBXUPSPRA-UHFFFAOYSA-N -1 0 357.233 2.041 50 0 FEAARM COc1cccc(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015726014 211139615 /nfs/dbraw/zinc/13/96/15/211139615.db2.gz PBHHKQGXIJUUON-UHFFFAOYSA-N -1 0 359.407 2.436 50 0 FEAARM CC(=O)N1CCc2cc(C(=O)NCCc3ccc(C(=O)[O-])cc3)ccc21 ZINC000013443708 211034841 /nfs/dbraw/zinc/03/48/41/211034841.db2.gz BJQRKRJDYGIYBA-UHFFFAOYSA-N -1 0 352.390 2.266 50 0 FEAARM Cc1cccc(-c2nnc(S[C@@H](C)C(=O)NC3CC3)n2CCC(=O)[O-])c1 ZINC000013198456 211027821 /nfs/dbraw/zinc/02/78/21/211027821.db2.gz BIMDSQXOCDZSOO-LBPRGKRZSA-N -1 0 374.466 2.487 50 0 FEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000013153343 211026539 /nfs/dbraw/zinc/02/65/39/211026539.db2.gz IHVSYGJVGWCWRK-YESZJQIVSA-N -1 0 374.437 2.425 50 0 FEAARM COc1ccccc1OCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012751838 210986072 /nfs/dbraw/zinc/98/60/72/210986072.db2.gz PHXSTWFREHVCKB-UHFFFAOYSA-N -1 0 359.407 2.031 50 0 FEAARM CN1C2=C(C(=O)N(c3cccc(C(=O)[O-])c3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004726774 210556951 /nfs/dbraw/zinc/55/69/51/210556951.db2.gz FYJVAFRVYTWGRN-QGZVFWFLSA-N -1 0 363.373 2.382 50 0 FEAARM COC(=O)[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000004547179 210539735 /nfs/dbraw/zinc/53/97/35/210539735.db2.gz YWOVJYFCESYASS-MRXNPFEDSA-N -1 0 373.361 2.046 50 0 FEAARM COC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-] ZINC000002571224 210406224 /nfs/dbraw/zinc/40/62/24/210406224.db2.gz WZOJAVFXPYXQQA-UHFFFAOYSA-N -1 0 373.205 2.402 50 0 FEAARM C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002022058 210377156 /nfs/dbraw/zinc/37/71/56/210377156.db2.gz BVNXQVWGWUHKMK-PBHICJAKSA-N -1 0 370.405 2.113 50 0 FEAARM CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002103190 210380484 /nfs/dbraw/zinc/38/04/84/210380484.db2.gz OHLPCNJMPWHYJG-CQSZACIVSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM CCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1)C(=O)[O-] ZINC000002091770 210380234 /nfs/dbraw/zinc/38/02/34/210380234.db2.gz NYJXDEFJAKVHJE-XHDPSFHLSA-N -1 0 361.394 2.492 50 0 biogenic FEAARM CCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002094505 210379896 /nfs/dbraw/zinc/37/98/96/210379896.db2.gz LGRLFDAKTSTCQD-CQSZACIVSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000001795957 210371524 /nfs/dbraw/zinc/37/15/24/210371524.db2.gz BGORJJLXLJKFMJ-JTQLQIEISA-N -1 0 357.375 2.190 50 0 FEAARM Cc1nc2sc(-c3ccccc3)cc2c(N[C@@H](CC(N)=O)C(=O)[O-])n1 ZINC000020315037 220320429 /nfs/dbraw/zinc/32/04/29/220320429.db2.gz LKHJTXLHPYVCJJ-LBPRGKRZSA-N -1 0 356.407 2.407 50 0 FEAARM O=C(COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1)Nc1ccc(F)cc1 ZINC000001053401 210309985 /nfs/dbraw/zinc/30/99/85/210309985.db2.gz QKWMHDGHMLIKAO-OQLLNIDSSA-N -1 0 355.325 2.024 50 0 FEAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1 ZINC000000998428 210300790 /nfs/dbraw/zinc/30/07/90/210300790.db2.gz GFLSHJYDMGISAC-UHFFFAOYSA-N -1 0 358.379 2.431 50 0 FEAARM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC000000994046 210300384 /nfs/dbraw/zinc/30/03/84/210300384.db2.gz BWCASPOOVOJDCA-UHFFFAOYSA-N -1 0 362.407 2.162 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000850266 210280654 /nfs/dbraw/zinc/28/06/54/210280654.db2.gz KMXUMKJCFVJLTH-UHFFFAOYSA-N -1 0 354.428 2.055 50 0 FEAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578180 220391414 /nfs/dbraw/zinc/39/14/14/220391414.db2.gz DEJNIXBXQUSREJ-AWEZNQCLSA-N -1 0 361.471 2.379 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)o2)cc1OC ZINC000065246165 221185926 /nfs/dbraw/zinc/18/59/26/221185926.db2.gz VZTYQBCZJWWNQT-UHFFFAOYSA-N -1 0 365.367 2.456 50 0 FEAARM CCn1nc(C)n2cc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cc2c1=O ZINC000065247048 221186959 /nfs/dbraw/zinc/18/69/59/221186959.db2.gz BMJDKOVTYGKJAC-UHFFFAOYSA-N -1 0 364.402 2.073 50 0 FEAARM CC(C)N1CCn2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1=O ZINC000065254776 221188407 /nfs/dbraw/zinc/18/84/07/221188407.db2.gz FYCNCZNEULHVPB-UHFFFAOYSA-N -1 0 351.403 2.292 50 0 FEAARM Cc1n[nH]c(C)c1[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000067688580 221270663 /nfs/dbraw/zinc/27/06/63/221270663.db2.gz DTIXCPGLWRCDEQ-OAHLLOKOSA-N -1 0 351.428 2.254 50 0 FEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1N1CCOC1=O ZINC000067988219 221313205 /nfs/dbraw/zinc/31/32/05/221313205.db2.gz KOQZDZIFCMMAAC-CHWSQXEVSA-N -1 0 360.366 2.257 50 0 FEAARM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1CC(=O)NC1CC1 ZINC000071288802 221340010 /nfs/dbraw/zinc/34/00/10/221340010.db2.gz PPALYGKULLSOBM-UHFFFAOYSA-N -1 0 352.390 2.387 50 0 FEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1N1CCCC1=O ZINC000071798131 221377011 /nfs/dbraw/zinc/37/70/11/221377011.db2.gz FZQLMLSZQZVWKG-KGLIPLIRSA-N -1 0 358.394 2.428 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)Cc1ccc(C)c(C)c1)CC2 ZINC000082161653 542686365 /nfs/dbraw/zinc/68/63/65/542686365.db2.gz UOGUSZZEQHRJDE-SFHVURJKSA-N -1 0 372.465 2.160 50 0 FEAARM Cc1cc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])nc(-c2ccccc2)n1 ZINC000095379343 132209395 /nfs/dbraw/zinc/20/93/95/132209395.db2.gz PJAKPZQUBXSJSB-OAHLLOKOSA-N -1 0 366.421 2.012 50 0 FEAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000091951482 542834074 /nfs/dbraw/zinc/83/40/74/542834074.db2.gz LTCSMZDYORWBRS-IBGZPJMESA-N -1 0 359.426 2.311 50 0 FEAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000095349578 542957155 /nfs/dbraw/zinc/95/71/55/542957155.db2.gz ISPSADXAEWNFEC-GDBMZVCRSA-N -1 0 358.438 2.500 50 0 FEAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000095353287 542957737 /nfs/dbraw/zinc/95/77/37/542957737.db2.gz BIJKYPWYKXZUAM-OAHLLOKOSA-N -1 0 368.389 2.142 50 0 FEAARM CCc1nc2ccccc2n1CC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC000095424925 542968927 /nfs/dbraw/zinc/96/89/27/542968927.db2.gz MHBSMTZYJPCUAJ-UHFFFAOYSA-N -1 0 357.332 2.464 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1 ZINC000095513384 542978107 /nfs/dbraw/zinc/97/81/07/542978107.db2.gz LFRWYBPGPQOFBS-UHFFFAOYSA-N -1 0 350.440 2.101 50 0 FEAARM CC(=O)c1cccc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1 ZINC000095356756 221857826 /nfs/dbraw/zinc/85/78/26/221857826.db2.gz KJLJPWFDNPAWJT-IBGZPJMESA-N -1 0 353.422 2.228 50 0 FEAARM COCc1cccc([C@H](C(=O)[O-])N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000095383494 221888192 /nfs/dbraw/zinc/88/81/92/221888192.db2.gz JJQPRUSUVJRLLG-QGZVFWFLSA-N -1 0 374.462 2.478 50 0 FEAARM Cn1cccc1-c1cc(C(=O)N[C@@]2(C(=O)[O-])CCCc3ccccc32)[nH]n1 ZINC000095521462 221947166 /nfs/dbraw/zinc/94/71/66/221947166.db2.gz GJRDEEWRZRFZHA-FQEVSTJZSA-N -1 0 364.405 2.461 50 0 FEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1 ZINC000096286249 222111335 /nfs/dbraw/zinc/11/13/35/222111335.db2.gz YCXKKZDIAITHHX-SJORKVTESA-N -1 0 350.378 2.497 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000096221940 222085221 /nfs/dbraw/zinc/08/52/21/222085221.db2.gz REUQZQYQUMYSGN-SFHVURJKSA-N -1 0 364.401 2.457 50 0 FEAARM O=C([O-])Cn1nc(C2CCCC2)nc1CCS(=O)(=O)c1ccccc1 ZINC000097729554 222207368 /nfs/dbraw/zinc/20/73/68/222207368.db2.gz GFXVDTMSDFONCA-UHFFFAOYSA-N -1 0 363.439 2.037 50 0 FEAARM CCCc1nnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)s1 ZINC000100663014 222249531 /nfs/dbraw/zinc/24/95/31/222249531.db2.gz CULYDDIZTWJTLE-UHFFFAOYSA-N -1 0 356.407 2.320 50 0 FEAARM CCNC(=O)N1C(=O)C(=C([O-])c2cnc(C)cn2)c2cc(Cl)ccc21 ZINC000101173082 222265304 /nfs/dbraw/zinc/26/53/04/222265304.db2.gz RXWCGCFBRUGBBD-AWEZNQCLSA-N -1 0 358.785 2.481 50 0 FEAARM COC(=O)c1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000102828839 222310570 /nfs/dbraw/zinc/31/05/70/222310570.db2.gz KWRRCGDTDFRHEH-UHFFFAOYSA-N -1 0 369.402 2.261 50 0 FEAARM O=C([O-])[C@H]1CN(c2nc3ccccc3s2)CCN1Cc1ccccn1 ZINC000107025495 222389990 /nfs/dbraw/zinc/38/99/90/222389990.db2.gz RHOUIYNJZYFCEB-OAHLLOKOSA-N -1 0 354.435 2.467 50 0 FEAARM O=C([O-])[C@H]1CN(c2nc3ccccc3s2)CCN1Cc1cccnc1 ZINC000107020938 222389997 /nfs/dbraw/zinc/38/99/97/222389997.db2.gz VVBGLQZQAITJHT-OAHLLOKOSA-N -1 0 354.435 2.467 50 0 FEAARM Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263090654 328914935 /nfs/dbraw/zinc/91/49/35/328914935.db2.gz SNNVSMGLPANFHS-HNNXBMFYSA-N -1 0 357.410 2.291 50 0 FEAARM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)c1cc3cc(F)ccc3s1)C2 ZINC000263374881 328936387 /nfs/dbraw/zinc/93/63/87/328936387.db2.gz AQYWEVXRIJRSHR-LLVKDONJSA-N -1 0 360.370 2.050 50 0 FEAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCc2ccc3c(c2)OCO3)C1=O ZINC000020332788 520559605 /nfs/dbraw/zinc/55/96/05/520559605.db2.gz PCDPJLVUTDQZOM-DTQAZKPQSA-N -1 0 373.409 2.048 50 0 FEAARM COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1OCc1cscn1 ZINC000262704064 522079059 /nfs/dbraw/zinc/07/90/59/522079059.db2.gz MCIORERPEFPLKK-ZDUSSCGKSA-N -1 0 362.407 2.420 50 0 FEAARM COCc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])sc2cccc(F)c21 ZINC000268993777 522897280 /nfs/dbraw/zinc/89/72/80/522897280.db2.gz UKCLTVWQQJYJLY-NSHDSACASA-N -1 0 353.371 2.112 50 0 FEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237596770 525366792 /nfs/dbraw/zinc/36/67/92/525366792.db2.gz QTPJMTXEQNVSJK-WCQYABFASA-N -1 0 372.343 2.038 50 0 FEAARM Cc1cnc(C)c(N2CCN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2)n1 ZINC000216509297 525984516 /nfs/dbraw/zinc/98/45/16/525984516.db2.gz YOJQGCQQILJFJW-INIZCTEOSA-N -1 0 370.453 2.268 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000268946793 526290354 /nfs/dbraw/zinc/29/03/54/526290354.db2.gz PCPGZPIEIBJHDH-AXTRIDKLSA-N -1 0 369.215 2.408 50 0 FEAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000268974499 526332581 /nfs/dbraw/zinc/33/25/81/526332581.db2.gz IZYBWDUEFOYKDW-MRVPVSSYSA-N -1 0 358.828 2.451 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 ZINC000238154749 527625908 /nfs/dbraw/zinc/62/59/08/527625908.db2.gz SSKLYLSQLNLKCJ-HUUCEWRRSA-N -1 0 372.446 2.429 50 0 FEAARM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cccc1-c1ccccn1 ZINC000158079945 545821003 /nfs/dbraw/zinc/82/10/03/545821003.db2.gz BWGUNCLPDLOVJB-CQSZACIVSA-N -1 0 360.435 2.153 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000170609399 546164536 /nfs/dbraw/zinc/16/45/36/546164536.db2.gz RILPGHDHUHYZKJ-OLZOCXBDSA-N -1 0 365.842 2.091 50 0 FEAARM Cc1cc(=O)n2nc(CNC(=O)c3cc4ccccc4c(Cl)n3)[n-]c2n1 ZINC000170617758 546166157 /nfs/dbraw/zinc/16/61/57/546166157.db2.gz LMNMSUXJXYIOCX-UHFFFAOYSA-N -1 0 368.784 2.270 50 0 FEAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ncnn32)cc1 ZINC000170625867 546166880 /nfs/dbraw/zinc/16/68/80/546166880.db2.gz ANDCCPWDFKAUQF-CQSZACIVSA-N -1 0 352.350 2.368 50 0 FEAARM CC[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000170652275 546168666 /nfs/dbraw/zinc/16/86/66/546168666.db2.gz VHDGMCTYCOYDCO-GFCCVEGCSA-N -1 0 356.375 2.093 50 0 FEAARM O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000216342173 548677783 /nfs/dbraw/zinc/67/77/83/548677783.db2.gz ZOVWBMAYJUMSGR-UHFFFAOYSA-N -1 0 373.416 2.340 50 0 FEAARM Cc1ccc(-c2cccc(C(=O)N[C@@H]3COCC[C@@H]3OCC(=O)[O-])c2)o1 ZINC000220436846 548699785 /nfs/dbraw/zinc/69/97/85/548699785.db2.gz LGQGANHSBIAFAG-WBVHZDCISA-N -1 0 359.378 2.244 50 0 FEAARM CN(C)c1ncc(Br)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000237064347 548798053 /nfs/dbraw/zinc/79/80/53/548798053.db2.gz QZDQBQKPAMQYRH-UHFFFAOYSA-N -1 0 370.247 2.283 50 0 FEAARM COc1ccc(Br)cc1CCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237121438 548801772 /nfs/dbraw/zinc/80/17/72/548801772.db2.gz JEJJDPWWUXJRFF-GFCCVEGCSA-N -1 0 356.216 2.466 50 0 FEAARM Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000237244755 548811285 /nfs/dbraw/zinc/81/12/85/548811285.db2.gz GKVNXSFPBGXGNQ-UHFFFAOYSA-N -1 0 364.423 2.299 50 0 FEAARM Cc1oc(-c2ccco2)nc1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237655575 548842108 /nfs/dbraw/zinc/84/21/08/548842108.db2.gz PMJOQWIIMQECDO-ZDUSSCGKSA-N -1 0 362.382 2.268 50 0 FEAARM Cc1cc(-n2cncn2)ccc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237805773 548854401 /nfs/dbraw/zinc/85/44/01/548854401.db2.gz VFPGLHKTRJWAAF-JQFCIGGWSA-N -1 0 354.410 2.434 50 0 FEAARM C[C@@]12CC[C@H]3[C@@]45CO[C@@]3(CC[C@@]4(O)C[C@@H](O)CC5)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253596017 549697458 /nfs/dbraw/zinc/69/74/58/549697458.db2.gz MAUIYISYPHUCFP-VMGBWFIJSA-N -1 0 350.455 2.339 50 0 FEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(F)cc1 ZINC000265624410 550012885 /nfs/dbraw/zinc/01/28/85/550012885.db2.gz YMCUDMQLQHPILK-XJKSGUPXSA-N -1 0 374.368 2.099 50 0 FEAARM Cc1ccc(-n2[n-]c(C(=O)NCc3nccc(C(F)F)n3)cc2=O)cc1 ZINC000492635115 561452120 /nfs/dbraw/zinc/45/21/20/561452120.db2.gz YBUZVSHPDIEBTP-UHFFFAOYSA-N -1 0 359.336 2.132 50 0 FEAARM CC(C)[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(=O)(=O)C1CCCCC1 ZINC000299743416 553610074 /nfs/dbraw/zinc/61/00/74/553610074.db2.gz KZMAHCZVDKOLMY-RHSMWYFYSA-N -1 0 359.488 2.082 50 0 FEAARM COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000299749917 553610279 /nfs/dbraw/zinc/61/02/79/553610279.db2.gz MBHAICDXSUFNFL-CHWSQXEVSA-N -1 0 367.829 2.234 50 0 FEAARM COc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1C(=O)[O-] ZINC000299752184 553610613 /nfs/dbraw/zinc/61/06/13/553610613.db2.gz STMDKAAFXHYMMC-CYBMUJFWSA-N -1 0 372.352 2.275 50 0 FEAARM COc1ccc(CNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)cc1C(=O)[O-] ZINC000299750639 553610649 /nfs/dbraw/zinc/61/06/49/553610649.db2.gz OELXDUHWDQCTOM-SNVBAGLBSA-N -1 0 370.361 2.043 50 0 FEAARM C[C@H]1CN(c2ccc(C(=O)N=c3cc(C(F)(F)F)[n-][nH]3)cn2)C[C@H](C)O1 ZINC000332144143 554389327 /nfs/dbraw/zinc/38/93/27/554389327.db2.gz NENMBOPTQAHSCJ-UWVGGRQHSA-N -1 0 369.347 2.689 50 0 FEAARM C[C@H]1Cc2cc(S(=O)(=O)n3[n-]c(=N)nc3C3CCC3)cc(Cl)c2O1 ZINC000408525863 558685750 /nfs/dbraw/zinc/68/57/50/558685750.db2.gz SPKADWNCQWCOBL-QMMMGPOBSA-N -1 0 368.846 2.342 50 0 FEAARM C[C@H](c1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1)N1CCOCC1 ZINC000603659366 568134391 /nfs/dbraw/zinc/13/43/91/568134391.db2.gz YWYMCUHNMRJXOE-CYBMUJFWSA-N -1 0 355.394 2.425 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000217521182 568189558 /nfs/dbraw/zinc/18/95/58/568189558.db2.gz MKVMPMTXDKMQLI-KRWDZBQOSA-N -1 0 366.348 2.319 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000583650483 570812117 /nfs/dbraw/zinc/81/21/17/570812117.db2.gz COJAUXLQPRNXTN-GLQYFDAESA-N -1 0 372.450 2.387 50 0 FEAARM O=C([O-])COc1ccc(CCNC(=O)[C@@H]2CSc3ccccc3O2)cc1 ZINC000583650522 570812123 /nfs/dbraw/zinc/81/21/23/570812123.db2.gz AFRSGJDQYZEITI-INIZCTEOSA-N -1 0 373.430 2.362 50 0 FEAARM CSc1cccc(NC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c1 ZINC000102990654 570842793 /nfs/dbraw/zinc/84/27/93/570842793.db2.gz WNNURPMWFZHZCQ-UHFFFAOYSA-N -1 0 355.423 2.335 50 0 FEAARM O=C(c1ccc(C(F)(F)F)cc1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102989992 570860956 /nfs/dbraw/zinc/86/09/56/570860956.db2.gz CATJFXGIBJCTJX-UHFFFAOYSA-N -1 0 362.311 2.240 50 0 FEAARM CSc1ccc(NC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)cc1 ZINC000102990671 570861551 /nfs/dbraw/zinc/86/15/51/570861551.db2.gz IQNKYZJZPTVBMP-UHFFFAOYSA-N -1 0 355.423 2.335 50 0 FEAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000118148475 571175455 /nfs/dbraw/zinc/17/54/55/571175455.db2.gz OFJHJRRSQYIKOT-OTYXRUKQSA-N -1 0 352.799 2.105 50 0 FEAARM C[C@@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CO1 ZINC000668291988 679162725 /nfs/dbraw/zinc/16/27/25/679162725.db2.gz ZVCFKVYDHAKGDB-ZYHUDNBSSA-N -1 0 356.216 2.287 50 0 FEAARM C[C@@](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)(C(=O)[O-])c1ccccc1 ZINC000663141295 939857538 /nfs/dbraw/zinc/85/75/38/939857538.db2.gz JZKZBXDINOEVEM-IBGZPJMESA-N -1 0 354.362 2.036 50 0 FEAARM O=C([O-])COc1ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000001799835 210226095 /nfs/dbraw/zinc/22/60/95/210226095.db2.gz YELRFLUKQXWUQI-UHFFFAOYSA-N -1 0 358.346 2.442 50 0 biogenic FEAARM Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)[O-])CC3)cc2oc1=O ZINC000002116764 539344700 /nfs/dbraw/zinc/34/47/00/539344700.db2.gz OWEDAMDWUSCDJX-UHFFFAOYSA-N -1 0 359.378 2.112 50 0 biogenic FEAARM CCn1c(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002145000 539345944 /nfs/dbraw/zinc/34/59/44/539345944.db2.gz IQROFDNPECNEHP-NSHDSACASA-N -1 0 364.379 2.321 50 0 biogenic FEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnn(Cc2cccc(Cl)c2)c1 ZINC000002805115 539353935 /nfs/dbraw/zinc/35/39/35/539353935.db2.gz IHTAKTOVPMGDLT-UHFFFAOYSA-N -1 0 365.846 2.428 50 0 FEAARM O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1cccs1 ZINC000002968787 539357620 /nfs/dbraw/zinc/35/76/20/539357620.db2.gz OKOQMTCJRSXFNG-ZDUSSCGKSA-N -1 0 370.459 2.122 50 0 FEAARM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1NC(C)=O ZINC000003326864 539363834 /nfs/dbraw/zinc/36/38/34/539363834.db2.gz ULQCWPUXPNPUAF-UHFFFAOYSA-N -1 0 364.379 2.153 50 0 FEAARM CSCC[C@@H](NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C)C(=O)[O-] ZINC000003425801 539366325 /nfs/dbraw/zinc/36/63/25/539366325.db2.gz BEXLEGSMNGQUSD-CABCVRRESA-N -1 0 366.483 2.072 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1 ZINC000003656740 539373232 /nfs/dbraw/zinc/37/32/32/539373232.db2.gz CYGWMAXTGWIDCX-UHFFFAOYSA-N -1 0 351.361 2.354 50 0 FEAARM C[C@@H](Sc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C)C(=O)[O-] ZINC000003883121 539373506 /nfs/dbraw/zinc/37/35/06/539373506.db2.gz KEOSXTLXKTVZMO-GFCCVEGCSA-N -1 0 370.434 2.257 50 0 FEAARM C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000004029837 539374952 /nfs/dbraw/zinc/37/49/52/539374952.db2.gz AQAFOSZWMMKKCF-QWRGUYRKSA-N -1 0 359.378 2.028 50 0 biogenic FEAARM CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC[C@@H]3C(=O)[O-])c12 ZINC000004063453 539375204 /nfs/dbraw/zinc/37/52/04/539375204.db2.gz NAVWWJGPEUWRJI-CYBMUJFWSA-N -1 0 359.378 2.118 50 0 biogenic FEAARM COc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000004483504 539385550 /nfs/dbraw/zinc/38/55/50/539385550.db2.gz RFSQOFVYIFSGDE-CVEARBPZSA-N -1 0 354.341 2.328 50 0 FEAARM Cc1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000006810088 539438106 /nfs/dbraw/zinc/43/81/06/539438106.db2.gz MIFJNPHKAKCNSD-CABCVRRESA-N -1 0 355.398 2.356 50 0 FEAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c(=O)n12 ZINC000006823538 539438816 /nfs/dbraw/zinc/43/88/16/539438816.db2.gz BVSSZOBJGKASQR-UHFFFAOYSA-N -1 0 353.400 2.313 50 0 FEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)cn1C ZINC000006887404 539440334 /nfs/dbraw/zinc/44/03/34/539440334.db2.gz FSMPXXOFEIRKKY-UHFFFAOYSA-N -1 0 373.228 2.375 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000007325533 539454767 /nfs/dbraw/zinc/45/47/67/539454767.db2.gz UBPOYEJKBMDVQC-UHFFFAOYSA-N -1 0 374.418 2.166 50 0 FEAARM CCCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000008111066 539476915 /nfs/dbraw/zinc/47/69/15/539476915.db2.gz JIADTMWZYYPNKB-UHFFFAOYSA-N -1 0 368.480 2.396 50 0 FEAARM COc1ccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=O)n(CC(C)C)c3n2)cc1 ZINC000008395195 539486113 /nfs/dbraw/zinc/48/61/13/539486113.db2.gz GRNPWJAOUPKSAL-UHFFFAOYSA-N -1 0 369.377 2.115 50 0 FEAARM COc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)c(Cl)c3=O)cc1OC ZINC000009202671 539498540 /nfs/dbraw/zinc/49/85/40/539498540.db2.gz KACVHIAJIKWQAO-UHFFFAOYSA-N -1 0 363.761 2.061 50 0 FEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000009550322 539504246 /nfs/dbraw/zinc/50/42/46/539504246.db2.gz ZJQSAPMBSBOGDX-INIZCTEOSA-N -1 0 365.389 2.188 50 0 FEAARM CC(C)n1c2nnc(-c3ccc(Cl)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000010963784 539522729 /nfs/dbraw/zinc/52/27/29/539522729.db2.gz GEUIQVVCELRSQT-UHFFFAOYSA-N -1 0 358.789 2.385 50 0 FEAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000011905416 539538556 /nfs/dbraw/zinc/53/85/56/539538556.db2.gz UJPJCKQAAAWFHK-UHFFFAOYSA-N -1 0 354.819 2.175 50 0 FEAARM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000012521244 539561980 /nfs/dbraw/zinc/56/19/80/539561980.db2.gz AXORMKIMGWHRCM-UHFFFAOYSA-N -1 0 374.871 2.439 50 0 FEAARM Cc1ncsc1CCC(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000299799970 210040078 /nfs/dbraw/zinc/04/00/78/210040078.db2.gz YBHMGDFHIOCNFX-UHFFFAOYSA-N -1 0 362.455 2.141 50 0 FEAARM Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2CC(=O)[O-])c1 ZINC000012779005 539573842 /nfs/dbraw/zinc/57/38/42/539573842.db2.gz MZYKPCCLIHJYHC-UHFFFAOYSA-N -1 0 374.466 2.489 50 0 FEAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000021756731 539687044 /nfs/dbraw/zinc/68/70/44/539687044.db2.gz LPFGJZHJTCSLNS-UHFFFAOYSA-N -1 0 366.464 2.475 50 0 FEAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000024989660 539746070 /nfs/dbraw/zinc/74/60/70/539746070.db2.gz BHSIIAWCDVWRDT-UHFFFAOYSA-N -1 0 364.354 2.209 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1C(=O)[O-] ZINC000026539653 539788933 /nfs/dbraw/zinc/78/89/33/539788933.db2.gz VDQUGCJSEAMTTD-UHFFFAOYSA-N -1 0 358.379 2.075 50 0 FEAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000001023040 219354239 /nfs/dbraw/zinc/35/42/39/219354239.db2.gz YGUGABHARSUMMV-NTUHNPAUSA-N -1 0 358.325 2.010 50 0 FEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000032087904 539927717 /nfs/dbraw/zinc/92/77/17/539927717.db2.gz DUWLOQMNQCWCFS-UHFFFAOYSA-N -1 0 360.391 2.379 50 0 FEAARM Cc1nonc1CN1CCN([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000032095854 539929301 /nfs/dbraw/zinc/92/93/01/539929301.db2.gz VZTDDUDXCHUNKJ-GOSISDBHSA-N -1 0 369.425 2.111 50 0 FEAARM CCOc1cc(NC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1OC ZINC000225487839 222845266 /nfs/dbraw/zinc/84/52/66/222845266.db2.gz ITDDMHWBYBLMSE-ABAIWWIYSA-N -1 0 352.387 2.095 50 0 FEAARM O=C(CCc1nnc(-c2cccc(F)c2)[n-]c1=O)NCc1ccccn1 ZINC000034768585 539977661 /nfs/dbraw/zinc/97/76/61/539977661.db2.gz SXOZYHFEXHAFGC-UHFFFAOYSA-N -1 0 353.357 2.027 50 0 FEAARM CCC[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)[O-] ZINC000035686284 539983853 /nfs/dbraw/zinc/98/38/53/539983853.db2.gz XVENMZYTNOZWKE-CQSZACIVSA-N -1 0 361.394 2.412 50 0 FEAARM O=S(=O)([N-]c1nncs1)c1cc(Br)cnc1Cl ZINC000041069648 540012298 /nfs/dbraw/zinc/01/22/98/540012298.db2.gz NHXBDGLCQKNIIG-UHFFFAOYSA-N -1 0 355.626 2.150 50 0 FEAARM O=C([O-])CCN(C(=O)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000238065368 222913846 /nfs/dbraw/zinc/91/38/46/222913846.db2.gz NCEGXONJJQIVNX-UHFFFAOYSA-N -1 0 370.243 2.474 50 0 FEAARM C[C@H](CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1)C(=O)[O-] ZINC000237388942 222906627 /nfs/dbraw/zinc/90/66/27/222906627.db2.gz NVLSJRMYMDNSIK-SNVBAGLBSA-N -1 0 352.822 2.056 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000042268786 540056842 /nfs/dbraw/zinc/05/68/42/540056842.db2.gz DPYYXBYHDPJFLC-UHFFFAOYSA-N -1 0 371.773 2.369 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccc3c(c2)OCCO3)s1 ZINC000042318257 540058325 /nfs/dbraw/zinc/05/83/25/540058325.db2.gz DOQAJVWHISMQBA-GQCTYLIASA-N -1 0 365.432 2.346 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000055042695 540623377 /nfs/dbraw/zinc/62/33/77/540623377.db2.gz PGQTUCHDCHXBGF-GFCCVEGCSA-N -1 0 351.424 2.263 50 0 FEAARM O=S(=O)([N-]c1cccn2nc(C3CC3)nc12)c1cccc2nsnc21 ZINC000065283999 541232964 /nfs/dbraw/zinc/23/29/64/541232964.db2.gz GFCMQBJICRCDLO-UHFFFAOYSA-N -1 0 372.435 2.412 50 0 FEAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1noc(-c3ccccc3)n1)CC2 ZINC000072169940 541795197 /nfs/dbraw/zinc/79/51/97/541795197.db2.gz HSCJYKPMHWQCBY-HNNXBMFYSA-N -1 0 370.409 2.029 50 0 FEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000064611642 212042148 /nfs/dbraw/zinc/04/21/48/212042148.db2.gz CSWTYMKTCGEGDW-JKSUJKDBSA-N -1 0 374.462 2.481 50 0 FEAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000072434978 541813297 /nfs/dbraw/zinc/81/32/97/541813297.db2.gz VUSWQEJSNCTPHM-OAHLLOKOSA-N -1 0 351.374 2.219 50 0 FEAARM Cc1cnn(CCC(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c1 ZINC000072457514 541817141 /nfs/dbraw/zinc/81/71/41/541817141.db2.gz PVKZMQMHLSPFNS-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM Cc1nccn1[C@@H](C)C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072475941 541819700 /nfs/dbraw/zinc/81/97/00/541819700.db2.gz CNRLANKVALPOFH-AWEZNQCLSA-N -1 0 357.410 2.277 50 0 FEAARM O=C([O-])CCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000049545135 211889224 /nfs/dbraw/zinc/88/92/24/211889224.db2.gz GYLRMHSTLMNDRV-UHFFFAOYSA-N -1 0 365.389 2.045 50 0 FEAARM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000013093815 220057385 /nfs/dbraw/zinc/05/73/85/220057385.db2.gz SHVZTXSYYVGTCA-VIFPVBQESA-N -1 0 355.309 2.487 50 0 FEAARM COC1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1 ZINC000013454879 220067970 /nfs/dbraw/zinc/06/79/70/220067970.db2.gz MGEANMTYCKRLSF-UHFFFAOYSA-N -1 0 368.238 2.491 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCO1 ZINC000299749289 211829467 /nfs/dbraw/zinc/82/94/67/211829467.db2.gz JVMYPHZKILHXFT-HNNXBMFYSA-N -1 0 367.829 2.090 50 0 FEAARM CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299747048 211825458 /nfs/dbraw/zinc/82/54/58/211825458.db2.gz BZBUEBZJJGOTPF-BLLLJJGKSA-N -1 0 357.353 2.070 50 0 FEAARM CCOc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)ccc1OC(F)F ZINC000020616450 211292121 /nfs/dbraw/zinc/29/21/21/211292121.db2.gz BEBUXXIRIOXGKM-UHFFFAOYSA-N -1 0 355.297 2.371 50 0 FEAARM COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000013637980 211044900 /nfs/dbraw/zinc/04/49/00/211044900.db2.gz RQCACULQNOAZMW-UHFFFAOYSA-N -1 0 368.440 2.081 50 0 FEAARM CCN(Cc1nc(=O)c2sccc2[n-]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013637643 211044131 /nfs/dbraw/zinc/04/41/31/211044131.db2.gz BOBNYUAVAOPMAV-UHFFFAOYSA-N -1 0 367.434 2.243 50 0 FEAARM CS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389798 211031889 /nfs/dbraw/zinc/03/18/89/211031889.db2.gz KZVYUHCJERMSTC-LBPRGKRZSA-N -1 0 353.421 2.097 50 0 FEAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000013267464 211029472 /nfs/dbraw/zinc/02/94/72/211029472.db2.gz PFXGOUKSPAWHHE-UHFFFAOYSA-N -1 0 353.318 2.071 50 0 FEAARM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000012928172 211008623 /nfs/dbraw/zinc/00/86/23/211008623.db2.gz XSVKFJMZRCJXIB-UHFFFAOYSA-N -1 0 367.354 2.200 50 0 FEAARM CC[C@H](C)[C@@H](NC(=O)CSc1nnc(NCC(C)C)s1)C(=O)[O-] ZINC000012764554 210990199 /nfs/dbraw/zinc/99/01/99/210990199.db2.gz FHSBFVYPKANALJ-GXSJLCMTSA-N -1 0 360.505 2.314 50 0 FEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cn1C ZINC000006777883 210699092 /nfs/dbraw/zinc/69/90/92/210699092.db2.gz QUYZUGNHEDXVTJ-UHFFFAOYSA-N -1 0 368.411 2.020 50 0 FEAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004576975 210542659 /nfs/dbraw/zinc/54/26/59/210542659.db2.gz ILVSDKKZQSSNPC-GFCCVEGCSA-N -1 0 363.420 2.186 50 0 FEAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCCC(=O)[O-])c(C)c2oc1=O ZINC000002155007 210381933 /nfs/dbraw/zinc/38/19/33/210381933.db2.gz HDHZUYKCECICBX-CYBMUJFWSA-N -1 0 361.394 2.467 50 0 biogenic FEAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(C)=O)s2)cc1OC ZINC000019974540 220309341 /nfs/dbraw/zinc/30/93/41/220309341.db2.gz OIPAICUADJPGEG-UHFFFAOYSA-N -1 0 356.425 2.472 50 0 FEAARM CC[C@H](C)n1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020611941 220336200 /nfs/dbraw/zinc/33/62/00/220336200.db2.gz XWJGEPHQRHMSAS-GTNSWQLSSA-N -1 0 368.437 2.272 50 0 FEAARM CSCc1noc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)n1 ZINC000077437236 542381826 /nfs/dbraw/zinc/38/18/26/542381826.db2.gz FTCRJECUQAJGMD-UHFFFAOYSA-N -1 0 358.383 2.095 50 0 FEAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ncn2)cc1 ZINC000001056190 210309945 /nfs/dbraw/zinc/30/99/45/210309945.db2.gz VIWQDLNYJJQIEN-UHFFFAOYSA-N -1 0 350.400 2.025 50 0 FEAARM COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC ZINC000000947080 210294186 /nfs/dbraw/zinc/29/41/86/210294186.db2.gz MUZUXRFKLNSQTA-CQSZACIVSA-N -1 0 359.378 2.138 50 0 biogenic,in-vitro FEAARM O=C([O-])CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000874550 210284071 /nfs/dbraw/zinc/28/40/71/210284071.db2.gz IZEIESVXVPLADJ-UHFFFAOYSA-N -1 0 366.342 2.472 50 0 FEAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458782 220387055 /nfs/dbraw/zinc/38/70/55/220387055.db2.gz IXCNBQPSPJNLEH-HNNXBMFYSA-N -1 0 357.483 2.450 50 0 FEAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157461 220417281 /nfs/dbraw/zinc/41/72/81/220417281.db2.gz WLWTXSXUYFQJLW-AWEZNQCLSA-N -1 0 362.430 2.490 50 0 FEAARM CCc1nn(C)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cn21 ZINC000065247238 221186610 /nfs/dbraw/zinc/18/66/10/221186610.db2.gz VIGVBLXFNXZRTN-UHFFFAOYSA-N -1 0 360.439 2.013 50 0 FEAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cn21 ZINC000065247273 221187328 /nfs/dbraw/zinc/18/73/28/221187328.db2.gz RTUXWSMCFLHINA-UHFFFAOYSA-N -1 0 364.402 2.018 50 0 FEAARM CC(C)N1CCn2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065254770 221188577 /nfs/dbraw/zinc/18/85/77/221188577.db2.gz DBESUMVVKQFSIX-UHFFFAOYSA-N -1 0 369.393 2.431 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](c1coc3ccc(C)cc3c1=O)CC(=O)N2 ZINC000065497300 221227124 /nfs/dbraw/zinc/22/71/24/221227124.db2.gz IRNCHLJILIVNBM-LLVKDONJSA-N -1 0 367.361 2.165 50 0 FEAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1coc3ccc(C)cc3c1=O)CC(=O)N2 ZINC000065497295 221227310 /nfs/dbraw/zinc/22/73/10/221227310.db2.gz IRNCHLJILIVNBM-NSHDSACASA-N -1 0 367.361 2.165 50 0 FEAARM COc1ccccc1C1(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CC1 ZINC000069419102 221324604 /nfs/dbraw/zinc/32/46/04/221324604.db2.gz LWMBHKALRGVMLY-UHFFFAOYSA-N -1 0 372.446 2.151 50 0 FEAARM CC1(C)[C@H](C(=O)Nc2ccccc2C(=O)N2CCSCC2)[C@@H]1C(=O)[O-] ZINC000071282147 221338122 /nfs/dbraw/zinc/33/81/22/221338122.db2.gz BNDYOXXKHWLFCF-UONOGXRCSA-N -1 0 362.451 2.171 50 0 FEAARM Cc1ncsc1CCC(=O)N1CCN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000095358463 132207481 /nfs/dbraw/zinc/20/74/81/132207481.db2.gz LAZIWUBQNKZMNL-HNNXBMFYSA-N -1 0 359.451 2.186 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000238132916 132249013 /nfs/dbraw/zinc/24/90/13/132249013.db2.gz SNTGDWIPYCMZGI-UHFFFAOYSA-N -1 0 358.369 2.291 50 0 FEAARM CC(C)(C)OC(=O)N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000091296981 542803625 /nfs/dbraw/zinc/80/36/25/542803625.db2.gz PJBKUXHWPDGAQA-CYBMUJFWSA-N -1 0 368.455 2.014 50 0 FEAARM O=C([O-])c1cccc(C[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C2)c1 ZINC000091289361 542804113 /nfs/dbraw/zinc/80/41/13/542804113.db2.gz LAKBCWZGRBWTPZ-INIZCTEOSA-N -1 0 366.483 2.370 50 0 FEAARM Cc1cccc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1 ZINC000091551017 542812812 /nfs/dbraw/zinc/81/28/12/542812812.db2.gz RXFVRSCAEYKQHL-OAHLLOKOSA-N -1 0 358.438 2.313 50 0 FEAARM Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)c1 ZINC000091644863 542818047 /nfs/dbraw/zinc/81/80/47/542818047.db2.gz SXDCTRXCFGGPSE-INIZCTEOSA-N -1 0 372.465 2.242 50 0 FEAARM Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c(C)o1 ZINC000091858575 542829130 /nfs/dbraw/zinc/82/91/30/542829130.db2.gz JZLNROQGLAOZBG-CYBMUJFWSA-N -1 0 362.426 2.214 50 0 FEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 ZINC000091997786 542835658 /nfs/dbraw/zinc/83/56/58/542835658.db2.gz LPWUNYCDYMGVPQ-SFHVURJKSA-N -1 0 353.390 2.194 50 0 FEAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c1 ZINC000058365299 136131615 /nfs/dbraw/zinc/13/16/15/136131615.db2.gz LRSRSFYHLMBQBM-UHFFFAOYSA-N -1 0 366.414 2.477 50 0 FEAARM Cc1csc2c1ncnc2N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067783885 136137697 /nfs/dbraw/zinc/13/76/97/136137697.db2.gz ZAJNRSJHOHQJIU-NSHDSACASA-N -1 0 358.427 2.206 50 0 FEAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)cc1 ZINC000095363958 542960460 /nfs/dbraw/zinc/96/04/60/542960460.db2.gz UHJGKVJVDUCENW-KRWDZBQOSA-N -1 0 358.438 2.493 50 0 FEAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000095376677 542964667 /nfs/dbraw/zinc/96/46/67/542964667.db2.gz DMXKMYFIOAPQMO-LBPRGKRZSA-N -1 0 374.334 2.400 50 0 FEAARM CCC[C@@](C)(NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000095969834 542984412 /nfs/dbraw/zinc/98/44/12/542984412.db2.gz VFWNWZKLXFVGMG-QGZVFWFLSA-N -1 0 371.455 2.009 50 0 FEAARM CC(C)(CC(=O)[O-])NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000095970146 542984508 /nfs/dbraw/zinc/98/45/08/542984508.db2.gz APCAHXNGYZXENW-UHFFFAOYSA-N -1 0 365.407 2.237 50 0 FEAARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc(Cl)n1 ZINC000126184085 543922493 /nfs/dbraw/zinc/92/24/93/543922493.db2.gz OZEQSPWWDDFKGZ-UHFFFAOYSA-N -1 0 366.826 2.487 50 0 FEAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(C)cn2)c1 ZINC000127935521 544022442 /nfs/dbraw/zinc/02/24/42/544022442.db2.gz VYWVEHQFWZSLFE-UHFFFAOYSA-N -1 0 352.799 2.365 50 0 FEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000095380388 221885173 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CC[C@@]1(C(=O)[O-])CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299768591 210017272 /nfs/dbraw/zinc/01/72/72/210017272.db2.gz LIWLZIDEKVBMBT-GOSISDBHSA-N -1 0 363.389 2.322 50 0 FEAARM CCC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020290510 539674566 /nfs/dbraw/zinc/67/45/66/539674566.db2.gz PHTIISQROPSPCW-YZGLPLCXSA-N -1 0 357.410 2.011 50 0 FEAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854274 539701656 /nfs/dbraw/zinc/70/16/56/539701656.db2.gz VRGAFULOEFCSFB-HNNXBMFYSA-N -1 0 374.466 2.489 50 0 FEAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cn3)c(C)s2)no1 ZINC000035539017 539983363 /nfs/dbraw/zinc/98/33/63/539983363.db2.gz MAGNDOXCTZJPOY-UHFFFAOYSA-N -1 0 350.425 2.919 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2cccnc2)on1 ZINC000040105298 540006182 /nfs/dbraw/zinc/00/61/82/540006182.db2.gz CASFDDHEQGBGLU-UHFFFAOYSA-N -1 0 367.390 2.307 50 0 FEAARM O=C(CCc1nnc(-c2ccc(F)cc2)[n-]c1=O)NCCc1ccccn1 ZINC000040426185 540009687 /nfs/dbraw/zinc/00/96/87/540009687.db2.gz HUXCDIPGRDZNTA-UHFFFAOYSA-N -1 0 367.384 2.070 50 0 FEAARM Cc1cc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1Br ZINC000237600019 222908097 /nfs/dbraw/zinc/90/80/97/222908097.db2.gz WOBVCIQTKIOFQX-CYBMUJFWSA-N -1 0 356.216 2.002 50 0 FEAARM Cc1ccc(CN2C[C@H](C(=O)N3CCC(CCC(=O)[O-])CC3)CC2=O)cc1 ZINC000055254993 540640398 /nfs/dbraw/zinc/64/03/98/540640398.db2.gz DQCAFZVEDSWTPY-GOSISDBHSA-N -1 0 372.465 2.447 50 0 FEAARM COc1ccc(C[C@H](C(=O)Nc2ccc(C)cc2)c2nnn[n-]2)c(OC)c1 ZINC000057525365 540801923 /nfs/dbraw/zinc/80/19/23/540801923.db2.gz RJFMPSNIYUQFOM-INIZCTEOSA-N -1 0 367.409 2.490 50 0 FEAARM O=C(CCNC(=O)c1ccccc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000069951034 541726023 /nfs/dbraw/zinc/72/60/23/541726023.db2.gz UVABGCMYQWCAGT-UHFFFAOYSA-N -1 0 352.350 2.201 50 0 FEAARM CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072169522 541795159 /nfs/dbraw/zinc/79/51/59/541795159.db2.gz HWXHRUQCNXLCPU-SFHVURJKSA-N -1 0 358.438 2.177 50 0 FEAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1NC(=O)C1CCC1 ZINC000072402020 541804957 /nfs/dbraw/zinc/80/49/57/541804957.db2.gz OAVPIYNAJMJCRH-UHFFFAOYSA-N -1 0 370.365 2.174 50 0 FEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000072408949 541806595 /nfs/dbraw/zinc/80/65/95/541806595.db2.gz CJXKVJCHKVGGFG-UHFFFAOYSA-N -1 0 352.394 2.389 50 0 FEAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC000072429714 541812153 /nfs/dbraw/zinc/81/21/53/541812153.db2.gz BKLCTAAILFGBPU-HNNXBMFYSA-N -1 0 357.410 2.277 50 0 FEAARM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C(C)(C)c3ccccc3)C2)CC1 ZINC000072436707 541814370 /nfs/dbraw/zinc/81/43/70/541814370.db2.gz DHNTYOWJQIMRHR-KRWDZBQOSA-N -1 0 372.465 2.278 50 0 FEAARM Cn1c([O-])c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1=S ZINC000015834686 220166317 /nfs/dbraw/zinc/16/63/17/220166317.db2.gz GLPLQVUTHZKFML-JTQLQIEISA-N -1 0 350.831 2.251 50 0 FEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)ccc1OC ZINC000016661468 220189565 /nfs/dbraw/zinc/18/95/65/220189565.db2.gz UWUHAXCYXCWFTF-UHFFFAOYSA-N -1 0 367.427 2.141 50 0 FEAARM CC[C@@H](C)n1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000017014294 220200018 /nfs/dbraw/zinc/20/00/18/220200018.db2.gz XWJGEPHQRHMSAS-PIGZYNQJSA-N -1 0 368.437 2.272 50 0 FEAARM COc1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000023731044 211395812 /nfs/dbraw/zinc/39/58/12/211395812.db2.gz DYCOGQVJTXBGNZ-INIZCTEOSA-N -1 0 354.362 2.066 50 0 FEAARM O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=C([O-])c1ccc2c(c1)OCO2 ZINC000014646870 211096206 /nfs/dbraw/zinc/09/62/06/211096206.db2.gz NJTZMJYMSGEBJC-UGSOOPFHSA-N -1 0 368.341 2.359 50 0 FEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000013420108 211032886 /nfs/dbraw/zinc/03/28/86/211032886.db2.gz QLGPNKYGXKSHBK-MRXNPFEDSA-N -1 0 371.389 2.089 50 0 FEAARM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000013199349 211028601 /nfs/dbraw/zinc/02/86/01/211028601.db2.gz BUCRLKLLCWDACB-LBPRGKRZSA-N -1 0 372.406 2.005 50 0 FEAARM O=C(Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21)c1ccc(F)cc1 ZINC000009109889 210816199 /nfs/dbraw/zinc/81/61/99/210816199.db2.gz UYPCDMZMAAAYTL-UHFFFAOYSA-N -1 0 363.352 2.400 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000006272615 210664464 /nfs/dbraw/zinc/66/44/64/210664464.db2.gz BBCQXYSGEGIZDH-KPKJPENVSA-N -1 0 358.419 2.472 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000004483881 210532487 /nfs/dbraw/zinc/53/24/87/210532487.db2.gz LCIFZKASHJLZJJ-HZPDHXFCSA-N -1 0 354.341 2.328 50 0 FEAARM O=C([O-])CCCCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000003193230 210453994 /nfs/dbraw/zinc/45/39/94/210453994.db2.gz PQKLTEGVOXFIFQ-UHFFFAOYSA-N -1 0 373.405 2.422 50 0 biogenic FEAARM Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002114931 210380364 /nfs/dbraw/zinc/38/03/64/210380364.db2.gz NHZGUYBRDIZASZ-LBPRGKRZSA-N -1 0 373.405 2.338 50 0 biogenic FEAARM CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002117878 210380086 /nfs/dbraw/zinc/38/00/86/210380086.db2.gz HNPIQGSCCFRCHL-BDJLRTHQSA-N -1 0 373.405 2.419 50 0 biogenic FEAARM CCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000002087784 210380102 /nfs/dbraw/zinc/38/01/02/210380102.db2.gz XSPWYPLOZXECSF-INIZCTEOSA-N -1 0 373.405 2.420 50 0 biogenic FEAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002132681 210379635 /nfs/dbraw/zinc/37/96/35/210379635.db2.gz FLFMAUXSEZIPNJ-IBGZPJMESA-N -1 0 367.357 2.422 50 0 biogenic FEAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000001702215 210365981 /nfs/dbraw/zinc/36/59/81/210365981.db2.gz UYOZWZKJQRBZRH-INIZCTEOSA-N -1 0 357.362 2.500 50 0 in-vitro FEAARM Cc1ccc2c(c1)[C@@H]1c3sc(=O)[nH]c3SC[C@]1(CC(=O)[O-])C(=O)O2 ZINC000001431696 210353101 /nfs/dbraw/zinc/35/31/01/210353101.db2.gz FDEASXJZLIXELR-BZNIZROVSA-N -1 0 363.416 2.363 50 0 FEAARM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001063471 210311401 /nfs/dbraw/zinc/31/14/01/210311401.db2.gz GFDNVPYRZKKDBP-GJZGRUSLSA-N -1 0 368.455 2.203 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nc(C)n1 ZINC000000878780 210284219 /nfs/dbraw/zinc/28/42/19/210284219.db2.gz NIDAHTAVYXJADZ-UHFFFAOYSA-N -1 0 374.344 2.395 50 0 FEAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000048991506 221016223 /nfs/dbraw/zinc/01/62/23/221016223.db2.gz KQGZFTQGWHXFJM-UHFFFAOYSA-N -1 0 374.216 2.068 50 0 FEAARM CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)c(=O)[nH]c2C1 ZINC000064959039 221158283 /nfs/dbraw/zinc/15/82/83/221158283.db2.gz RYPQQJWXGPFLGZ-UHFFFAOYSA-N -1 0 354.362 2.481 50 0 FEAARM O=C(NCc1nnn[n-]1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065387686 221210325 /nfs/dbraw/zinc/21/03/25/221210325.db2.gz WLUPRKRMPMFEGJ-UHFFFAOYSA-N -1 0 354.317 2.272 50 0 FEAARM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000079097365 542499283 /nfs/dbraw/zinc/49/92/83/542499283.db2.gz RWPDTQSNCWDRKT-QFIPXVFZSA-N -1 0 353.421 2.231 50 0 FEAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc(OC)c1O ZINC000066091688 221240570 /nfs/dbraw/zinc/24/05/70/221240570.db2.gz WRLLWYZSZJCLMN-ZETCQYMHSA-N -1 0 350.352 2.038 50 0 FEAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc(OC)c1OC ZINC000066091691 221240627 /nfs/dbraw/zinc/24/06/27/221240627.db2.gz ZTSYVDQLBOTHAU-MRVPVSSYSA-N -1 0 364.379 2.341 50 0 FEAARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000066200269 221243135 /nfs/dbraw/zinc/24/31/35/221243135.db2.gz VQRWJIKXLMACQU-UHFFFAOYSA-N -1 0 364.427 2.271 50 0 FEAARM Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cccc1C(=O)N1CCOCC1 ZINC000067456155 221253720 /nfs/dbraw/zinc/25/37/20/221253720.db2.gz RNYKOPCWQGRBBU-JKSUJKDBSA-N -1 0 372.421 2.073 50 0 FEAARM COCC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071284104 221339188 /nfs/dbraw/zinc/33/91/88/221339188.db2.gz WPBKAIVPKRLXPC-OLZOCXBDSA-N -1 0 354.790 2.220 50 0 FEAARM O=C([O-])c1nccnc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000071284632 221339392 /nfs/dbraw/zinc/33/93/92/221339392.db2.gz AWFMNOHKPQSXHX-UHFFFAOYSA-N -1 0 359.342 2.009 50 0 FEAARM CC1(C)[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)[C@@H]1C(=O)[O-] ZINC000071284582 221339454 /nfs/dbraw/zinc/33/94/54/221339454.db2.gz KURYWWLVUKCXSK-DLBZAZTESA-N -1 0 373.453 2.406 50 0 FEAARM COC(=O)c1[n-]c(=NC(=O)c2sc(-n3cccc3)nc2C)sc1C ZINC000079475222 542521237 /nfs/dbraw/zinc/52/12/37/542521237.db2.gz MPGSAIRJCKDHAT-UHFFFAOYSA-N -1 0 362.436 3.046 50 0 FEAARM COCCOc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000083911815 542705245 /nfs/dbraw/zinc/70/52/45/542705245.db2.gz MAWIPMGKNJUOMD-UHFFFAOYSA-N -1 0 369.370 2.350 50 0 FEAARM CCOc1ccc(S(=O)(=O)[N-]c2cnccc2N2CCOCC2)cc1 ZINC000096013501 132216942 /nfs/dbraw/zinc/21/69/42/132216942.db2.gz HORLNRDSBSQZJT-UHFFFAOYSA-N -1 0 363.439 2.118 50 0 FEAARM Cc1cccc(N2C(=Nc3nc(C)cc(C)n3)NC(=O)C[C@@H]2C(=O)[O-])c1 ZINC000000814376 132378747 /nfs/dbraw/zinc/37/87/47/132378747.db2.gz IXYANFXMUSNZCI-CQSZACIVSA-N -1 0 353.382 2.060 50 0 FEAARM Nc1c2cccc3c2c(cc1S(=O)(=O)[O-])C(=O)N(c1ccccc1)C3=O ZINC000003045305 132384819 /nfs/dbraw/zinc/38/48/19/132384819.db2.gz BLKKZJKSDUCBBA-UHFFFAOYSA-N -1 0 368.370 2.469 50 0 FEAARM COc1ccccc1[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C(=O)[O-] ZINC000091459201 542808698 /nfs/dbraw/zinc/80/86/98/542808698.db2.gz OLHNWUKVUSJKJK-LSDHHAIUSA-N -1 0 365.389 2.283 50 0 FEAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CC[NH+](Cc1cccc(C(=O)[O-])c1)CC2 ZINC000091858086 542829417 /nfs/dbraw/zinc/82/94/17/542829417.db2.gz KAPXUWRBASESHG-CQSZACIVSA-N -1 0 374.437 2.063 50 0 FEAARM Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[nH]1 ZINC000095368402 542961588 /nfs/dbraw/zinc/96/15/88/542961588.db2.gz TXQRKVPMXCYQHE-MRXNPFEDSA-N -1 0 369.421 2.034 50 0 FEAARM Cn1ccnc1CN1CCN([C@@H](C(=O)[O-])c2cc3ccccc3o2)CC1 ZINC000095353579 542957192 /nfs/dbraw/zinc/95/71/92/542957192.db2.gz TUFLVFZTQQGCFZ-GOSISDBHSA-N -1 0 354.410 2.110 50 0 FEAARM COCCCCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095353271 542957572 /nfs/dbraw/zinc/95/75/72/542957572.db2.gz UAERTKRTWNAITQ-OXJNMPFZSA-N -1 0 361.438 2.358 50 0 FEAARM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000095380976 542965627 /nfs/dbraw/zinc/96/56/27/542965627.db2.gz SZGPDZRLBJSCGM-IBGZPJMESA-N -1 0 355.438 2.342 50 0 FEAARM Cc1nn2c([n-]1)nc(C[N@@H+]1CCC[C@@H](c3ccc(C(=O)[O-])cc3)C1)cc2=O ZINC000095376901 542964705 /nfs/dbraw/zinc/96/47/05/542964705.db2.gz LMNIJAISSDBZPA-OAHLLOKOSA-N -1 0 367.409 2.216 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000095424580 542969309 /nfs/dbraw/zinc/96/93/09/542969309.db2.gz AKFVSYOOFDDOOG-WMZOPIPTSA-N -1 0 368.364 2.423 50 0 FEAARM CS(=O)(=O)c1nc2cc(I)c(Cl)cc2[n-]1 ZINC000095933580 542983554 /nfs/dbraw/zinc/98/35/54/542983554.db2.gz FPBJKUTYRBSQNK-UHFFFAOYSA-N -1 0 356.572 2.224 50 0 FEAARM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000095995665 542985178 /nfs/dbraw/zinc/98/51/78/542985178.db2.gz RILNHBLBUDBZEC-UHFFFAOYSA-N -1 0 357.233 2.106 50 0 FEAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1 ZINC000072469228 221542634 /nfs/dbraw/zinc/54/26/34/221542634.db2.gz JQVNFZLAUOAZHI-UHFFFAOYSA-N -1 0 358.423 2.450 50 0 FEAARM CCCCc1nc(CN2[N-]S(=O)(=O)c3ccccc3C2=O)cs1 ZINC000076940283 221595671 /nfs/dbraw/zinc/59/56/71/221595671.db2.gz CACTZYSHVZVGGR-UHFFFAOYSA-N -1 0 351.453 2.335 50 0 FEAARM O=C([O-])[C@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1ccccc1F ZINC000095528076 221954806 /nfs/dbraw/zinc/95/48/06/221954806.db2.gz YWUMBYHPBWWSAW-MRXNPFEDSA-N -1 0 362.401 2.106 50 0 FEAARM CCOc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])cc1OCC ZINC000096130930 222037018 /nfs/dbraw/zinc/03/70/18/222037018.db2.gz DDYRFUYDPQIYEM-MRXNPFEDSA-N -1 0 359.382 2.031 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000096221226 222085725 /nfs/dbraw/zinc/08/57/25/222085725.db2.gz CLVNQSLNSZESJY-INIZCTEOSA-N -1 0 355.390 2.203 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000101418142 222274001 /nfs/dbraw/zinc/27/40/01/222274001.db2.gz QFOLIQMLAAHVKS-JKSUJKDBSA-N -1 0 372.331 2.467 50 0 FEAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000152364640 222548962 /nfs/dbraw/zinc/54/89/62/222548962.db2.gz UIHLOZZQSACYRG-RYUDHWBXSA-N -1 0 371.340 2.104 50 0 FEAARM O=C([O-])[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000136144414 544367278 /nfs/dbraw/zinc/36/72/78/544367278.db2.gz GJWNXJVFVRJGNO-SNVBAGLBSA-N -1 0 359.209 2.046 50 0 FEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000136462115 544373612 /nfs/dbraw/zinc/37/36/12/544373612.db2.gz RBOKCZVECNJEJB-KRWDZBQOSA-N -1 0 354.406 2.425 50 0 FEAARM Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000127624179 263454737 /nfs/dbraw/zinc/45/47/37/263454737.db2.gz BHWRMOAYGARKKS-UHFFFAOYSA-N -1 0 356.375 2.258 50 0 FEAARM CCOc1ccccc1[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])NC(C)=O ZINC000262587167 328874629 /nfs/dbraw/zinc/87/46/29/328874629.db2.gz SWQJDIWIUMZTJV-JKSUJKDBSA-N -1 0 362.426 2.118 50 0 FEAARM Cc1c(C(=O)NC2(CC(=O)[O-])CCC2)nnn1-c1ccc2ncccc2c1 ZINC000262733202 328885136 /nfs/dbraw/zinc/88/51/36/328885136.db2.gz DQFYTWAHZRCDRZ-UHFFFAOYSA-N -1 0 365.393 2.251 50 0 FEAARM CC(=O)N[C@@H](CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000237442119 519682558 /nfs/dbraw/zinc/68/25/58/519682558.db2.gz CFUABQILFJUFBX-BONVTDFDSA-N -1 0 368.380 2.244 50 0 FEAARM CCCc1n[nH]cc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091624567 521462744 /nfs/dbraw/zinc/46/27/44/521462744.db2.gz LLVHZKQZPRWFRO-UONOGXRCSA-N -1 0 371.393 2.031 50 0 FEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000268974506 526288435 /nfs/dbraw/zinc/28/84/35/526288435.db2.gz IZYBWDUEFOYKDW-QMMMGPOBSA-N -1 0 358.828 2.451 50 0 FEAARM Cn1cnc2cc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC000218348451 527501092 /nfs/dbraw/zinc/50/10/92/527501092.db2.gz NQVCJGLGXXTPIM-KRWDZBQOSA-N -1 0 351.406 2.318 50 0 FEAARM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000268946345 527562089 /nfs/dbraw/zinc/56/20/89/527562089.db2.gz WMPCKJREDQXYRR-CPCZMJQVSA-N -1 0 364.829 2.453 50 0 FEAARM CCOC(=O)c1c(C)n(CC)c2ccc(OCc3n[n-]c(=NN)o3)cc21 ZINC000261490904 528128780 /nfs/dbraw/zinc/12/87/80/528128780.db2.gz OFGOBZACQUMECP-UHFFFAOYSA-N -1 0 359.386 2.394 50 0 FEAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)s1 ZINC000159188920 545929697 /nfs/dbraw/zinc/92/96/97/545929697.db2.gz LGZWYGJGTZJAJZ-GQCTYLIASA-N -1 0 351.453 2.354 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1 ZINC000178255529 546764765 /nfs/dbraw/zinc/76/47/65/546764765.db2.gz ZHAFOAMBTFNQJB-SFHVURJKSA-N -1 0 372.396 2.214 50 0 FEAARM CCCCc1nc(NC(=O)c2cnc3c(c2)ncn3C)c(C(=O)OCC)[nH]1 ZINC000191964238 548354152 /nfs/dbraw/zinc/35/41/52/548354152.db2.gz LLNZTBXJMYXGRZ-UHFFFAOYSA-N -1 0 370.413 2.463 50 0 FEAARM COc1ccc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000216310274 548677630 /nfs/dbraw/zinc/67/76/30/548677630.db2.gz KRTUZFRIWXFBQS-QGZVFWFLSA-N -1 0 358.369 2.206 50 0 FEAARM CCn1ccc(C(=O)N2CCc3[nH]c(-c4cccc(C(=O)[O-])c4)nc3C2)n1 ZINC000218388753 548686079 /nfs/dbraw/zinc/68/60/79/548686079.db2.gz PEIVAKCADXWMJT-UHFFFAOYSA-N -1 0 365.393 2.190 50 0 FEAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cnc3ccccc3c2)CCC(=O)N1 ZINC000218934599 548691185 /nfs/dbraw/zinc/69/11/85/548691185.db2.gz RASBKAHBRATQNV-FQEVSTJZSA-N -1 0 369.421 2.145 50 0 FEAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCC(F)(F)F)cc1 ZINC000220545208 548701466 /nfs/dbraw/zinc/70/14/66/548701466.db2.gz ZJFQGAJEQPPXHS-CHWSQXEVSA-N -1 0 361.316 2.380 50 0 FEAARM Cc1cccc(-n2cc(CNC(=O)c3cc(CC(C)C)nc(=O)[nH]3)cn2)c1 ZINC000221202919 548704268 /nfs/dbraw/zinc/70/42/68/548704268.db2.gz ASYZLIHICYNYOU-UHFFFAOYSA-N -1 0 365.437 2.393 50 0 FEAARM Cc1ccc(CNC(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)cc1F ZINC000222782282 548711672 /nfs/dbraw/zinc/71/16/72/548711672.db2.gz JPSZYILXCSDOFT-GOSISDBHSA-N -1 0 350.390 2.044 50 0 FEAARM Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)[O-])CC2)c(C)c1C ZINC000237440255 548827478 /nfs/dbraw/zinc/82/74/78/548827478.db2.gz DWCIITLXUJOELG-MRXNPFEDSA-N -1 0 368.499 2.008 50 0 FEAARM C[C@@H](CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1)C(=O)[O-] ZINC000237477140 548829422 /nfs/dbraw/zinc/82/94/22/548829422.db2.gz NVLSJRMYMDNSIK-JTQLQIEISA-N -1 0 352.822 2.056 50 0 FEAARM Cc1ccc(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000237703017 548845670 /nfs/dbraw/zinc/84/56/70/548845670.db2.gz DJYDRAGWPVDHKQ-NSHDSACASA-N -1 0 356.216 2.460 50 0 FEAARM Cn1cc(-c2nc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cs2)cn1 ZINC000237803620 548853980 /nfs/dbraw/zinc/85/39/80/548853980.db2.gz YLRVXZRSPUDYLY-OAHLLOKOSA-N -1 0 368.418 2.195 50 0 FEAARM Cc1nn(C)c2sc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)cc12 ZINC000237859332 548859116 /nfs/dbraw/zinc/85/91/16/548859116.db2.gz ZPAXBTNXACIPMW-NSHDSACASA-N -1 0 351.428 2.039 50 0 FEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 ZINC000237957204 548867126 /nfs/dbraw/zinc/86/71/26/548867126.db2.gz JMCVOMBEZJNGAJ-HNNXBMFYSA-N -1 0 356.426 2.303 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1 ZINC000238130527 548879468 /nfs/dbraw/zinc/87/94/68/548879468.db2.gz IYIDHRVRYYJNFR-CYBMUJFWSA-N -1 0 370.192 2.105 50 0 FEAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3ccnc3)nc2)cc(C)c1F ZINC000252540383 549673668 /nfs/dbraw/zinc/67/36/68/549673668.db2.gz PHSYTMJEXSDRDF-UHFFFAOYSA-N -1 0 374.397 2.142 50 0 FEAARM Cc1coc(CC(=O)[O-])c1C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000262948986 549865607 /nfs/dbraw/zinc/86/56/07/549865607.db2.gz MQYIFOFGODCAAG-UHFFFAOYSA-N -1 0 368.393 2.461 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1 ZINC000262989472 549869006 /nfs/dbraw/zinc/86/90/06/549869006.db2.gz OFMORASPFHCPAF-LBPRGKRZSA-N -1 0 354.156 2.121 50 0 FEAARM COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000263223153 549886800 /nfs/dbraw/zinc/88/68/00/549886800.db2.gz RBHRAMMQBHJSAF-VIFPVBQESA-N -1 0 367.345 2.199 50 0 FEAARM Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])nc2)c(O[C@H]2CCOC2)c1 ZINC000268454197 550068521 /nfs/dbraw/zinc/06/85/21/550068521.db2.gz RXBDHHFBFPGTQC-HNNXBMFYSA-N -1 0 356.378 2.186 50 0 FEAARM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1 ZINC000281241199 551077072 /nfs/dbraw/zinc/07/70/72/551077072.db2.gz VESGRXGBDGPKHI-UHFFFAOYSA-N -1 0 371.484 2.285 50 0 FEAARM Cc1ccc(N2CC[C@H](C(=O)NC3CCC(C(=O)[O-])CC3)C2=O)cc1C ZINC000299740554 553610098 /nfs/dbraw/zinc/61/00/98/553610098.db2.gz BPGQWIQTXLEGRR-VMBOVVBDSA-N -1 0 358.438 2.416 50 0 FEAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 ZINC000299749996 553610442 /nfs/dbraw/zinc/61/04/42/553610442.db2.gz MHUYERHHVWJCFL-OAHLLOKOSA-N -1 0 351.374 2.068 50 0 FEAARM CCn1cc(Br)cc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000299752906 553610512 /nfs/dbraw/zinc/61/05/12/553610512.db2.gz VYMPFFUPSHUKIO-GFCCVEGCSA-N -1 0 373.247 2.366 50 0 FEAARM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1 ZINC000333838304 554647989 /nfs/dbraw/zinc/64/79/89/554647989.db2.gz KQXZJPKJNIDRGC-QWHCGFSZSA-N -1 0 358.533 2.138 50 0 FEAARM COc1ccc(CN(C(=O)NCC(=O)[O-])C2CCCC2)c(OC)c1OC ZINC000426541805 559737352 /nfs/dbraw/zinc/73/73/52/559737352.db2.gz YVEIEBNABOFAIU-UHFFFAOYSA-N -1 0 366.414 2.251 50 0 FEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3cccc4c3NCCC4)C2)n1 ZINC000426621741 559739106 /nfs/dbraw/zinc/73/91/06/559739106.db2.gz PFPQCROLSWCLQA-HNNXBMFYSA-N -1 0 368.437 2.346 50 0 FEAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(Cc2noc(C3CCCC3)n2)C1 ZINC000426683737 559740166 /nfs/dbraw/zinc/74/01/66/559740166.db2.gz DTJAAFVECMMMEK-CQSZACIVSA-N -1 0 359.430 2.388 50 0 FEAARM O=C([O-])C1(NC(=O)c2cnn(Cc3ccccc3)c2)Cc2ccccc2C1 ZINC000531742088 562455337 /nfs/dbraw/zinc/45/53/37/562455337.db2.gz INWJWYFHNMHSIP-UHFFFAOYSA-N -1 0 361.401 2.283 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1ncc(=O)c2ccccc21 ZINC000583650497 570812112 /nfs/dbraw/zinc/81/21/12/570812112.db2.gz JTLKCUWAVIOKEV-KMFMINBZSA-N -1 0 369.421 2.031 50 0 FEAARM CCOC(=O)N1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000045967786 570917991 /nfs/dbraw/zinc/91/79/91/570917991.db2.gz UFBMCGUHPUZPAB-UHFFFAOYSA-N -1 0 361.398 2.012 50 0 FEAARM CCNC(=O)COc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1OC ZINC000048877207 570960272 /nfs/dbraw/zinc/96/02/72/570960272.db2.gz KZHUAOUNVBLYRV-UHFFFAOYSA-N -1 0 369.377 2.452 50 0 FEAARM Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000084374488 571084322 /nfs/dbraw/zinc/08/43/22/571084322.db2.gz BWGJLUJHPXMGEP-UHFFFAOYSA-N -1 0 366.830 2.010 50 0 FEAARM CCNc1nc([N-]S(=O)(=O)c2ccc(C)cc2)nc(NC(C)C)n1 ZINC000000854239 571132036 /nfs/dbraw/zinc/13/20/36/571132036.db2.gz HRCVQBCIZRAPLS-UHFFFAOYSA-N -1 0 350.448 2.233 50 0 FEAARM CC(C)c1ccc(CCCNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000570568224 571192197 /nfs/dbraw/zinc/19/21/97/571192197.db2.gz NNEPCAPTILGJLQ-QGZVFWFLSA-N -1 0 368.499 2.374 50 0 FEAARM CC(C)Oc1ncc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1Cl ZINC000584908000 600960447 /nfs/dbraw/zinc/96/04/47/600960447.db2.gz JJXIBJVSWYHSOM-UHFFFAOYSA-N -1 0 356.806 2.228 50 0 FEAARM COc1ccc([C@@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C(=O)[O-])cc1F ZINC000565364361 939348218 /nfs/dbraw/zinc/34/82/18/939348218.db2.gz QDXHAOZJULPGJD-MGPLVRAMSA-N -1 0 361.373 2.169 50 0 FEAARM C[C@@](NC(=O)c1ccc(N2CCC(O)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000663140442 939857460 /nfs/dbraw/zinc/85/74/60/939857460.db2.gz DDHFLHMEXAFENB-NRFANRHFSA-N -1 0 368.433 2.378 50 0 FEAARM O=C([O-])CCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001737327 539342977 /nfs/dbraw/zinc/34/29/77/539342977.db2.gz OQDPNIQCFQXYFQ-UHFFFAOYSA-N -1 0 367.357 2.430 50 0 biogenic FEAARM Cc1ccc(S(=O)(=O)Nc2nc(=NNC(=S)[S-])cc(C)[nH]2)cc1 ZINC000001826429 539344044 /nfs/dbraw/zinc/34/40/44/539344044.db2.gz CEAFUSGBESNKPQ-UHFFFAOYSA-N -1 0 369.497 2.025 50 0 FEAARM O=C([O-])c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002115241 539344506 /nfs/dbraw/zinc/34/45/06/539344506.db2.gz ANCRUIZRJBSARJ-OCCSQVGLSA-N -1 0 353.378 2.198 50 0 biogenic FEAARM CCCC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002152964 539345409 /nfs/dbraw/zinc/34/54/09/539345409.db2.gz LELAZSWZMLVOQI-AWEZNQCLSA-N -1 0 361.394 2.418 50 0 biogenic FEAARM CCOC(=O)Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1C ZINC000002768334 539352809 /nfs/dbraw/zinc/35/28/09/539352809.db2.gz YDJUKJAPYGVBIC-MNOVXSKESA-N -1 0 354.428 2.387 50 0 FEAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2)C(=O)[O-] ZINC000002889410 539355745 /nfs/dbraw/zinc/35/57/45/539355745.db2.gz NMALASXKVMXDBK-CYBMUJFWSA-N -1 0 362.407 2.183 50 0 FEAARM COc1ccccc1CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000003043465 539358878 /nfs/dbraw/zinc/35/88/78/539358878.db2.gz JLZGZBUOAYZLGG-UHFFFAOYSA-N -1 0 355.419 2.384 50 0 FEAARM COCCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2[n-]c1=S ZINC000003043491 539359023 /nfs/dbraw/zinc/35/90/23/539359023.db2.gz YFCASNVSHOGXBR-LBPRGKRZSA-N -1 0 361.467 2.204 50 0 FEAARM O=C([O-])C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000004092819 539376662 /nfs/dbraw/zinc/37/66/62/539376662.db2.gz JRXJVQMEHMEMFG-LBPRGKRZSA-N -1 0 352.239 2.240 50 0 FEAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)NC1CCCCC1 ZINC000004329586 539382708 /nfs/dbraw/zinc/38/27/08/539382708.db2.gz MWOUUHXMNYSGLM-UHFFFAOYSA-N -1 0 353.469 2.339 50 0 FEAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000004671636 539389232 /nfs/dbraw/zinc/38/92/32/539389232.db2.gz IJYSIFWFDVTHLF-UHFFFAOYSA-N -1 0 358.737 2.273 50 0 FEAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCC(=O)[O-])cc1 ZINC000004844619 539394289 /nfs/dbraw/zinc/39/42/89/539394289.db2.gz IUNHETJHOGFWFL-LGMDPLHJSA-N -1 0 368.389 2.057 50 0 FEAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)[O-] ZINC000004976754 539397771 /nfs/dbraw/zinc/39/77/71/539397771.db2.gz NNHAHNSYFDBAPJ-UELRPHRMSA-N -1 0 360.366 2.259 50 0 FEAARM O=C([O-])[C@H](CSCc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000005547028 539413154 /nfs/dbraw/zinc/41/31/54/539413154.db2.gz QNLLBLJBKTUJMC-HNNXBMFYSA-N -1 0 351.449 2.352 50 0 FEAARM CCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1CCC(=O)[O-] ZINC000006150573 539422751 /nfs/dbraw/zinc/42/27/51/539422751.db2.gz HHMXSGCIGPVEPE-UHFFFAOYSA-N -1 0 367.471 2.494 50 0 FEAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006157514 539422910 /nfs/dbraw/zinc/42/29/10/539422910.db2.gz ULUAOLRNLRLISP-FOWTUZBSSA-N -1 0 353.353 2.472 50 0 FEAARM Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccncc1 ZINC000006028902 539420933 /nfs/dbraw/zinc/42/09/33/539420933.db2.gz SKMLNJWHEFFXEF-UHFFFAOYSA-N -1 0 356.436 2.467 50 0 FEAARM Cc1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])ccc1-n1cnnn1 ZINC000006810089 539437986 /nfs/dbraw/zinc/43/79/86/539437986.db2.gz MIFJNPHKAKCNSD-GJZGRUSLSA-N -1 0 355.398 2.356 50 0 FEAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 ZINC000006719860 539434896 /nfs/dbraw/zinc/43/48/96/539434896.db2.gz VCCTWDOSNBFBQM-UHFFFAOYSA-N -1 0 370.430 2.236 50 0 FEAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c1 ZINC000006887549 539440065 /nfs/dbraw/zinc/44/00/65/539440065.db2.gz BSWUCJTWASGAOL-UHFFFAOYSA-N -1 0 359.363 2.033 50 0 FEAARM C[C@@H]1CCCCN1C(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530197 539503798 /nfs/dbraw/zinc/50/37/98/539503798.db2.gz NEHWRLMWRHVVNM-LLVKDONJSA-N -1 0 353.469 2.291 50 0 FEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccn2)cc1 ZINC000009421827 539502547 /nfs/dbraw/zinc/50/25/47/539502547.db2.gz AGZSZMTZVVODDS-UHFFFAOYSA-N -1 0 371.422 2.335 50 0 FEAARM CN1CCOc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1=O ZINC000009828161 539507516 /nfs/dbraw/zinc/50/75/16/539507516.db2.gz ZPARGEXBQZXLJQ-UHFFFAOYSA-N -1 0 368.361 2.230 50 0 FEAARM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1F ZINC000010518243 539517538 /nfs/dbraw/zinc/51/75/38/539517538.db2.gz MEALLHFYDBWSIM-UHFFFAOYSA-N -1 0 370.427 2.067 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000010895448 539522109 /nfs/dbraw/zinc/52/21/09/539522109.db2.gz TUQMCTDFMFDQDS-UHFFFAOYSA-N -1 0 367.434 2.452 50 0 FEAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000222659948 222744557 /nfs/dbraw/zinc/74/45/57/222744557.db2.gz JORDOGJVFRGJCB-KGLIPLIRSA-N -1 0 361.350 2.060 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 ZINC000013436968 539586934 /nfs/dbraw/zinc/58/69/34/539586934.db2.gz NJBPMIXCZZSWLH-QGZVFWFLSA-N -1 0 355.346 2.340 50 0 FEAARM CCC(NCc1cccnc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020332979 539674142 /nfs/dbraw/zinc/67/41/42/539674142.db2.gz NQOBZEIKVNHRHO-WUKNDPDISA-N -1 0 364.405 2.427 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 ZINC000000828185 219327967 /nfs/dbraw/zinc/32/79/67/219327967.db2.gz DJFWYFXTAHRXSJ-UHFFFAOYSA-N -1 0 351.380 2.276 50 0 FEAARM O=C(Cc1sc2ncnn2c1[O-])Nc1ccc(Br)cc1 ZINC000000959013 219348164 /nfs/dbraw/zinc/34/81/64/219348164.db2.gz QSVDRGTXPDNZQZ-VIFPVBQESA-N -1 0 353.201 2.184 50 0 aggregator FEAARM COc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000001072416 219364741 /nfs/dbraw/zinc/36/47/41/219364741.db2.gz NTMHMNFVEOVAHM-CYBMUJFWSA-N -1 0 354.362 2.385 50 0 FEAARM Cc1c(NC(=O)c2ccccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001086137 219367340 /nfs/dbraw/zinc/36/73/40/219367340.db2.gz ATUXXANSRULJIN-UHFFFAOYSA-N -1 0 351.362 2.435 50 0 FEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccs1 ZINC000028167346 539826728 /nfs/dbraw/zinc/82/67/28/539826728.db2.gz XNWPJHLXTIUNQA-ZDUSSCGKSA-N -1 0 350.421 2.204 50 0 FEAARM O=C([N-]N1CC(=O)NC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000029018275 539841085 /nfs/dbraw/zinc/84/10/85/539841085.db2.gz HUQWAIAAEDLTIK-UHFFFAOYSA-N -1 0 353.256 2.162 50 0 FEAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030032315 539872979 /nfs/dbraw/zinc/87/29/79/539872979.db2.gz YYWCNOQLRQGLAS-BMIGLBTASA-N -1 0 371.418 2.172 50 0 FEAARM C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(Br)cc1 ZINC000035302528 539979572 /nfs/dbraw/zinc/97/95/72/539979572.db2.gz MLJYLSPMOPFFAF-GXFFZTMASA-N -1 0 355.232 2.175 50 0 FEAARM COCCCNC(=O)CCc1nnc(-c2cccc(OC(C)C)c2)[n-]c1=O ZINC000034764435 539977668 /nfs/dbraw/zinc/97/76/68/539977668.db2.gz LGXVLDAEGLABMB-UHFFFAOYSA-N -1 0 374.441 2.117 50 0 FEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Br)c[nH]1 ZINC000034940599 539978626 /nfs/dbraw/zinc/97/86/26/539978626.db2.gz IHYISMBHXSYBBE-UHFFFAOYSA-N -1 0 363.164 2.415 50 0 FEAARM O=C(/C=C/c1ccsc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042267486 540056803 /nfs/dbraw/zinc/05/68/03/540056803.db2.gz NWRWMYULZPTHQL-DAFODLJHSA-N -1 0 351.405 2.038 50 0 FEAARM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2OCc2cscn2)CCO1 ZINC000299747180 223079282 /nfs/dbraw/zinc/07/92/82/223079282.db2.gz CHTLYZGKHHYQOK-ZDUSSCGKSA-N -1 0 362.407 2.038 50 0 FEAARM C[C@@H]1Oc2c(cccc2C(=O)NCCc2ccc(C(=O)[O-])cc2)NC1=O ZINC000299748307 223079542 /nfs/dbraw/zinc/07/95/42/223079542.db2.gz GVGUKFMKBYBSBY-NSHDSACASA-N -1 0 354.362 2.077 50 0 FEAARM Cc1ccc(N2CC[C@@H](C(=O)NC3CCC(C(=O)[O-])CC3)C2=O)cc1C ZINC000299740553 223079807 /nfs/dbraw/zinc/07/98/07/223079807.db2.gz BPGQWIQTXLEGRR-DQPZFDDXSA-N -1 0 358.438 2.416 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000299753110 223080208 /nfs/dbraw/zinc/08/02/08/223080208.db2.gz WWKOIJJIRJMOAR-LJQANCHMSA-N -1 0 361.401 2.453 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000299750634 223080329 /nfs/dbraw/zinc/08/03/29/223080329.db2.gz OEBBKVNDROQCPU-FPMFFAJLSA-N -1 0 359.357 2.302 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000299751758 223080395 /nfs/dbraw/zinc/08/03/95/223080395.db2.gz RPAXGIXGHWKUET-DJIMGWMZSA-N -1 0 369.421 2.422 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000299753109 223080494 /nfs/dbraw/zinc/08/04/94/223080494.db2.gz WWKOIJJIRJMOAR-IBGZPJMESA-N -1 0 361.401 2.453 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000299751794 223080560 /nfs/dbraw/zinc/08/05/60/223080560.db2.gz RVBSOMFJPWDFGR-PEYYIBSZSA-N -1 0 358.373 2.264 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2OCCOc2ccccc2)CCO1 ZINC000299753583 223080783 /nfs/dbraw/zinc/08/07/83/223080783.db2.gz YSBKBRBOXQXFIG-SFHVURJKSA-N -1 0 371.389 2.070 50 0 FEAARM COC(=O)Cc1c(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)[n-]n2c1=O ZINC000009531054 219882946 /nfs/dbraw/zinc/88/29/46/219882946.db2.gz POFFAKHAWVMNIV-UHFFFAOYSA-N -1 0 371.393 2.039 50 0 FEAARM Cc1ccccc1-c1noc(CCCC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000072133160 541785156 /nfs/dbraw/zinc/78/51/56/541785156.db2.gz VJFCXBLDNVPYTC-AWEZNQCLSA-N -1 0 373.409 2.070 50 0 FEAARM c1ccc(CCCc2noc(-c3ccc(NCc4nnn[n-]4)nc3)n2)cc1 ZINC000072423133 541810237 /nfs/dbraw/zinc/81/02/37/541810237.db2.gz LLOBXJCVDBMBOW-UHFFFAOYSA-N -1 0 362.397 2.432 50 0 FEAARM Cc1noc(C)c1CC(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072432539 541813689 /nfs/dbraw/zinc/81/36/89/541813689.db2.gz IJBQWLBSHCCTKA-UHFFFAOYSA-N -1 0 358.394 2.359 50 0 FEAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3ccncc3)CC2)n1 ZINC000072479519 541821668 /nfs/dbraw/zinc/82/16/68/541821668.db2.gz QHWWGGRUSUMRNY-UHFFFAOYSA-N -1 0 356.426 2.292 50 0 FEAARM COc1ccc(CCNC(=O)COc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000013086398 220057642 /nfs/dbraw/zinc/05/76/42/220057642.db2.gz WDVMCRYCAMSMMS-UHFFFAOYSA-N -1 0 359.378 2.140 50 0 FEAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2nnc3ccccn32)c1C ZINC000013248794 220062700 /nfs/dbraw/zinc/06/27/00/220062700.db2.gz LGHLJKYWYLIBAZ-LBPRGKRZSA-N -1 0 374.422 2.084 50 0 FEAARM CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013428018 220067071 /nfs/dbraw/zinc/06/70/71/220067071.db2.gz GVAAGYAJPGPLEO-INIZCTEOSA-N -1 0 361.419 2.177 50 0 FEAARM COC(=O)c1c(-c2ccncc2)csc1NC(=O)CSCC(=O)[O-] ZINC000017075227 220204319 /nfs/dbraw/zinc/20/43/19/220204319.db2.gz RILPINXXOCXFGV-UHFFFAOYSA-N -1 0 366.420 2.353 50 0 FEAARM O=C(NCc1ccccc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000075476421 542181605 /nfs/dbraw/zinc/18/16/05/542181605.db2.gz LXZRFQOYLLLAJN-UHFFFAOYSA-N -1 0 356.407 2.141 50 0 FEAARM CNC(=O)c1cc(-n2ccnc2-c2ccc(O)c(C(=O)[O-])c2)ccc1OC ZINC000077523874 542392417 /nfs/dbraw/zinc/39/24/17/542392417.db2.gz VHQGUXYZCBZJBB-UHFFFAOYSA-N -1 0 367.361 2.311 50 0 FEAARM Cc1ccc(C)c(Cn2cc(C(=O)[O-])c(S(=O)(=O)N3CCCC3)n2)c1 ZINC000049411632 221022243 /nfs/dbraw/zinc/02/22/43/221022243.db2.gz ORXBTRWBKRDGAM-UHFFFAOYSA-N -1 0 363.439 2.031 50 0 FEAARM Cc1ccc(CN2C[C@@H](C(=O)N3CCC(CCC(=O)[O-])CC3)CC2=O)cc1 ZINC000055254996 221063775 /nfs/dbraw/zinc/06/37/75/221063775.db2.gz DQCAFZVEDSWTPY-SFHVURJKSA-N -1 0 372.465 2.447 50 0 FEAARM CN(Cc1cnc2ccccc2n1)C(=O)c1ccccc1NCC(=O)[O-] ZINC000055272035 221064305 /nfs/dbraw/zinc/06/43/05/221064305.db2.gz NSKWAFFBVVDUON-UHFFFAOYSA-N -1 0 350.378 2.399 50 0 FEAARM CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000058105236 221098004 /nfs/dbraw/zinc/09/80/04/221098004.db2.gz AMCNCNYCIQPMIP-SNVBAGLBSA-N -1 0 355.232 2.143 50 0 FEAARM COc1cc(C)ccc1OCC(=O)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000060497162 221132623 /nfs/dbraw/zinc/13/26/23/221132623.db2.gz 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COc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071287664 221340027 /nfs/dbraw/zinc/34/00/27/221340027.db2.gz MRJXXZBGYJDENF-CABCVRRESA-N -1 0 362.426 2.376 50 0 FEAARM O=C([O-])c1cc(-c2cncnc2)cc(S(=O)(=O)NCc2ccccc2)c1 ZINC000071419467 221348249 /nfs/dbraw/zinc/34/82/49/221348249.db2.gz RRIDZCIYCUFKOX-UHFFFAOYSA-N -1 0 369.402 2.320 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000071846858 221382868 /nfs/dbraw/zinc/38/28/68/221382868.db2.gz CSWTYMKTCGEGDW-CVEARBPZSA-N -1 0 374.462 2.481 50 0 FEAARM CO[C@]12CCN(C(=O)c3cccc(F)c3)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299759286 533383155 /nfs/dbraw/zinc/38/31/55/533383155.db2.gz PWOQGKOVCZUIPD-RVKKMQEKSA-N -1 0 351.374 2.079 50 0 FEAARM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCN(c3cccc(C)n3)CC2)c1 ZINC000095390940 132210364 /nfs/dbraw/zinc/21/03/64/132210364.db2.gz PFBMHCFTAVLWGO-LJQANCHMSA-N -1 0 371.437 2.355 50 0 FEAARM C[C@@H](C(=O)[O-])N(C)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000089598254 542765991 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369.381 2.145 50 0 FEAARM O=C([O-])c1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(F)c1 ZINC000262306207 549808680 /nfs/dbraw/zinc/80/86/80/549808680.db2.gz AWVKWQNHUIIYHT-UHFFFAOYSA-N -1 0 360.341 2.152 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCN1C(=O)COc2ccccc21 ZINC000265613145 550012596 /nfs/dbraw/zinc/01/25/96/550012596.db2.gz VSQUAMHJBREGJX-FMKPAKJESA-N -1 0 372.421 2.046 50 0 FEAARM CC1(C(=O)[O-])CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000364201665 555268589 /nfs/dbraw/zinc/26/85/89/555268589.db2.gz PFKNMWGOJPVDHY-UHFFFAOYSA-N -1 0 373.236 2.437 50 0 FEAARM CC1(C)CN(S(=O)(=O)[N-]CC(F)(F)F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000374236313 557848191 /nfs/dbraw/zinc/84/81/91/557848191.db2.gz APLAEYBNTKXIIN-MDZLAQPJSA-N -1 0 356.410 2.053 50 0 FEAARM Cc1ccc(N2CC[C@H](C(=O)NCc3ccc(C(=O)[O-])o3)C2=O)cc1C ZINC000408513471 558685835 /nfs/dbraw/zinc/68/58/35/558685835.db2.gz UMLIRTQEAYDDJH-OAHLLOKOSA-N -1 0 356.378 2.264 50 0 FEAARM COc1ccc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)cc1C ZINC000426619980 559739178 /nfs/dbraw/zinc/73/91/78/559739178.db2.gz FMQZVJNEDCFJIA-HNNXBMFYSA-N -1 0 357.410 2.305 50 0 FEAARM COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205980337 570555224 /nfs/dbraw/zinc/55/52/24/570555224.db2.gz SZKNPSCQXZTILC-NSHDSACASA-N -1 0 374.780 2.454 50 0 FEAARM COCCS(=O)(=O)[N-]C(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000111994014 570948681 /nfs/dbraw/zinc/94/86/81/570948681.db2.gz PURCFFYCKJORNE-UHFFFAOYSA-N -1 0 368.480 2.441 50 0 FEAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2cccc3ncccc32)cs1 ZINC000013733591 571134528 /nfs/dbraw/zinc/13/45/28/571134528.db2.gz ZBDQDZCBSHNRBW-UHFFFAOYSA-N -1 0 362.436 2.244 50 0 FEAARM O=C([O-])c1ccccc1C=NNC(=O)CCCNC(=O)c1ccccc1 ZINC000254753737 571270968 /nfs/dbraw/zinc/27/09/68/571270968.db2.gz RIXKAANIWYZIHM-UHFFFAOYSA-N -1 0 353.378 2.045 50 0 FEAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C ZINC000656512418 677761357 /nfs/dbraw/zinc/76/13/57/677761357.db2.gz KXVNZVLVBVUDSK-UHFFFAOYSA-N -1 0 352.412 2.444 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2 ZINC000170623553 222608066 /nfs/dbraw/zinc/60/80/66/222608066.db2.gz QNIGPWAKZVKIEV-UHFFFAOYSA-N -1 0 365.432 2.127 50 0 FEAARM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)N(C)S(=O)(=O)c1ccccc1 ZINC000000968720 539336203 /nfs/dbraw/zinc/33/62/03/539336203.db2.gz ADSSOYKVGCLWTR-GFCCVEGCSA-N -1 0 362.407 2.033 50 0 FEAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCC(=O)[O-])ccc12 ZINC000002107171 539344577 /nfs/dbraw/zinc/34/45/77/539344577.db2.gz XGWMVFASBDHWOQ-UHFFFAOYSA-N -1 0 361.394 2.414 50 0 biogenic FEAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002123623 539344821 /nfs/dbraw/zinc/34/48/21/539344821.db2.gz DGKFDADMJOAQJL-HNNXBMFYSA-N -1 0 367.785 2.228 50 0 biogenic FEAARM CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002103189 539344884 /nfs/dbraw/zinc/34/48/84/539344884.db2.gz OHLPCNJMPWHYJG-AWEZNQCLSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM CCC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002104579 539344918 /nfs/dbraw/zinc/34/49/18/539344918.db2.gz NZHMWCAONPJEIE-AWEZNQCLSA-N -1 0 361.394 2.330 50 0 biogenic FEAARM CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000002391692 539347973 /nfs/dbraw/zinc/34/79/73/539347973.db2.gz SREPAMKILVVDSP-CQSZACIVSA-N -1 0 364.398 2.329 50 0 FEAARM O=C([O-])[C@H](CCC(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002584479 539349994 /nfs/dbraw/zinc/34/99/94/539349994.db2.gz MXPOTGPWCJELKP-HNNXBMFYSA-N -1 0 352.346 2.155 50 0 FEAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000002655259 539350645 /nfs/dbraw/zinc/35/06/45/539350645.db2.gz HLGZDKLPKWNWSD-UHFFFAOYSA-N -1 0 353.421 2.094 50 0 FEAARM COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)[O-])c1OC ZINC000003209303 539361052 /nfs/dbraw/zinc/36/10/52/539361052.db2.gz UGWBWWQLGYGIJU-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM O=C([O-])CCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000003904530 539374546 /nfs/dbraw/zinc/37/45/46/539374546.db2.gz 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COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c[nH]1 ZINC000006887448 539440080 /nfs/dbraw/zinc/44/00/80/539440080.db2.gz CKELWVWNVPTGIK-UHFFFAOYSA-N -1 0 359.201 2.365 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000007323448 539455371 /nfs/dbraw/zinc/45/53/71/539455371.db2.gz WSBQZLAVWTWVDV-UHFFFAOYSA-N -1 0 351.380 2.291 50 0 FEAARM CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)[O-])c3c2)CC1 ZINC000008602313 539489478 /nfs/dbraw/zinc/48/94/78/539489478.db2.gz CGGXCJODTVQCET-UHFFFAOYSA-N -1 0 350.396 2.059 50 0 FEAARM Cc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4ccccc43)c2=O)c1C ZINC000008995023 539495743 /nfs/dbraw/zinc/49/57/43/539495743.db2.gz WQEOUNPTIRGLJL-INIZCTEOSA-N -1 0 364.357 2.108 50 0 FEAARM Cc1[n-]n2c(nc(SCC(=O)N3CCCC3)nc2=O)c1-c1ccccc1 ZINC000009107381 539498023 /nfs/dbraw/zinc/49/80/23/539498023.db2.gz GDIWBPZSXWICNQ-UHFFFAOYSA-N -1 0 369.450 2.108 50 0 FEAARM O=C([O-])CCNS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000012290926 539552222 /nfs/dbraw/zinc/55/22/22/539552222.db2.gz XGBCLPAJCFBBBS-UHFFFAOYSA-N -1 0 358.213 2.355 50 0 FEAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000012391755 539557991 /nfs/dbraw/zinc/55/79/91/539557991.db2.gz YAIIBDWZPDYANL-MRXNPFEDSA-N -1 0 361.398 2.076 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000014109920 539594859 /nfs/dbraw/zinc/59/48/59/539594859.db2.gz MCIUDXUQSDUAHP-UHFFFAOYSA-N -1 0 367.386 2.363 50 0 FEAARM O=C([O-])c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000706198 219315596 /nfs/dbraw/zinc/31/55/96/219315596.db2.gz NJPVMBBCKXQKSS-UHFFFAOYSA-N -1 0 352.346 2.400 50 0 FEAARM CCOC(=O)c1ccc(NC(=O)[C@@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000000790023 219321790 /nfs/dbraw/zinc/32/17/90/219321790.db2.gz WCSAMAAGDKBGGM-OAHLLOKOSA-N -1 0 360.366 2.028 50 0 FEAARM COCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000026538978 539788842 /nfs/dbraw/zinc/78/88/42/539788842.db2.gz VOIGNROULQOJOB-UHFFFAOYSA-N -1 0 369.370 2.350 50 0 FEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000000812632 219324343 /nfs/dbraw/zinc/32/43/43/219324343.db2.gz XOAAFQGTCSSPOZ-UHFFFAOYSA-N -1 0 369.406 2.233 50 0 FEAARM CCN1c2ccc(S(=O)(=O)[N-]c3ncccn3)c3cccc(c23)C1=O ZINC000000956873 219346482 /nfs/dbraw/zinc/34/64/82/219346482.db2.gz PCIYZEXJQFOGJR-UHFFFAOYSA-N -1 0 354.391 2.411 50 0 FEAARM CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000001061527 219361712 /nfs/dbraw/zinc/36/17/12/219361712.db2.gz GPUYYZSCJGIBPZ-UHFFFAOYSA-N -1 0 373.438 2.479 50 0 FEAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)ncn1 ZINC000001160355 219383855 /nfs/dbraw/zinc/38/38/55/219383855.db2.gz GFSHRKMRRPSWGJ-UHFFFAOYSA-N -1 0 374.378 2.131 50 0 FEAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000032833830 539955536 /nfs/dbraw/zinc/95/55/36/539955536.db2.gz JFBLAOODCHXGDX-UHFFFAOYSA-N -1 0 367.379 2.270 50 0 FEAARM CCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002156211 219429707 /nfs/dbraw/zinc/42/97/07/219429707.db2.gz QLIDVPQYNLUXSC-HNNXBMFYSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM CC(C)[C@H](C(=O)[O-])n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O ZINC000040388228 540009909 /nfs/dbraw/zinc/00/99/09/540009909.db2.gz CLZHGRVWEBQRMY-MRXNPFEDSA-N -1 0 363.377 2.388 50 0 FEAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000237732710 222909555 /nfs/dbraw/zinc/90/95/55/222909555.db2.gz UEDFRGOPJQWDPJ-OAHLLOKOSA-N -1 0 356.378 2.094 50 0 FEAARM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccs1 ZINC000004914323 219624167 /nfs/dbraw/zinc/62/41/67/219624167.db2.gz HNBVKEYOTNRHEO-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM Cc1cccc2[nH]c(CCNC(=O)c3cccc(NCC(=O)[O-])c3)nc21 ZINC000055568709 540659929 /nfs/dbraw/zinc/65/99/29/540659929.db2.gz MUBQRTUMRSRFSH-UHFFFAOYSA-N -1 0 352.394 2.340 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)o1 ZINC000299742065 223079376 /nfs/dbraw/zinc/07/93/76/223079376.db2.gz GRGHWCGHKSXQHS-JTQLQIEISA-N -1 0 362.769 2.301 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000299747719 223079811 /nfs/dbraw/zinc/07/98/11/223079811.db2.gz DUZCAEVBVSYOAW-NSHDSACASA-N -1 0 355.774 2.165 50 0 FEAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000299744155 223079869 /nfs/dbraw/zinc/07/98/69/223079869.db2.gz RFUKPBWZSWMBEE-SNVBAGLBSA-N -1 0 368.315 2.141 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000299749010 223080170 /nfs/dbraw/zinc/08/01/70/223080170.db2.gz IWNLPRHRSUAJFO-RTXFEEFZSA-N -1 0 372.343 2.111 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000299750637 223080227 /nfs/dbraw/zinc/08/02/27/223080227.db2.gz OEBBKVNDROQCPU-MRVWCRGKSA-N -1 0 359.357 2.302 50 0 FEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299750495 223080296 /nfs/dbraw/zinc/08/02/96/223080296.db2.gz NPCILYPSQVLJEP-RLCCDNCMSA-N -1 0 358.373 2.264 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299750497 223080326 /nfs/dbraw/zinc/08/03/26/223080326.db2.gz NPCILYPSQVLJEP-XZJROXQQSA-N -1 0 358.373 2.264 50 0 FEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1noc(-c2ccccc2F)n1 ZINC000328593999 223116126 /nfs/dbraw/zinc/11/61/26/223116126.db2.gz HNWGREUDVLISKL-UHFFFAOYSA-N -1 0 351.363 2.027 50 0 FEAARM O=C1N[C@H](c2cccnc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000011859144 219938501 /nfs/dbraw/zinc/93/85/01/219938501.db2.gz SMLKJICDHLUSRA-JTNHKYCSSA-N -1 0 371.340 2.247 50 0 FEAARM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1n[nH]c3ccccc31)C2 ZINC000067542226 541477927 /nfs/dbraw/zinc/47/79/27/541477927.db2.gz CJWFJKWWDMTHGK-UHFFFAOYSA-N -1 0 367.409 2.312 50 0 FEAARM Cc1ccc(C)c(CC(=O)N2C[C@H](C(=O)N3CCCC3)C[C@H](C(=O)[O-])C2)c1 ZINC000072144085 541787361 /nfs/dbraw/zinc/78/73/61/541787361.db2.gz NMSZHEVAQYQQKJ-MSOLQXFVSA-N -1 0 372.465 2.018 50 0 FEAARM Cc1cccc(C(=O)N2CC3(C[C@@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)c1 ZINC000072428900 541811504 /nfs/dbraw/zinc/81/15/04/541811504.db2.gz SGVLEGPFKHRVBZ-QGZVFWFLSA-N -1 0 370.449 2.313 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)Nc1ccc(Cl)nc1)C2 ZINC000072480557 541821633 /nfs/dbraw/zinc/82/16/33/541821633.db2.gz NPBLCALVNVBWOB-UHFFFAOYSA-N -1 0 363.805 2.387 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000012735391 220022027 /nfs/dbraw/zinc/02/20/27/220022027.db2.gz AIPBQCPCUVRLCW-UHFFFAOYSA-N -1 0 353.327 2.111 50 0 FEAARM O=C([O-])c1ccccc1SCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000012940531 220045619 /nfs/dbraw/zinc/04/56/19/220045619.db2.gz WHFMEMPZFNDQNC-GFCCVEGCSA-N -1 0 359.403 2.433 50 0 FEAARM Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1Br ZINC000013262583 220062275 /nfs/dbraw/zinc/06/22/75/220062275.db2.gz HYXKOUHJHXNPTD-UHFFFAOYSA-N -1 0 362.245 2.243 50 0 FEAARM CS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389799 220066625 /nfs/dbraw/zinc/06/66/25/220066625.db2.gz KZVYUHCJERMSTC-GFCCVEGCSA-N -1 0 353.421 2.097 50 0 FEAARM O=C(CCc1ccccc1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013686015 220085572 /nfs/dbraw/zinc/08/55/72/220085572.db2.gz PJWQMXBNHIPIAJ-UHFFFAOYSA-N -1 0 373.416 2.358 50 0 FEAARM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000016697100 220191065 /nfs/dbraw/zinc/19/10/65/220191065.db2.gz ZPDUEFCWDPJFBV-KBPBESRZSA-N -1 0 364.398 2.233 50 0 FEAARM Cc1cc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)no1 ZINC000017747360 220217184 /nfs/dbraw/zinc/21/71/84/220217184.db2.gz BAWLBVSSPZVIIA-UHFFFAOYSA-N -1 0 350.400 2.091 50 0 FEAARM Cc1nnc([N-]C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)s1 ZINC000075163714 542156981 /nfs/dbraw/zinc/15/69/81/542156981.db2.gz NIWLJRSJXDLGFH-UHFFFAOYSA-N -1 0 355.305 2.093 50 0 FEAARM COC(=O)C1=C([O-])c2sccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000020220437 220317276 /nfs/dbraw/zinc/31/72/76/220317276.db2.gz VWYOLFPTICRICJ-UHFFFAOYSA-N -1 0 369.395 2.491 50 0 FEAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022458961 220386871 /nfs/dbraw/zinc/38/68/71/220386871.db2.gz UTNSYSHBCDRBIQ-AWEZNQCLSA-N -1 0 361.446 2.281 50 0 FEAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(C)CC3)c([O-])n2n1 ZINC000022468367 220387265 /nfs/dbraw/zinc/38/72/65/220387265.db2.gz VUDTXCMMKSSLFB-AWEZNQCLSA-N -1 0 361.446 2.281 50 0 FEAARM [O-]c1c([C@@H](c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12 ZINC000022610070 220391354 /nfs/dbraw/zinc/39/13/54/220391354.db2.gz JRAVLTMEUUWOEH-GFCCVEGCSA-N -1 0 362.411 2.018 50 0 FEAARM Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCc4cc(=O)[n-]o4)C3)nc21 ZINC000077565662 542398614 /nfs/dbraw/zinc/39/86/14/542398614.db2.gz WTHKJNWKDQPMAT-ZDUSSCGKSA-N -1 0 354.410 2.491 50 0 FEAARM O=C([N-]OCc1ccccc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000025286954 220479878 /nfs/dbraw/zinc/47/98/78/220479878.db2.gz CRURZDPZHKYCQS-DLBZAZTESA-N -1 0 374.437 2.216 50 0 FEAARM O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCCCC3)c2c1 ZINC000032089097 220653511 /nfs/dbraw/zinc/65/35/11/220653511.db2.gz BTFMMAPTYJAZKA-IPLHWJFFSA-N -1 0 371.393 2.359 50 0 FEAARM COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1Br ZINC000037435104 220835532 /nfs/dbraw/zinc/83/55/32/220835532.db2.gz DDGBHUXVMUBSBP-GFCCVEGCSA-N -1 0 356.216 2.466 50 0 FEAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000048356069 221010420 /nfs/dbraw/zinc/01/04/20/221010420.db2.gz LYGMIPFNBJVOLH-UHFFFAOYSA-N -1 0 358.778 2.387 50 0 FEAARM COc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(O)c1 ZINC000058244844 221110332 /nfs/dbraw/zinc/11/03/32/221110332.db2.gz UNCZVKHNAIADMW-UHFFFAOYSA-N -1 0 358.394 2.162 50 0 FEAARM COc1ccc(OC2(C(=O)[O-])CCN(C(=O)N(C)C)CC2)c(Cl)c1 ZINC000063884548 221145140 /nfs/dbraw/zinc/14/51/40/221145140.db2.gz IXOHCFWEHHKVHB-UHFFFAOYSA-N -1 0 356.806 2.328 50 0 FEAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)cc2n(C)c1=O ZINC000064976625 221160991 /nfs/dbraw/zinc/16/09/91/221160991.db2.gz BAESRMHHDHNHBP-UHFFFAOYSA-N -1 0 369.805 2.470 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 ZINC000065196090 221178625 /nfs/dbraw/zinc/17/86/25/221178625.db2.gz QHXKVSAOJYRFEO-UHFFFAOYSA-N -1 0 366.464 2.462 50 0 FEAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)ccc1=O ZINC000065128865 221170940 /nfs/dbraw/zinc/17/09/40/221170940.db2.gz UQXKXANKPYNDNG-UHFFFAOYSA-N -1 0 365.411 2.449 50 0 FEAARM O=C(NCc1ccco1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000065249884 221188076 /nfs/dbraw/zinc/18/80/76/221188076.db2.gz IDEUHFPGVKACEC-UHFFFAOYSA-N -1 0 364.361 2.002 50 0 FEAARM CCCN1CCn2cc(S(=O)(=O)[N-]c3ccccc3OC)cc2C1=O ZINC000065254793 221189079 /nfs/dbraw/zinc/18/90/79/221189079.db2.gz HLCOCXMOWIIACH-UHFFFAOYSA-N -1 0 363.439 2.163 50 0 FEAARM COc1ccccc1C(=O)Nc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065399097 221211787 /nfs/dbraw/zinc/21/17/87/221211787.db2.gz LMVPNYZZVZHGMU-LBPRGKRZSA-N -1 0 354.362 2.385 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc2c[nH]nc21 ZINC000065591467 221234441 /nfs/dbraw/zinc/23/44/41/221234441.db2.gz RTKMLBJNBPHHEB-UHFFFAOYSA-N -1 0 353.762 2.474 50 0 FEAARM Cc1cccc(-c2ccc(C(=O)[O-])c(N3Cc4cnn(CCO)c4C3)n2)c1 ZINC000067473356 221256267 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CCn1ccnc1CN1CCC(Oc2ccccc2OC)(C(=O)[O-])CC1 ZINC000082161187 542686544 /nfs/dbraw/zinc/68/65/44/542686544.db2.gz OKSOEJSOLGZVHU-UHFFFAOYSA-N -1 0 359.426 2.410 50 0 FEAARM COc1cccc2ccc(N3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)nc21 ZINC000095378629 132209423 /nfs/dbraw/zinc/20/94/23/132209423.db2.gz KSURBXPCOUNMOL-CQSZACIVSA-N -1 0 369.421 2.145 50 0 FEAARM Cc1ccc2c(c1)N(Cc1nc(C3CCCC3)nn1CC(=O)[O-])C(=O)CO2 ZINC000097413379 132228659 /nfs/dbraw/zinc/22/86/59/132228659.db2.gz GONOSUHICKIJIB-UHFFFAOYSA-N -1 0 370.409 2.254 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccncc3)c2C)cc1 ZINC000089547768 542764712 /nfs/dbraw/zinc/76/47/12/542764712.db2.gz RHSBAISYLHZHDM-UHFFFAOYSA-N -1 0 372.406 2.368 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 ZINC000013436965 132867460 /nfs/dbraw/zinc/86/74/60/132867460.db2.gz NJBPMIXCZZSWLH-KRWDZBQOSA-N -1 0 355.346 2.340 50 0 FEAARM CN(C)c1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)cc1 ZINC000091635583 542817208 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221900939 /nfs/dbraw/zinc/90/09/39/221900939.db2.gz HDCNIWADTYCINT-HIFRSBDPSA-N -1 0 364.829 2.231 50 0 FEAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000097295357 222173593 /nfs/dbraw/zinc/17/35/93/222173593.db2.gz SICPKZGCZPWUJH-INIZCTEOSA-N -1 0 360.385 2.226 50 0 FEAARM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O ZINC000100015491 222231173 /nfs/dbraw/zinc/23/11/73/222231173.db2.gz WLHQHAUOOXYABV-UHFFFAOYSA-N -1 0 371.827 2.296 50 0 world FEAARM Cc1cc(C)n(C(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)n1 ZINC000098212027 222231193 /nfs/dbraw/zinc/23/11/93/222231193.db2.gz IBTMAEPMPRPAPC-UHFFFAOYSA-N -1 0 359.411 2.021 50 0 FEAARM COC(=O)Cc1cc(=O)n2nc(SCc3ccccc3Cl)[n-]c2n1 ZINC000100137602 222236360 /nfs/dbraw/zinc/23/63/60/222236360.db2.gz ADFKHJASMJDXJZ-UHFFFAOYSA-N -1 0 364.814 2.079 50 0 FEAARM COc1ccc(CCn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101417297 222274558 /nfs/dbraw/zinc/27/45/58/222274558.db2.gz CFAGGTXHLTVVRG-DLBZAZTESA-N -1 0 350.378 2.231 50 0 FEAARM COc1ccc(Br)cc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101675504 222280824 /nfs/dbraw/zinc/28/08/24/222280824.db2.gz XMIUXBIPLDQVFZ-JTQLQIEISA-N -1 0 351.160 2.033 50 0 FEAARM Cn1c(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2[n-]c1=S ZINC000102190084 222291032 /nfs/dbraw/zinc/29/10/32/222291032.db2.gz KQHMVIVGZQDIEH-UHFFFAOYSA-N -1 0 369.446 2.421 50 0 FEAARM Cc1cccc(Cn2cccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2=O)c1 ZINC000136110036 222544565 /nfs/dbraw/zinc/54/45/65/222544565.db2.gz ZRNMUQLHSPEFBQ-INIZCTEOSA-N -1 0 354.406 2.142 50 0 FEAARM COCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000162450686 222555408 /nfs/dbraw/zinc/55/54/08/222555408.db2.gz YPDRFBLIJONSDM-UHFFFAOYSA-N -1 0 354.815 2.108 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000133711453 544280585 /nfs/dbraw/zinc/28/05/85/544280585.db2.gz RXLQRTYGCOIOMG-LBPRGKRZSA-N -1 0 372.324 2.305 50 0 FEAARM CC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[C@H]1CCCO1 ZINC000152488287 544660888 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COC(=O)c1ccc(COc2cccc([C@@H]3N[C@@H](C(=O)[O-])CS3)c2)o1 ZINC000020606335 522046058 /nfs/dbraw/zinc/04/60/58/522046058.db2.gz YAYQIAFSAZSGGN-UKRRQHHQSA-N -1 0 363.391 2.433 50 0 FEAARM Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269038157 526272817 /nfs/dbraw/zinc/27/28/17/526272817.db2.gz PNXHOOLWMPATOG-IHVVCDCBSA-N -1 0 369.849 2.216 50 0 FEAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262078662 526275385 /nfs/dbraw/zinc/27/53/85/526275385.db2.gz DTMVNHDUFDSPTA-IBGZPJMESA-N -1 0 368.433 2.431 50 0 FEAARM O=C([O-])C1CCC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000268922652 527563362 /nfs/dbraw/zinc/56/33/62/527563362.db2.gz CBQVJOFGLIRUTH-UHFFFAOYSA-N -1 0 372.377 2.486 50 0 FEAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cccc(Cl)c2)CCC(=O)N1 ZINC000218478678 527600716 /nfs/dbraw/zinc/60/07/16/527600716.db2.gz KHAHIEGAIORDMU-KRWDZBQOSA-N -1 0 352.818 2.250 50 0 FEAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000165603916 546153502 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368.227 2.292 50 0 FEAARM CC(C)c1noc(-c2ccccc2C(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000299749310 528488166 /nfs/dbraw/zinc/48/81/66/528488166.db2.gz JXKMJNIJQSZOLU-GFCCVEGCSA-N -1 0 359.382 2.176 50 0 FEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000156942416 545680723 /nfs/dbraw/zinc/68/07/23/545680723.db2.gz UGVFIEUNGVNWFS-XJKSGUPXSA-N -1 0 373.478 2.149 50 0 FEAARM O=C1CCCc2cc(S(=O)(=O)[N-]c3cnn(CC4CC4)c3)ccc2N1 ZINC000174769468 546303009 /nfs/dbraw/zinc/30/30/09/546303009.db2.gz VSZWENMNAOJWJU-UHFFFAOYSA-N -1 0 360.439 2.369 50 0 FEAARM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)n2)c(C)s1 ZINC000179962983 547033525 /nfs/dbraw/zinc/03/35/25/547033525.db2.gz BBTSUNNRTCYGAC-UHFFFAOYSA-N -1 0 367.496 2.393 50 0 FEAARM COc1cc(CN(C)Cc2nnc(C)o2)c(Cl)cc1OCC(=O)[O-] ZINC000215044688 548668050 /nfs/dbraw/zinc/66/80/50/548668050.db2.gz AXOQLQDQHUZXNA-UHFFFAOYSA-N -1 0 355.778 2.135 50 0 FEAARM CC(C)Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)on1 ZINC000215805349 548674840 /nfs/dbraw/zinc/67/48/40/548674840.db2.gz DRPNDHNSHJLXQC-UHFFFAOYSA-N -1 0 365.455 2.053 50 0 FEAARM Cc1cccc2[nH]c(CN(C)C(=O)c3cc(CC(C)C)nc(=O)[nH]3)nc21 ZINC000216438118 548677927 /nfs/dbraw/zinc/67/79/27/548677927.db2.gz VZMOYTYPLABUIG-UHFFFAOYSA-N -1 0 353.426 2.425 50 0 FEAARM Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCCc2nc3ccccc3o2)n1 ZINC000221237639 548703499 /nfs/dbraw/zinc/70/34/99/548703499.db2.gz ZVUGJRTYYBMKIM-NSHDSACASA-N -1 0 358.423 2.059 50 0 FEAARM CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237248865 548812984 /nfs/dbraw/zinc/81/29/84/548812984.db2.gz IJNZEZAGIIDQAQ-NSHDSACASA-N -1 0 361.261 2.018 50 0 FEAARM Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2=O)cc1 ZINC000237729013 548847831 /nfs/dbraw/zinc/84/78/31/548847831.db2.gz IZMQHPAXMLVUGF-SJLPKXTDSA-N -1 0 372.465 2.447 50 0 FEAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 ZINC000237749148 548849734 /nfs/dbraw/zinc/84/97/34/548849734.db2.gz SYQWNNWTRMWAPI-GFCCVEGCSA-N -1 0 368.315 2.284 50 0 FEAARM O=C([O-])c1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)s1 ZINC000238021706 548873002 /nfs/dbraw/zinc/87/30/02/548873002.db2.gz FDNXCYSLOVZPHN-UHFFFAOYSA-N -1 0 358.419 2.499 50 0 FEAARM O=C([O-])CCN(C(=O)Cc1ccccc1Br)C1CCOCC1 ZINC000238065961 548875930 /nfs/dbraw/zinc/87/59/30/548875930.db2.gz PQBBYADUMVVXBO-UHFFFAOYSA-N -1 0 370.243 2.474 50 0 FEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000238097647 548877769 /nfs/dbraw/zinc/87/77/69/548877769.db2.gz WERHIGNOWMWYIQ-ZDUSSCGKSA-N -1 0 361.373 2.107 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000238113790 548878755 /nfs/dbraw/zinc/87/87/55/548878755.db2.gz SRJLJKNAAHAGHI-SFHVURJKSA-N -1 0 372.396 2.214 50 0 FEAARM O=C([O-])C1CCN(C(=O)CCN2CC(Oc3cccc(Cl)c3)C2)CC1 ZINC000252496785 549669915 /nfs/dbraw/zinc/66/99/15/549669915.db2.gz PRSGEJIEARNRRQ-UHFFFAOYSA-N -1 0 366.845 2.116 50 0 FEAARM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000253535983 549691673 /nfs/dbraw/zinc/69/16/73/549691673.db2.gz AUVYGMYXJGZACE-IACUBPJLSA-N -1 0 357.435 2.312 50 0 FEAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000262936456 549864424 /nfs/dbraw/zinc/86/44/24/549864424.db2.gz GZEBAUIKHKRFJI-GOSISDBHSA-N -1 0 367.401 2.460 50 0 FEAARM COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000285187647 551717675 /nfs/dbraw/zinc/71/76/75/551717675.db2.gz VXHMJVSPNZRPCI-MWLCHTKSSA-N -1 0 354.815 2.459 50 0 FEAARM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2CC1 ZINC000285347404 551741855 /nfs/dbraw/zinc/74/18/55/551741855.db2.gz VPQXWDILJUSJDJ-UHFFFAOYSA-N -1 0 363.439 2.039 50 0 FEAARM CO[C@]12CCN(C(=O)/C=C/c3ccccc3)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299797677 553615978 /nfs/dbraw/zinc/61/59/78/553615978.db2.gz OMLXUBNEZPNYRW-YSLAMIOMSA-N -1 0 359.422 2.340 50 0 FEAARM COc1ccc(C(=O)N2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)c(OC)c1 ZINC000426738982 559741187 /nfs/dbraw/zinc/74/11/87/559741187.db2.gz DHPHHXQDWFKFPA-ZDUSSCGKSA-N -1 0 373.409 2.005 50 0 FEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1 ZINC000073341114 571130962 /nfs/dbraw/zinc/13/09/62/571130962.db2.gz DJJWIWKFDUMRCN-UHFFFAOYSA-N -1 0 366.464 2.999 50 0 FEAARM CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000583801761 597118715 /nfs/dbraw/zinc/11/87/15/597118715.db2.gz MXQZTSLIYYNAFG-OLZOCXBDSA-N -1 0 363.414 2.379 50 0 FEAARM Cc1nn(C)c2nc(C)c(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc12 ZINC000663147124 601484401 /nfs/dbraw/zinc/48/44/01/601484401.db2.gz JNTGSMMVQWQEGK-QGZVFWFLSA-N -1 0 364.405 2.409 50 0 FEAARM COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])c(Br)c1 ZINC000659151796 678150478 /nfs/dbraw/zinc/15/04/78/678150478.db2.gz QSTZRKBCHZMGIY-ZDUSSCGKSA-N -1 0 356.216 2.466 50 0 FEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299768597 529387972 /nfs/dbraw/zinc/38/79/72/529387972.db2.gz LIWLZIDEKVBMBT-SFHVURJKSA-N -1 0 363.389 2.322 50 0 FEAARM CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)N(C(=O)c2ccccc2F)C1=O ZINC000001406507 539340857 /nfs/dbraw/zinc/34/08/57/539340857.db2.gz XRWBYGPMIPXHBK-LJQANCHMSA-N -1 0 354.337 2.392 50 0 FEAARM Cc1c(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000002102853 539344539 /nfs/dbraw/zinc/34/45/39/539344539.db2.gz XGERTZRNQOBHEX-NWDGAFQWSA-N -1 0 373.405 2.337 50 0 FEAARM Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)[O-])CC3)ccc12 ZINC000002117968 539344798 /nfs/dbraw/zinc/34/47/98/539344798.db2.gz SOWJLROCUXZHGD-UHFFFAOYSA-N -1 0 359.378 2.112 50 0 biogenic FEAARM CCC[C@H](NC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000002154823 539345388 /nfs/dbraw/zinc/34/53/88/539345388.db2.gz RVKHMPRQGMIINT-AWEZNQCLSA-N -1 0 361.394 2.418 50 0 biogenic FEAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H](C)O1 ZINC000001431535 539341760 /nfs/dbraw/zinc/34/17/60/539341760.db2.gz QJIWUZAKCHMZMA-YUMQZZPRSA-N -1 0 368.238 2.490 50 0 FEAARM O=C([O-])c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1 ZINC000002631684 539349866 /nfs/dbraw/zinc/34/98/66/539349866.db2.gz UVNKGGGHQLLTDY-CYBMUJFWSA-N -1 0 361.423 2.197 50 0 FEAARM C[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002270548 539346651 /nfs/dbraw/zinc/34/66/51/539346651.db2.gz TVVKFADETYGQFE-IEMQHYRPSA-N -1 0 356.353 2.186 50 0 FEAARM O=C([O-])CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000002948563 539356830 /nfs/dbraw/zinc/35/68/30/539356830.db2.gz KWIVRQHBCYQKAN-JLHYYAGUSA-N -1 0 362.769 2.295 50 0 FEAARM COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000003220017 539361232 /nfs/dbraw/zinc/36/12/32/539361232.db2.gz UYZVOBZDHCEWGY-OAHLLOKOSA-N -1 0 369.826 2.323 50 0 FEAARM COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000004702386 539390588 /nfs/dbraw/zinc/39/05/88/539390588.db2.gz IDGAJPAIDZLTCV-NTEUORMPSA-N -1 0 368.345 2.256 50 0 FEAARM O=C([O-])CC[C@]1(CCC(=O)NCc2cc(F)c(F)cc2F)CCC(=O)N1 ZINC000218618980 222685006 /nfs/dbraw/zinc/68/50/06/222685006.db2.gz RZCHQDMCCYKXAV-KRWDZBQOSA-N -1 0 372.343 2.014 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000005328928 539408236 /nfs/dbraw/zinc/40/82/36/539408236.db2.gz PPCJSYUTYKIGQJ-UHFFFAOYSA-N -1 0 372.493 2.397 50 0 FEAARM O=C1N[C@H](c2ccccn2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000005572601 539413166 /nfs/dbraw/zinc/41/31/66/539413166.db2.gz GYLRWBUJBMENNA-GYSYKLTISA-N -1 0 371.340 2.247 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000005985511 539420044 /nfs/dbraw/zinc/42/00/44/539420044.db2.gz JENCGTLKHWHARC-UHFFFAOYSA-N -1 0 363.391 2.435 50 0 FEAARM CCOc1ccc(NC(=O)C(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000006693808 539434719 /nfs/dbraw/zinc/43/47/19/539434719.db2.gz NZNZWWSDEIOVBC-UHFFFAOYSA-N -1 0 352.346 2.454 50 0 FEAARM CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)ccc21 ZINC000007360916 539455772 /nfs/dbraw/zinc/45/57/72/539455772.db2.gz LLUUYYQYAJXKED-UHFFFAOYSA-N -1 0 360.391 2.095 50 0 FEAARM O=c1nc(CSc2nnnn2Cc2cccs2)[n-]c2ccsc21 ZINC000008013635 539474900 /nfs/dbraw/zinc/47/49/00/539474900.db2.gz KLOXGBPQFLQEPQ-UHFFFAOYSA-N -1 0 362.465 2.373 50 0 FEAARM C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000012629574 539569035 /nfs/dbraw/zinc/56/90/35/539569035.db2.gz OPUOIGWECVVBDR-OAHLLOKOSA-N -1 0 360.454 2.227 50 0 FEAARM COc1ccc(C(=O)[O-])c(O[C@H](C)C(=O)NCc2ccccc2OC)c1 ZINC000013315768 539585803 /nfs/dbraw/zinc/58/58/03/539585803.db2.gz UKNDBJVGPYCJRO-GFCCVEGCSA-N -1 0 359.378 2.486 50 0 FEAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@H](C(=O)[O-])C3 ZINC000020567624 539675513 /nfs/dbraw/zinc/67/55/13/539675513.db2.gz GVXNLVXOYWTIND-RDJZCZTQSA-N -1 0 361.401 2.364 50 0 FEAARM CS(=O)(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000023625763 539717665 /nfs/dbraw/zinc/71/76/65/539717665.db2.gz DRLXKHKMJCXTTH-UHFFFAOYSA-N -1 0 354.428 2.422 50 0 FEAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCOCC1 ZINC000000687773 219313091 /nfs/dbraw/zinc/31/30/91/219313091.db2.gz KQIBWCADENTLOS-UHFFFAOYSA-N -1 0 352.437 2.021 50 0 FEAARM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000026549025 539789720 /nfs/dbraw/zinc/78/97/20/539789720.db2.gz BGPCHLWTFMADAK-UHFFFAOYSA-N -1 0 352.387 2.094 50 0 FEAARM Cc1ccc(S(=O)(=O)CCc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000000896606 219338258 /nfs/dbraw/zinc/33/82/58/219338258.db2.gz XISARPGZEHVHTA-UHFFFAOYSA-N -1 0 358.419 2.446 50 0 FEAARM CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001076277 219365410 /nfs/dbraw/zinc/36/54/10/219365410.db2.gz BZKLYQUGIGVHPV-UHFFFAOYSA-N -1 0 351.380 2.350 50 0 FEAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000001088131 219367161 /nfs/dbraw/zinc/36/71/61/219367161.db2.gz BUFLGPZTYBJDPG-IAGOWNOFSA-N -1 0 358.419 2.254 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)no1 ZINC000001113509 219371355 /nfs/dbraw/zinc/37/13/55/219371355.db2.gz JDDUPKSHDBXIGO-UHFFFAOYSA-N -1 0 358.379 2.431 50 0 FEAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)s1 ZINC000033048523 539965298 /nfs/dbraw/zinc/96/52/98/539965298.db2.gz DWWZCQIZGOEGAK-UHFFFAOYSA-N -1 0 352.437 2.388 50 0 FEAARM O=C([O-])c1cc(Br)cc(S(=O)(=O)NCc2ccncc2)c1 ZINC000033856297 539975789 /nfs/dbraw/zinc/97/57/89/539975789.db2.gz HNGMFLBHVYOUTC-UHFFFAOYSA-N -1 0 371.212 2.021 50 0 FEAARM CN(C[C@@H]1COCCO1)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000035510967 539983401 /nfs/dbraw/zinc/98/34/01/539983401.db2.gz PIOBMWNMCCOPDS-MRXNPFEDSA-N -1 0 370.405 2.489 50 0 FEAARM O=C([O-])[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000001677750 219415412 /nfs/dbraw/zinc/41/54/12/219415412.db2.gz WZWYZPFOTAVDKN-KRWDZBQOSA-N -1 0 354.406 2.470 50 0 FEAARM CCCC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000002107120 219427356 /nfs/dbraw/zinc/42/73/56/219427356.db2.gz YQSVIOLXHVQCNK-OAHLLOKOSA-N -1 0 361.394 2.412 50 0 biogenic FEAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000002287578 219435895 /nfs/dbraw/zinc/43/58/95/219435895.db2.gz QVZGIXXEDINKGE-WIOAZZGGSA-N -1 0 368.389 2.055 50 0 FEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000238013970 222912694 /nfs/dbraw/zinc/91/26/94/222912694.db2.gz UUYLVBDPPFYHCR-SJORKVTESA-N -1 0 358.438 2.139 50 0 FEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000238046943 222914040 /nfs/dbraw/zinc/91/40/40/222914040.db2.gz XKLQFQKHSJWUCI-CYBMUJFWSA-N -1 0 366.402 2.252 50 0 FEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3cccc(Br)c3o2)CCO1 ZINC000043702714 540106772 /nfs/dbraw/zinc/10/67/72/540106772.db2.gz YMBGUHCYFGSRRZ-NSHDSACASA-N -1 0 354.156 2.121 50 0 FEAARM COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1OC ZINC000047030412 540286052 /nfs/dbraw/zinc/28/60/52/540286052.db2.gz YLJWVQHYTMKEEA-UHFFFAOYSA-N -1 0 355.343 2.342 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1csc(-c2ncccn2)n1 ZINC000299753358 223080266 /nfs/dbraw/zinc/08/02/66/223080266.db2.gz XZFIVMMMJNSKFQ-DRZSPHRISA-N -1 0 358.423 2.458 50 0 FEAARM CCOc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(OCC)cc1C ZINC000011566076 219920711 /nfs/dbraw/zinc/92/07/11/219920711.db2.gz IAUURFBFFFJYJA-UHFFFAOYSA-N -1 0 371.455 2.278 50 0 FEAARM CCOc1ccccc1NC(=O)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000012521380 220001761 /nfs/dbraw/zinc/00/17/61/220001761.db2.gz GMUFCTBFNMQHCD-UHFFFAOYSA-N -1 0 355.441 2.095 50 0 FEAARM COc1cc(C)ccc1OCC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000069571748 541697148 /nfs/dbraw/zinc/69/71/48/541697148.db2.gz DWXGCAJUZPOIOJ-UHFFFAOYSA-N -1 0 355.437 2.257 50 0 FEAARM CC(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c(=O)[nH]c1C ZINC000072164137 541793164 /nfs/dbraw/zinc/79/31/64/541793164.db2.gz CILDZLRPOLBFPJ-ZDUSSCGKSA-N -1 0 368.389 2.214 50 0 FEAARM O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(C(=O)c2cc[nH]n2)CC1 ZINC000072419051 541808501 /nfs/dbraw/zinc/80/85/01/541808501.db2.gz YMJJRJSUWUDOJQ-UHFFFAOYSA-N -1 0 355.394 2.037 50 0 FEAARM Cc1nc(C(C)C)ncc1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072428926 541811782 /nfs/dbraw/zinc/81/17/82/541811782.db2.gz SOJTVKRPFSOUHT-UHFFFAOYSA-N -1 0 371.441 2.168 50 0 FEAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)CCc2cccc(F)c2)CC1 ZINC000072480409 541821814 /nfs/dbraw/zinc/82/18/14/541821814.db2.gz XXTDVNDOLONRSF-UHFFFAOYSA-N -1 0 359.401 2.366 50 0 FEAARM CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)[O-] ZINC000012896980 220040074 /nfs/dbraw/zinc/04/00/74/220040074.db2.gz XFRFANNACSSJLF-ZBEGNZNMSA-N -1 0 350.415 2.271 50 0 FEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000013032221 220055026 /nfs/dbraw/zinc/05/50/26/220055026.db2.gz WQOPQZCNYPPWDC-UHFFFAOYSA-N -1 0 360.391 2.312 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000013058943 220055936 /nfs/dbraw/zinc/05/59/36/220055936.db2.gz VSKDLOSEFMDUPT-UHFFFAOYSA-N -1 0 350.396 2.463 50 0 FEAARM COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])cc1OC ZINC000013263135 220062146 /nfs/dbraw/zinc/06/21/46/220062146.db2.gz MHWUTEGNRHQNQI-UHFFFAOYSA-N -1 0 373.333 2.481 50 0 FEAARM CCOc1ccccc1OCC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000013392994 220067026 /nfs/dbraw/zinc/06/70/26/220067026.db2.gz HKTPZCWSXJRSOE-UHFFFAOYSA-N -1 0 359.378 2.487 50 0 FEAARM COc1ccc(CNC(=O)COc2ccc(C)cc2OC)cc1C(=O)[O-] ZINC000013392608 220067369 /nfs/dbraw/zinc/06/73/69/220067369.db2.gz FCDZEZRAQVBETR-UHFFFAOYSA-N -1 0 359.378 2.406 50 0 FEAARM COc1ccc(CNC(=O)c2cc(OC)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000013393175 220067555 /nfs/dbraw/zinc/06/75/55/220067555.db2.gz WRZFFTNKXOIBSO-UHFFFAOYSA-N -1 0 373.361 2.103 50 0 FEAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000013455946 220067923 /nfs/dbraw/zinc/06/79/23/220067923.db2.gz XUIDFPGEGRNXIA-ZETCQYMHSA-N -1 0 354.211 2.101 50 0 FEAARM Cc1nnc(SCc2nnnn2-c2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000013549739 220073911 /nfs/dbraw/zinc/07/39/11/220073911.db2.gz LTAYMXUPNJKUFY-UHFFFAOYSA-N -1 0 370.225 2.048 50 0 FEAARM O=c1cc(CSc2nnnn2-c2ccccc2)[n-]n1-c1ccccc1 ZINC000013571047 220076011 /nfs/dbraw/zinc/07/60/11/220076011.db2.gz CYKFDEQCXQZHFV-UHFFFAOYSA-N -1 0 350.407 2.434 50 0 FEAARM Cc1c([O-])c2c(c(C=O)c1O)OC[C@@H](Cc1ccc3c(c1)OCO3)C2=O ZINC000014757601 220131604 /nfs/dbraw/zinc/13/16/04/220131604.db2.gz AQUXTCZWTTUERG-LLVKDONJSA-N -1 0 356.330 2.381 50 0 biogenic,in-vitro FEAARM Cc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc3c(c1)CCCC3)c2=O ZINC000015942084 220172504 /nfs/dbraw/zinc/17/25/04/220172504.db2.gz LDYKXMBGFRUBTM-UHFFFAOYSA-N -1 0 373.438 2.126 50 0 FEAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020602672 220334602 /nfs/dbraw/zinc/33/46/02/220334602.db2.gz KEMQGCPCYRFAGS-UHFFFAOYSA-N -1 0 371.372 2.371 50 0 FEAARM [O-]c1c([C@H](c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12 ZINC000022610066 220391656 /nfs/dbraw/zinc/39/16/56/220391656.db2.gz JRAVLTMEUUWOEH-LBPRGKRZSA-N -1 0 362.411 2.018 50 0 FEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1c(F)cccc1F ZINC000057120497 221083858 /nfs/dbraw/zinc/08/38/58/221083858.db2.gz OFZBHSXFAMHFNB-UHFFFAOYSA-N -1 0 357.334 2.497 50 0 FEAARM Cc1cc(F)ccc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057116252 221084086 /nfs/dbraw/zinc/08/40/86/221084086.db2.gz MYMWIUCLXXQPIZ-UHFFFAOYSA-N -1 0 367.354 2.404 50 0 FEAARM Cc1ccc(F)cc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057115869 221084176 /nfs/dbraw/zinc/08/41/76/221084176.db2.gz BJNJFJSJJSXXFV-UHFFFAOYSA-N -1 0 367.354 2.404 50 0 FEAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c1 ZINC000065119267 221169667 /nfs/dbraw/zinc/16/96/67/221169667.db2.gz ZFTBWBHAKZYQBA-UHFFFAOYSA-N -1 0 363.420 2.308 50 0 FEAARM Cc1cc(C)c2[nH]c(=O)c([C@H]3CC(=O)Nc4[nH]nc(C(=O)[O-])c43)cc2c1 ZINC000067723742 221277076 /nfs/dbraw/zinc/27/70/76/221277076.db2.gz RNIIYDPLIXQJPQ-SNVBAGLBSA-N -1 0 352.350 2.040 50 0 FEAARM C[C@H](COc1ccccc1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069415260 221324855 /nfs/dbraw/zinc/32/48/55/221324855.db2.gz WJIFCXCFXOMAOR-LLVKDONJSA-N -1 0 355.419 2.409 50 0 FEAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1COc2ccccc2C1 ZINC000069525675 221326540 /nfs/dbraw/zinc/32/65/40/221326540.db2.gz OGWJQOIICSKHEG-LLVKDONJSA-N -1 0 353.346 2.021 50 0 FEAARM O=C([O-])c1cc(-c2cccnc2)cc(S(=O)(=O)NCc2ccccn2)c1 ZINC000071730191 221356472 /nfs/dbraw/zinc/35/64/72/221356472.db2.gz HKXXXZDTDNAQJO-UHFFFAOYSA-N -1 0 369.402 2.320 50 0 FEAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000072423161 221510892 /nfs/dbraw/zinc/51/08/92/221510892.db2.gz KGPIPRBZYZXABJ-HNNXBMFYSA-N -1 0 357.435 2.002 50 0 FEAARM CS(=O)(=O)Nc1cc2ncn(CCc3ccccc3)c2c(C(=O)[O-])c1 ZINC000299767420 533417700 /nfs/dbraw/zinc/41/77/00/533417700.db2.gz RKUUSJODSSBQOS-UHFFFAOYSA-N -1 0 359.407 2.349 50 0 FEAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cnc(C)nc2)CC1 ZINC000082134291 542685202 /nfs/dbraw/zinc/68/52/02/542685202.db2.gz XIVYBSMXHZTIRE-UHFFFAOYSA-N -1 0 357.410 2.292 50 0 FEAARM COCCCN1C[C@@]2(CCCN(c3ncccc3C(=O)[O-])C2)CCC1=O ZINC000077471097 132187139 /nfs/dbraw/zinc/18/71/39/132187139.db2.gz XRBNFLZLQKVNSV-LJQANCHMSA-N -1 0 361.442 2.025 50 0 FEAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2 ZINC000091769518 542824333 /nfs/dbraw/zinc/82/43/33/542824333.db2.gz KUSXLCNGZARLTR-OAHLLOKOSA-N -1 0 373.453 2.074 50 0 FEAARM Cc1cc(C)cc(CCC(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c1 ZINC000095371723 542962649 /nfs/dbraw/zinc/96/26/49/542962649.db2.gz QOMSDSQHWWQKQH-QGZVFWFLSA-N -1 0 372.465 2.160 50 0 FEAARM Cc1csc2c1ncnc2N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067783889 136137589 /nfs/dbraw/zinc/13/75/89/136137589.db2.gz ZAJNRSJHOHQJIU-LLVKDONJSA-N -1 0 358.427 2.206 50 0 FEAARM CCCc1cncnc1N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072128182 136142237 /nfs/dbraw/zinc/14/22/37/136142237.db2.gz SIYUUHMLXJTKKK-INIZCTEOSA-N -1 0 372.469 2.111 50 0 FEAARM COCCCN1CCC[C@]2(CCN(C(=O)c3c([O-])cccc3F)C2)C1=O ZINC000095356028 542958330 /nfs/dbraw/zinc/95/83/30/542958330.db2.gz HJQHWCFSCDHGRJ-LJQANCHMSA-N -1 0 364.417 2.023 50 0 FEAARM COCc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000095383493 542965390 /nfs/dbraw/zinc/96/53/90/542965390.db2.gz JJQPRUSUVJRLLG-KRWDZBQOSA-N -1 0 374.462 2.478 50 0 FEAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cc(F)ccc1Cl)CC2 ZINC000095379904 542965497 /nfs/dbraw/zinc/96/54/97/542965497.db2.gz QIDKHAQISUONLO-LBPRGKRZSA-N -1 0 368.792 2.017 50 0 FEAARM COc1cc(C)c(S(=O)(=O)[N-]c2nc3ccc(F)cn3n2)cc1C ZINC000095466257 542971717 /nfs/dbraw/zinc/97/17/17/542971717.db2.gz UQDPGVUMQQRWOX-UHFFFAOYSA-N -1 0 350.375 2.295 50 0 FEAARM O=C([O-])[C@]1(NC(=O)C2CCN(C(=O)C3CC3)CC2)CCCc2ccccc21 ZINC000095507551 542976108 /nfs/dbraw/zinc/97/61/08/542976108.db2.gz YIMLHIBFJXTTAF-NRFANRHFSA-N -1 0 370.449 2.068 50 0 FEAARM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000095969453 542984387 /nfs/dbraw/zinc/98/43/87/542984387.db2.gz SDRAAOJFXNSXOD-OAHLLOKOSA-N -1 0 366.845 2.418 50 0 FEAARM COCCc1nc(Cc2cccc(O)c2)n(-c2ccccc2C(=O)[O-])n1 ZINC000096149262 542993777 /nfs/dbraw/zinc/99/37/77/542993777.db2.gz DSQXCYPDTLSPLA-UHFFFAOYSA-N -1 0 353.378 2.451 50 0 FEAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@H](Oc2cccnc2)C1 ZINC000119616587 543669715 /nfs/dbraw/zinc/66/97/15/543669715.db2.gz CSGCEAKSVCEZSM-INIZCTEOSA-N -1 0 368.368 2.406 50 0 FEAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc2[n-]c1=S ZINC000126670045 543949443 /nfs/dbraw/zinc/94/94/43/543949443.db2.gz VYTYRYBNDXTYLG-XNRPHZJLSA-N -1 0 373.478 2.393 50 0 FEAARM CN(Cc1ccc2nonc2c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077406691 221620629 /nfs/dbraw/zinc/62/06/29/221620629.db2.gz QRTAUYZGXJBLQN-UHFFFAOYSA-N -1 0 362.349 2.409 50 0 FEAARM CC[C@H](CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000095464476 221912733 /nfs/dbraw/zinc/91/27/33/221912733.db2.gz RGRPFBZQNZOKHY-WBVHZDCISA-N -1 0 360.454 2.352 50 0 FEAARM COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096114147 222031121 /nfs/dbraw/zinc/03/11/21/222031121.db2.gz NJBMBVVBJRTOSZ-ZDUSSCGKSA-N -1 0 374.780 2.454 50 0 FEAARM CCCCC[C@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)C(=O)[O-] ZINC000095989694 221986823 /nfs/dbraw/zinc/98/68/23/221986823.db2.gz VHEKBMBNFAQOBI-AWEZNQCLSA-N -1 0 356.444 2.212 50 0 FEAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N(C)C)nc2N(C)C)c(C)c1 ZINC000096098783 222022180 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ZINC000002417471 539348049 /nfs/dbraw/zinc/34/80/49/539348049.db2.gz FKKGPBFCUMTGNS-LBPRGKRZSA-N -1 0 373.405 2.420 50 0 FEAARM CC(C)(C)OC(=O)NCCN(CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000002567631 539349553 /nfs/dbraw/zinc/34/95/53/539349553.db2.gz LHHFRSUKEDBJFS-UHFFFAOYSA-N -1 0 352.387 2.235 50 0 FEAARM Cc1c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000002146399 539345802 /nfs/dbraw/zinc/34/58/02/539345802.db2.gz SGVNJFZPBKZUDH-KRWDZBQOSA-N -1 0 373.405 2.194 50 0 biogenic FEAARM CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003234079 539360856 /nfs/dbraw/zinc/36/08/56/539360856.db2.gz HPTIFMDZYFQKHI-LDYMZIIASA-N -1 0 350.234 2.227 50 0 FEAARM O=C([O-])c1ccc(CNC(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000003372445 539364586 /nfs/dbraw/zinc/36/45/86/539364586.db2.gz BPWIMEWXGRDZFQ-UHFFFAOYSA-N -1 0 359.363 2.436 50 0 FEAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000003640625 539373370 /nfs/dbraw/zinc/37/33/70/539373370.db2.gz QUWHLOBHPRYVHJ-LLVKDONJSA-N -1 0 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COc1cc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc(OC)c1OC ZINC000012409464 539558221 /nfs/dbraw/zinc/55/82/21/539558221.db2.gz CMKSIMVJKNDLRP-SECBINFHSA-N -1 0 373.361 2.012 50 0 FEAARM O=C(NCc1ccco1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012627997 539569312 /nfs/dbraw/zinc/56/93/12/539569312.db2.gz XAXRAQRMDMKOON-UHFFFAOYSA-N -1 0 363.420 2.467 50 0 FEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000020614511 539675826 /nfs/dbraw/zinc/67/58/26/539675826.db2.gz FSILKHSSSZLQAU-UHFFFAOYSA-N -1 0 362.817 2.043 50 0 FEAARM CC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1 ZINC000025665219 539765683 /nfs/dbraw/zinc/76/56/83/539765683.db2.gz FCSRIEYWAOJMGK-KRWDZBQOSA-N -1 0 366.373 2.260 50 0 FEAARM COc1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nc(C)c1Cl ZINC000000849619 219330723 /nfs/dbraw/zinc/33/07/23/219330723.db2.gz WMLLRESRUDXXJL-UHFFFAOYSA-N -1 0 370.818 2.206 50 0 FEAARM CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000000938052 219343579 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O=C([O-])C1CCN(c2nccnc2N2CCN(c3ccccc3)CC2)CC1 ZINC000040478760 540010266 /nfs/dbraw/zinc/01/02/66/540010266.db2.gz XPALVQVZEFSLSC-UHFFFAOYSA-N -1 0 367.453 2.104 50 0 FEAARM CN1C(=O)c2cccc3cc(S(=O)(=O)[N-]c4nccs4)cc(c32)C1=O ZINC000041124773 540012889 /nfs/dbraw/zinc/01/28/89/540012889.db2.gz HYKYPJNLRKTLIR-UHFFFAOYSA-N -1 0 373.415 2.323 50 0 FEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000237727381 222909378 /nfs/dbraw/zinc/90/93/78/222909378.db2.gz GSKJTXXJYZIZJO-UHFFFAOYSA-N -1 0 361.373 2.026 50 0 FEAARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC ZINC000042256512 540056798 /nfs/dbraw/zinc/05/67/98/540056798.db2.gz ZZMMFSPBDHWKBU-UHFFFAOYSA-N -1 0 371.361 2.491 50 0 FEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000299744327 223079498 /nfs/dbraw/zinc/07/94/98/223079498.db2.gz RZMWUUBTYHNLJV-INIZCTEOSA-N -1 0 373.430 2.207 50 0 FEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1S(C)(=O)=O ZINC000299354026 223078514 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C[C@H](SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000012814127 220033075 /nfs/dbraw/zinc/03/30/75/220033075.db2.gz SKYOBMGKUYKJRS-LBPRGKRZSA-N -1 0 350.440 2.070 50 0 FEAARM COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000012892695 220039191 /nfs/dbraw/zinc/03/91/91/220039191.db2.gz ZVZYXODMIYOIQV-AWEZNQCLSA-N -1 0 350.415 2.271 50 0 FEAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)[O-])OC(C)(C)CC3 ZINC000012899174 220039776 /nfs/dbraw/zinc/03/97/76/220039776.db2.gz SFDKDSAXUQBGSC-UHFFFAOYSA-N -1 0 373.405 2.338 50 0 FEAARM COC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000012918813 220042831 /nfs/dbraw/zinc/04/28/31/220042831.db2.gz MSJINNRMFFKYLL-UHFFFAOYSA-N -1 0 353.327 2.111 50 0 FEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000013259962 220062549 /nfs/dbraw/zinc/06/25/49/220062549.db2.gz STWFGZBXSFJTSS-SFHVURJKSA-N -1 0 366.417 2.235 50 0 FEAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]C3CCCCCC3)c(=O)n12 ZINC000013364284 220065446 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COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000006352298 539425952 /nfs/dbraw/zinc/42/59/52/539425952.db2.gz IPCNAVYITIFCCD-UHFFFAOYSA-N -1 0 357.409 2.353 50 0 FEAARM Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3cccs3)C2)c(=O)o1 ZINC000006719499 539434743 /nfs/dbraw/zinc/43/47/43/539434743.db2.gz UUGNVBGERQZVGQ-NSHDSACASA-N -1 0 370.390 2.125 50 0 FEAARM NC(=O)c1cc(-c2csc(CC(=O)NCc3ccccc3)n2)ccc1O ZINC000008103439 539477379 /nfs/dbraw/zinc/47/73/79/539477379.db2.gz NGQUNVHIYLVTLM-UHFFFAOYSA-N -1 0 367.430 2.474 50 0 FEAARM CCCCn1nc(C(=O)N2CCC(C(=O)[O-])CC2)c2ccccc2c1=O ZINC000008156426 539478507 /nfs/dbraw/zinc/47/85/07/539478507.db2.gz ZEMFNMNMXSFASL-UHFFFAOYSA-N -1 0 357.410 2.133 50 0 FEAARM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1=O ZINC000008961555 539494734 /nfs/dbraw/zinc/49/47/34/539494734.db2.gz FCTDZJSUKTVTLW-UHFFFAOYSA-N -1 0 368.361 2.230 50 0 FEAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c(OC)c1 ZINC000009572740 539504898 /nfs/dbraw/zinc/50/48/98/539504898.db2.gz 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ZINC000023232017 539709492 /nfs/dbraw/zinc/70/94/92/539709492.db2.gz SVVVCNHNOOPRBX-VIFPVBQESA-N -1 0 374.392 2.281 50 0 FEAARM O=C([O-])Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000608296 219305753 /nfs/dbraw/zinc/30/57/53/219305753.db2.gz IULOBWFWYDMECP-UHFFFAOYSA-N -1 0 353.827 2.488 50 0 in-man FEAARM O=C([N-]OCc1ccccc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000025286959 539753711 /nfs/dbraw/zinc/75/37/11/539753711.db2.gz CRURZDPZHKYCQS-SJORKVTESA-N -1 0 374.437 2.216 50 0 FEAARM O=C([O-])c1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000001022941 219353980 /nfs/dbraw/zinc/35/39/80/219353980.db2.gz LXGGWYDJSIWYCT-UHFFFAOYSA-N -1 0 352.346 2.400 50 0 FEAARM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2[nH]1 ZINC000001056704 219360961 /nfs/dbraw/zinc/36/09/61/219360961.db2.gz MGVKBWJFXGLPMH-UHFFFAOYSA-N -1 0 374.241 2.481 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000001079185 219366420 /nfs/dbraw/zinc/36/64/20/219366420.db2.gz KGGRFBIJIJRWIJ-UHFFFAOYSA-N -1 0 366.346 2.376 50 0 FEAARM CCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000001116628 219372929 /nfs/dbraw/zinc/37/29/29/219372929.db2.gz BZSDMGIHGQKNOG-UHFFFAOYSA-N -1 0 362.407 2.487 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000028258730 539828872 /nfs/dbraw/zinc/82/88/72/539828872.db2.gz LQEOEBDIMPHWIQ-UHFFFAOYSA-N -1 0 368.798 2.246 50 0 FEAARM Cc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)[n-]c2=O)cc1 ZINC000032778612 539953087 /nfs/dbraw/zinc/95/30/87/539953087.db2.gz MGMHLBNTHVHYDL-UHFFFAOYSA-N -1 0 358.345 2.323 50 0 FEAARM C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(Br)cc1 ZINC000035302532 539979670 /nfs/dbraw/zinc/97/96/70/539979670.db2.gz MLJYLSPMOPFFAF-ZWNOBZJWSA-N -1 0 355.232 2.175 50 0 FEAARM CN(C[C@H]1COCCO1)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000035510968 539983368 /nfs/dbraw/zinc/98/33/68/539983368.db2.gz PIOBMWNMCCOPDS-INIZCTEOSA-N -1 0 370.405 2.489 50 0 FEAARM C[C@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396610 540009953 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CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000299748936 223080818 /nfs/dbraw/zinc/08/08/18/223080818.db2.gz INXHQSRAZSXGBK-OAHLLOKOSA-N -1 0 373.796 2.311 50 0 FEAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)CCn2ccnc2)CC1 ZINC000072410070 541806447 /nfs/dbraw/zinc/80/64/47/541806447.db2.gz JRVDHFBOAOCNKF-UHFFFAOYSA-N -1 0 357.410 2.106 50 0 FEAARM COc1ccc(C)cc1NC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072410713 541807428 /nfs/dbraw/zinc/80/74/28/541807428.db2.gz HQXJPBWCAOAMQJ-UHFFFAOYSA-N -1 0 358.398 2.265 50 0 FEAARM CN(C)c1cccc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072429111 541811700 /nfs/dbraw/zinc/81/17/00/541811700.db2.gz MTDZAOZQTVQRND-UHFFFAOYSA-N -1 0 356.426 2.012 50 0 FEAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)Cc2ccccn2)CC1 ZINC000072429517 541812049 /nfs/dbraw/zinc/81/20/49/541812049.db2.gz VKXYUCJZLVXSMU-UHFFFAOYSA-N -1 0 358.369 2.288 50 0 FEAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072454800 541816936 /nfs/dbraw/zinc/81/69/36/541816936.db2.gz KTZZGYHNDOVRJG-HXUWFJFHSA-N -1 0 368.437 2.160 50 0 FEAARM Cc1c(C(=O)[O-])sc2[nH]c(Cc3nc4ccccc4n3C)nc(=O)c12 ZINC000012604442 220013190 /nfs/dbraw/zinc/01/31/90/220013190.db2.gz AMSDWJPHHZXHLU-UHFFFAOYSA-N -1 0 354.391 2.469 50 0 FEAARM Cc1ccccc1CN(C)C(=O)Cc1csc([N-]S(C)(=O)=O)n1 ZINC000012785228 220029690 /nfs/dbraw/zinc/02/96/90/220029690.db2.gz PLODYAZLBXGXNB-UHFFFAOYSA-N -1 0 353.469 2.024 50 0 FEAARM O=C([O-])CCCNC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000012979926 220048882 /nfs/dbraw/zinc/04/88/82/220048882.db2.gz XOLPTBGCLXSFIZ-UHFFFAOYSA-N -1 0 360.439 2.218 50 0 FEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000013005297 220051431 /nfs/dbraw/zinc/05/14/31/220051431.db2.gz MCSWJZPUYLPVAK-CABCVRRESA-N -1 0 353.382 2.281 50 0 FEAARM Cc1cc(C)c2c(n1)nc(SCC(=O)NCCc1ccccc1)[nH]c2=O ZINC000013126106 220058947 /nfs/dbraw/zinc/05/89/47/220058947.db2.gz QYMBDYGMODPICV-UHFFFAOYSA-N -1 0 368.462 2.386 50 0 FEAARM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388658 220066103 /nfs/dbraw/zinc/06/61/03/220066103.db2.gz UJRZSQNGOVNVMB-LBPRGKRZSA-N -1 0 353.421 2.097 50 0 FEAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)no1 ZINC000016641610 220188776 /nfs/dbraw/zinc/18/87/76/220188776.db2.gz BJXHWSNIYIMJCC-UHFFFAOYSA-N -1 0 364.408 2.493 50 0 FEAARM O=c1c2c3c(sc2[n-]c(=S)n1CCCN1CCOCC1)CCC3 ZINC000017072969 220201845 /nfs/dbraw/zinc/20/18/45/220201845.db2.gz FWYPMLCOVWODRH-UHFFFAOYSA-N -1 0 351.497 2.332 50 0 FEAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)N[C@H](C)CC)cc1 ZINC000075476426 542181672 /nfs/dbraw/zinc/18/16/72/542181672.db2.gz KZTYSIKFDDVGOZ-LLVKDONJSA-N -1 0 366.443 2.138 50 0 FEAARM Cn1nnnc1S[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000019957090 220307091 /nfs/dbraw/zinc/30/70/91/220307091.db2.gz IMHBZEWMEWLJIZ-CQSZACIVSA-N -1 0 369.406 2.380 50 0 FEAARM COc1cccc(-c2nc(C(=O)NCCC(=O)[O-])nn2-c2ccccc2)c1 ZINC000030834308 220628308 /nfs/dbraw/zinc/62/83/08/220628308.db2.gz 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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237681086 548844841 /nfs/dbraw/zinc/84/48/41/548844841.db2.gz CONWHMPGNASFIS-LLVKDONJSA-N -1 0 368.748 2.368 50 0 FEAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237689401 548844862 /nfs/dbraw/zinc/84/48/62/548844862.db2.gz YZIJUUWAQPJHAR-SFHVURJKSA-N -1 0 368.437 2.263 50 0 FEAARM Cn1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1C(=O)[O-] ZINC000237700531 548845534 /nfs/dbraw/zinc/84/55/34/548845534.db2.gz FWTQBLWSTXEUHM-UHFFFAOYSA-N -1 0 352.387 2.216 50 0 FEAARM O=C([O-])[C@H]1CCCN1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000238093518 548877835 /nfs/dbraw/zinc/87/78/35/548877835.db2.gz BPORDMXUNANYLR-LJQANCHMSA-N -1 0 368.433 2.431 50 0 FEAARM Cc1ccccc1-c1noc(CCCC(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC000244748776 548895401 /nfs/dbraw/zinc/89/54/01/548895401.db2.gz OOEMSMUWYCQODZ-UHFFFAOYSA-N -1 0 373.409 2.118 50 0 FEAARM Cn1ccc2c1cccc2OCC(=O)/N=c1/[n-]nc(C(F)(F)F)s1 ZINC000252483348 549667248 /nfs/dbraw/zinc/66/72/48/549667248.db2.gz DZJKMYOZTXMRBT-UHFFFAOYSA-N -1 0 356.329 3.066 50 0 FEAARM CN1C(=O)CCc2cc(C(=O)NC[C@H](C(=O)[O-])c3ccc(F)cc3)ccc21 ZINC000263018246 549871663 /nfs/dbraw/zinc/87/16/63/549871663.db2.gz XWWQHXVVAPNVLO-INIZCTEOSA-N -1 0 370.380 2.333 50 0 FEAARM COCc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)sc2cccc(F)c21 ZINC000263035975 549872923 /nfs/dbraw/zinc/87/29/23/549872923.db2.gz VFGSEJNFWDZOFQ-NSHDSACASA-N -1 0 353.371 2.112 50 0 FEAARM CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000265323292 550008832 /nfs/dbraw/zinc/00/88/32/550008832.db2.gz WFEQRNOBLLVJQH-INIZCTEOSA-N -1 0 353.378 2.047 50 0 FEAARM Cc1ccc(SCCN(C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000426668242 559739861 /nfs/dbraw/zinc/73/98/61/559739861.db2.gz FMGMSADNEQINQH-HNNXBMFYSA-N -1 0 362.455 2.148 50 0 FEAARM CNC(=O)c1ccc(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])o1 ZINC000534662459 562539648 /nfs/dbraw/zinc/53/96/48/562539648.db2.gz JFZZYLXOASKMGQ-INIZCTEOSA-N -1 0 353.378 2.132 50 0 FEAARM Cc1cc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)nc(C)c1C(=O)[O-] ZINC000584902115 570511170 /nfs/dbraw/zinc/51/11/70/570511170.db2.gz NUPDGLPJPBHTKO-HNNXBMFYSA-N -1 0 367.405 2.072 50 0 FEAARM COC(=O)C[C@@H](c1cccnc1)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000205977102 570555208 /nfs/dbraw/zinc/55/52/08/570555208.db2.gz PZARDMINXSZPMK-LBPRGKRZSA-N -1 0 359.769 2.144 50 0 FEAARM COc1ccc(-n2c(=O)c(C(=O)NCC(C)C)c([O-])c3cccnc32)cc1 ZINC000101723324 570822480 /nfs/dbraw/zinc/82/24/80/570822480.db2.gz AUQQUEQBBBXDTM-UHFFFAOYSA-N -1 0 367.405 2.486 50 0 FEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC000046088400 570925494 /nfs/dbraw/zinc/92/54/94/570925494.db2.gz UPRVFPMDKYZDGW-UHFFFAOYSA-N -1 0 351.384 2.202 50 0 FEAARM CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cn1 ZINC000575414283 571148246 /nfs/dbraw/zinc/14/82/46/571148246.db2.gz AMBJZIISHOHMSI-UHFFFAOYSA-N -1 0 373.847 2.146 50 0 FEAARM COc1cccc(F)c1C(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426465090 571226349 /nfs/dbraw/zinc/22/63/49/571226349.db2.gz FAWYQJCOZVVTPC-LBPRGKRZSA-N -1 0 361.373 2.135 50 0 FEAARM CC(C)(C)c1ncc(/C=C/C(=O)[N-]S(=O)(=O)CC2CCOCC2)s1 ZINC000170646093 672323473 /nfs/dbraw/zinc/32/34/73/672323473.db2.gz ZQAMNKFDAUSXPV-SNAWJCMRSA-N -1 0 372.512 2.326 50 0 FEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CC(=O)OC12CCCC2 ZINC000952985761 681795568 /nfs/dbraw/zinc/79/55/68/681795568.db2.gz DLXLBQRYEXRUFJ-JTQLQIEISA-N -1 0 361.423 2.231 50 0 FEAARM O=C([O-])CC[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 ZINC000193454900 222620817 /nfs/dbraw/zinc/62/08/17/222620817.db2.gz YMHOFRAAXROSII-STQMWFEESA-N -1 0 372.343 2.120 50 0 FEAARM CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)[O-] ZINC000002093702 539344748 /nfs/dbraw/zinc/34/47/48/539344748.db2.gz JWMYGLVKXABREZ-BTDLBPIBSA-N -1 0 361.394 2.404 50 0 biogenic FEAARM O=C([O-])CCCC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000002078811 539344875 /nfs/dbraw/zinc/34/48/75/539344875.db2.gz TZIBNPSGYMRVPR-FRVJLOGJSA-N -1 0 370.405 2.416 50 0 FEAARM O=C([O-])c1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000002147370 539345959 /nfs/dbraw/zinc/34/59/59/539345959.db2.gz ONHACSZYTRSPKH-OCCSQVGLSA-N -1 0 353.378 2.198 50 0 biogenic FEAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000003510371 539368719 /nfs/dbraw/zinc/36/87/19/539368719.db2.gz GLCBDGIAMQFQFL-CQSZACIVSA-N -1 0 360.193 2.079 50 0 FEAARM COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000004148027 539377403 /nfs/dbraw/zinc/37/74/03/539377403.db2.gz FGLZLWMUWPJZDW-UHFFFAOYSA-N -1 0 351.380 2.268 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004521504 539387378 /nfs/dbraw/zinc/38/73/78/539387378.db2.gz GOUUPUICWUFXPM-XIKOKIGWSA-N -1 0 353.374 2.455 50 0 FEAARM COc1ccccc1NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000004945371 539396990 /nfs/dbraw/zinc/39/69/90/539396990.db2.gz HTGWRRMARSIPKB-UHFFFAOYSA-N -1 0 363.420 2.430 50 0 FEAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000005314621 539408228 /nfs/dbraw/zinc/40/82/28/539408228.db2.gz SYSXAOOHCPDTFA-UHFFFAOYSA-N -1 0 372.493 2.397 50 0 FEAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)NCCc1ccccc1 ZINC000005626359 539413580 /nfs/dbraw/zinc/41/35/80/539413580.db2.gz OUVGFORKVFLNQE-UHFFFAOYSA-N -1 0 366.446 2.283 50 0 FEAARM COc1ccccc1C[C@@H](C(=O)Nc1ccccc1OC)c1nnn[n-]1 ZINC000005671207 539414906 /nfs/dbraw/zinc/41/49/06/539414906.db2.gz PJMQJEUWBHUCMG-CYBMUJFWSA-N -1 0 353.382 2.182 50 0 FEAARM O=C([O-])Cn1c(=O)c2c3c(sc2n(CCc2ccccc2)c1=O)CCC3 ZINC000006759334 539436300 /nfs/dbraw/zinc/43/63/00/539436300.db2.gz FWKHZENUEPILIH-UHFFFAOYSA-N -1 0 370.430 2.041 50 0 FEAARM COc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000006770658 539437404 /nfs/dbraw/zinc/43/74/04/539437404.db2.gz QFOLIQMLAAHVKS-HZPDHXFCSA-N -1 0 372.331 2.467 50 0 FEAARM C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221916500 222729059 /nfs/dbraw/zinc/72/90/59/222729059.db2.gz PQOOSHHYDOYXKG-KIWPFMIBSA-N -1 0 374.418 2.090 50 0 FEAARM Cc1c(C)c2ccc(OCC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2oc1=O ZINC000008764448 539491953 /nfs/dbraw/zinc/49/19/53/539491953.db2.gz BSLFBXWCUALIAR-ZDUSSCGKSA-N -1 0 359.378 2.112 50 0 FEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NC(C)C)c2=O ZINC000012416140 539559111 /nfs/dbraw/zinc/55/91/11/539559111.db2.gz VCDFYJAEORVVQQ-UHFFFAOYSA-N -1 0 363.439 2.150 50 0 FEAARM O=C([O-])c1cc(NC(=O)CN2C(=O)COc3ccccc32)ccc1Cl ZINC000015018931 539609249 /nfs/dbraw/zinc/60/92/49/539609249.db2.gz KWARCBFDISTXRY-UHFFFAOYSA-N -1 0 360.753 2.402 50 0 FEAARM Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000025501499 539761198 /nfs/dbraw/zinc/76/11/98/539761198.db2.gz VOEKYBDELNBZOH-ZDUSSCGKSA-N -1 0 374.418 2.233 50 0 FEAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000671015 219311496 /nfs/dbraw/zinc/31/14/96/219311496.db2.gz HFYPVJXWZFFJPG-UHFFFAOYSA-N -1 0 374.418 2.422 50 0 FEAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000026421277 539786309 /nfs/dbraw/zinc/78/63/09/539786309.db2.gz SGLGEAIFKVQQQW-ZDUSSCGKSA-N -1 0 371.418 2.465 50 0 FEAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000026421266 539786490 /nfs/dbraw/zinc/78/64/90/539786490.db2.gz KCKXKVJUYWGMOC-SNVBAGLBSA-N -1 0 361.379 2.058 50 0 FEAARM COc1cccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)c1 ZINC000001072210 219364579 /nfs/dbraw/zinc/36/45/79/219364579.db2.gz OBSYRFIMINGDML-ZDUSSCGKSA-N -1 0 354.362 2.385 50 0 FEAARM COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1N1CCCC1=O ZINC000030521930 539883248 /nfs/dbraw/zinc/88/32/48/539883248.db2.gz WITASJJVYKWBGG-KGLIPLIRSA-N -1 0 358.394 2.428 50 0 FEAARM O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCCCC3)c2c1 ZINC000032089100 539929316 /nfs/dbraw/zinc/92/93/16/539929316.db2.gz BTFMMAPTYJAZKA-DKFQHHCZSA-N -1 0 371.393 2.359 50 0 FEAARM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000040122757 540007448 /nfs/dbraw/zinc/00/74/48/540007448.db2.gz MMTMLZYTZGQPQC-UHFFFAOYSA-N -1 0 362.363 2.429 50 0 FEAARM CCOc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC(=O)[O-])cc1 ZINC000002296642 219437289 /nfs/dbraw/zinc/43/72/89/219437289.db2.gz XNSUWBKFOMBADR-SFQUDFHCSA-N -1 0 368.389 2.057 50 0 FEAARM COc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000041096187 540012283 /nfs/dbraw/zinc/01/22/83/540012283.db2.gz ZFMUOJNRHGATIO-UHFFFAOYSA-N -1 0 357.229 2.962 50 0 FEAARM CN1C(=O)C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(Cl)c1 ZINC000237062291 222903988 /nfs/dbraw/zinc/90/39/88/222903988.db2.gz SBOZDFAVDUIKOD-GOEBONIOSA-N -1 0 364.829 2.183 50 0 FEAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CCO1 ZINC000238143283 222914808 /nfs/dbraw/zinc/91/48/08/222914808.db2.gz LUKQXIDDGHXOQD-QGZVFWFLSA-N -1 0 352.346 2.420 50 0 FEAARM O=C([O-])COCC(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1 ZINC000006662158 219744112 /nfs/dbraw/zinc/74/41/12/219744112.db2.gz HRRBMGMWKUDUMS-UHFFFAOYSA-N -1 0 353.378 2.319 50 0 FEAARM C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34CO)[C@H]1CC[C@H]2C(=O)[O-] ZINC000257349595 223074782 /nfs/dbraw/zinc/07/47/82/223074782.db2.gz PDRJFMGTKZFELS-VXQQXVLUSA-N -1 0 352.471 2.178 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000299370436 223078086 /nfs/dbraw/zinc/07/80/86/223078086.db2.gz QNSCNSONVHJSLC-UAGQMJEPSA-N -1 0 354.410 2.184 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299750496 223080522 /nfs/dbraw/zinc/08/05/22/223080522.db2.gz NPCILYPSQVLJEP-UVBJJODRSA-N -1 0 358.373 2.264 50 0 FEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000299751761 223080609 /nfs/dbraw/zinc/08/06/09/223080609.db2.gz RPAXGIXGHWKUET-USXIJHARSA-N -1 0 369.421 2.422 50 0 FEAARM COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c12 ZINC000008764929 219869449 /nfs/dbraw/zinc/86/94/49/219869449.db2.gz HCXYZDNJEHTXHL-CYBMUJFWSA-N -1 0 373.405 2.284 50 0 FEAARM CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)[O-])c21 ZINC000299802378 223106201 /nfs/dbraw/zinc/10/62/01/223106201.db2.gz LHUOMAMJWKDFKD-UHFFFAOYSA-N -1 0 354.366 2.401 50 0 FEAARM Cc1nnc(CNC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])n1C1CC1 ZINC000328592913 223114556 /nfs/dbraw/zinc/11/45/56/223114556.db2.gz VVUKSOYUYMVZLX-UHFFFAOYSA-N -1 0 370.388 2.190 50 0 FEAARM COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000328595103 223116173 /nfs/dbraw/zinc/11/61/73/223116173.db2.gz KWLMFWOAZVUYPW-OAHLLOKOSA-N -1 0 364.785 2.065 50 0 FEAARM COc1cc([N-]S(=O)(=O)c2c(C)noc2C)ccc1N1CCCC1=O ZINC000012508375 220001819 /nfs/dbraw/zinc/00/18/19/220001819.db2.gz RDSFMZYRTXZOJS-UHFFFAOYSA-N -1 0 365.411 2.228 50 0 FEAARM Cc1c[nH]c(C(=O)N2CCC(Oc3ccc(C)nc3C)(C(=O)[O-])CC2)c1 ZINC000072408502 541806681 /nfs/dbraw/zinc/80/66/81/541806681.db2.gz CGHMQHKKBGPWNG-UHFFFAOYSA-N -1 0 357.410 2.473 50 0 FEAARM Cc1ocnc1C(=O)N1CCC(C(=O)[O-])(n2cnc3ccccc32)CC1 ZINC000072424204 541810256 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ZINC000262067315 549785534 /nfs/dbraw/zinc/78/55/34/549785534.db2.gz HYYKXZRDRXQPSD-KRWDZBQOSA-N -1 0 352.390 2.283 50 0 FEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnc(-c2ncccn2)s1 ZINC000268896385 550128643 /nfs/dbraw/zinc/12/86/43/550128643.db2.gz CNGONONHMMBXQN-TUAOUCFPSA-N -1 0 358.423 2.458 50 0 FEAARM Cc1nc2cc(C(=O)N3CCC[C@@H](c4ccnn4CC(=O)[O-])C3)ccc2[nH]1 ZINC000426640531 559739378 /nfs/dbraw/zinc/73/93/78/559739378.db2.gz QYLCKCGYKPDKGQ-CQSZACIVSA-N -1 0 367.409 2.172 50 0 FEAARM Cn1c(C(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cc2ccccc21 ZINC000426740673 559741280 /nfs/dbraw/zinc/74/12/80/559741280.db2.gz YITZDIKCJLYXPA-OAHLLOKOSA-N -1 0 366.421 2.479 50 0 FEAARM COC(=O)C[C@H](c1ccccc1OC)c1c(=O)nc2ccccn2c1[O-] ZINC000205978349 570555070 /nfs/dbraw/zinc/55/50/70/570555070.db2.gz HVUDPQWHDJCYPG-CYBMUJFWSA-N -1 0 354.362 2.104 50 0 FEAARM COC(=O)C[C@H](c1c(=O)nc2ccc(Br)cn2c1[O-])C(C)C ZINC000206053134 570586516 /nfs/dbraw/zinc/58/65/16/570586516.db2.gz KYRLPQIXIRKVJV-JTQLQIEISA-N -1 0 369.215 2.465 50 0 FEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C[C@H]2OCCc3ccccc32)s1 ZINC000170015302 571260405 /nfs/dbraw/zinc/26/04/05/571260405.db2.gz GSNGVRLCKOYTFT-CQSZACIVSA-N -1 0 366.464 2.269 50 0 FEAARM O=C([O-])c1cccc(OCCNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000670440791 571348629 /nfs/dbraw/zinc/34/86/29/571348629.db2.gz JZMGIEFYKRVPSH-HNNXBMFYSA-N -1 0 372.425 2.082 50 0 FEAARM COc1cccc(Oc2ncccc2CNC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263307021 600812043 /nfs/dbraw/zinc/81/20/43/600812043.db2.gz XVORYROXKDUTNW-CQSZACIVSA-N -1 0 371.393 2.499 50 0 FEAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)NCCCC(=O)[O-] ZINC000002123680 539344580 /nfs/dbraw/zinc/34/45/80/539344580.db2.gz DDBWUJFCVDXISI-UHFFFAOYSA-N -1 0 367.785 2.374 50 0 biogenic FEAARM Cc1cc(O[C@H](C)C(=O)NCCC(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1 ZINC000002114932 539344651 /nfs/dbraw/zinc/34/46/51/539344651.db2.gz NHZGUYBRDIZASZ-GFCCVEGCSA-N -1 0 373.405 2.338 50 0 biogenic FEAARM CCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002097971 539344836 /nfs/dbraw/zinc/34/48/36/539344836.db2.gz RROWKSFDBTZTPK-OAHLLOKOSA-N -1 0 359.378 2.030 50 0 biogenic FEAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002560690 539348732 /nfs/dbraw/zinc/34/87/32/539348732.db2.gz JYOQCCFYSJPSLC-CABCVRRESA-N -1 0 362.426 2.198 50 0 FEAARM Cn1cc(S(=O)(=O)[N-]c2nc3ccc(OC(F)F)cc3s2)cn1 ZINC000002803580 539353786 /nfs/dbraw/zinc/35/37/86/539353786.db2.gz MLLYPOCZBXBZCW-UHFFFAOYSA-N -1 0 360.367 2.432 50 0 FEAARM COCCn1c(=O)c2ccc(C(=O)NCc3cccnc3)cc2[n-]c1=S ZINC000003043530 539358690 /nfs/dbraw/zinc/35/86/90/539358690.db2.gz WIALYBQFUGAKSW-UHFFFAOYSA-N -1 0 370.434 2.030 50 0 FEAARM O=C([N-]CCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000003131874 539359904 /nfs/dbraw/zinc/35/99/04/539359904.db2.gz ZZGYPDWKWDPEDB-UHFFFAOYSA-N -1 0 351.828 2.386 50 0 FEAARM COc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1OC ZINC000004546438 539387037 /nfs/dbraw/zinc/38/70/37/539387037.db2.gz YAONAPXKRMSZDC-GFCCVEGCSA-N -1 0 371.372 2.321 50 0 FEAARM COC(=O)c1sc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C ZINC000007727257 539464449 /nfs/dbraw/zinc/46/44/49/539464449.db2.gz IPDKYDWNGFLLND-UHFFFAOYSA-N -1 0 366.420 2.139 50 0 FEAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000222173440 222731474 /nfs/dbraw/zinc/73/14/74/222731474.db2.gz KRNPFKVBLYTWJU-WTKPLQERSA-N -1 0 364.401 2.343 50 0 FEAARM COc1ccc(C(=O)Nc2cc(=O)nc3[n-]c(C(F)(F)F)nn32)cc1 ZINC000009088025 539497628 /nfs/dbraw/zinc/49/76/28/539497628.db2.gz WRTNACCWHUTORK-UHFFFAOYSA-N -1 0 353.260 2.110 50 0 FEAARM CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cc2C[C@@H]1C ZINC000009338410 539501644 /nfs/dbraw/zinc/50/16/44/539501644.db2.gz SDIKEUQXBJLQRM-NSHDSACASA-N -1 0 374.418 2.483 50 0 FEAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000010515404 539517488 /nfs/dbraw/zinc/51/74/88/539517488.db2.gz NQEBEWRSBMFRJT-UHFFFAOYSA-N -1 0 362.407 2.196 50 0 FEAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccco1 ZINC000001139184 219379584 /nfs/dbraw/zinc/37/95/84/219379584.db2.gz CBFIWBZVJPNXQY-UHFFFAOYSA-N -1 0 367.283 2.108 50 0 FEAARM COc1ccc2c(ccn2CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000032123936 539930026 /nfs/dbraw/zinc/93/00/26/539930026.db2.gz ONQQHCJAXBGEMN-KRWDZBQOSA-N -1 0 352.390 2.462 50 0 FEAARM CC12CN3CC(C)(CN(C1)C3c1cn(CCC(=O)[O-])c3ccccc13)C2O ZINC000032124326 539930085 /nfs/dbraw/zinc/93/00/85/539930085.db2.gz AZXNCVUPHOXWKQ-UHFFFAOYSA-N -1 0 369.465 2.133 50 0 FEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000032869180 539957312 /nfs/dbraw/zinc/95/73/12/539957312.db2.gz YMPIFHPPZGMVGL-UHFFFAOYSA-N -1 0 374.418 2.166 50 0 FEAARM O=C(Nc1nccs1)c1ccc(S(=O)(=O)[N-]c2cccnc2)o1 ZINC000035597491 539983396 /nfs/dbraw/zinc/98/33/96/539983396.db2.gz HJZZACYYIRMRSF-UHFFFAOYSA-N -1 0 350.381 2.184 50 0 FEAARM O=CN(CC(=O)[O-])c1c(F)cc(Br)cc1Br ZINC000004542231 219584346 /nfs/dbraw/zinc/58/43/46/219584346.db2.gz AZEUDZMHDDPKPJ-UHFFFAOYSA-N -1 0 354.957 2.398 50 0 FEAARM COc1ccc(NS(=O)(=O)[N-]C(=O)c2cn(C)c3ccccc23)cc1 ZINC000006662678 219744280 /nfs/dbraw/zinc/74/42/80/219744280.db2.gz KVIPTTSNPPTZRL-UHFFFAOYSA-N -1 0 359.407 2.274 50 0 FEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000299746417 223079117 /nfs/dbraw/zinc/07/91/17/223079117.db2.gz XFHPZEMVYZEFBN-GFCCVEGCSA-N -1 0 365.432 2.270 50 0 FEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cncc(Br)c1 ZINC000299743285 223079747 /nfs/dbraw/zinc/07/97/47/223079747.db2.gz MXOHSSXOVSGYLO-AWEZNQCLSA-N -1 0 361.195 2.496 50 0 FEAARM COc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)cc1Cl ZINC000065258623 541230782 /nfs/dbraw/zinc/23/07/82/541230782.db2.gz JMARLRMEORNJBJ-UHFFFAOYSA-N -1 0 369.830 2.084 50 0 FEAARM C[C@H](Cn1cncn1)C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072153447 541790318 /nfs/dbraw/zinc/79/03/18/541790318.db2.gz HFOJXIPOYGBGMP-CQSZACIVSA-N -1 0 356.426 2.094 50 0 FEAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc(-c3cc[nH]n3)s1)C2 ZINC000072171548 541796005 /nfs/dbraw/zinc/79/60/05/541796005.db2.gz BKHUQRSVCOAECW-UHFFFAOYSA-N -1 0 357.439 2.368 50 0 FEAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(C(=O)c2ccco2)CC1 ZINC000072462888 541816999 /nfs/dbraw/zinc/81/69/99/541816999.db2.gz WZOLREVCPMQEMZ-UHFFFAOYSA-N -1 0 355.350 2.452 50 0 FEAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1ccccc1F)CCN(C(=O)C1CC1)CC2 ZINC000072453643 541815811 /nfs/dbraw/zinc/81/58/11/541815811.db2.gz BDBANHWENOXGIM-INIZCTEOSA-N -1 0 374.412 2.144 50 0 FEAARM O=C([O-])c1cccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000013252476 220062241 /nfs/dbraw/zinc/06/22/41/220062241.db2.gz FTNBRTZTDYOUOR-UHFFFAOYSA-N -1 0 357.391 2.049 50 0 FEAARM CS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013453724 220067920 /nfs/dbraw/zinc/06/79/20/220067920.db2.gz SEOGASJCAMIMFB-NSHDSACASA-N -1 0 353.421 2.097 50 0 FEAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)N2CCCCC2)cc1 ZINC000013635548 220080292 /nfs/dbraw/zinc/08/02/92/220080292.db2.gz NNFAWCTURJOEQX-UHFFFAOYSA-N -1 0 359.451 2.351 50 0 FEAARM COc1cc2nc(O)c(C(=O)NCc3ccc(F)cc3)c([O-])c2cc1OC ZINC000015952710 220173983 /nfs/dbraw/zinc/17/39/83/220173983.db2.gz IDDKHNOWTQNTKC-UHFFFAOYSA-N -1 0 372.352 2.320 50 0 FEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000016153564 220180035 /nfs/dbraw/zinc/18/00/35/220180035.db2.gz PQFDDZDSJPPFQE-UHFFFAOYSA-N -1 0 374.422 2.350 50 0 FEAARM Cc1nc2[n-]c(C(=O)N3CCCCC3)nn2c(=O)c1Cc1ccccc1 ZINC000018221995 220230362 /nfs/dbraw/zinc/23/03/62/220230362.db2.gz LLJAJWVDZFCXLV-UHFFFAOYSA-N -1 0 351.410 2.355 50 0 FEAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 ZINC000075093701 542151558 /nfs/dbraw/zinc/15/15/58/542151558.db2.gz DIGFHYRSFGFJGG-MRVPVSSYSA-N -1 0 353.425 2.280 50 0 FEAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000077456113 542384337 /nfs/dbraw/zinc/38/43/37/542384337.db2.gz YCKUIIVCMDHARZ-ZDUSSCGKSA-N -1 0 354.410 2.258 50 0 FEAARM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042267765 220936417 /nfs/dbraw/zinc/93/64/17/220936417.db2.gz GYDYKMTUPUKZKN-UHFFFAOYSA-N -1 0 365.382 2.035 50 0 FEAARM Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000055042375 221057261 /nfs/dbraw/zinc/05/72/61/221057261.db2.gz ZBZLKVXKXXTTER-MRXNPFEDSA-N -1 0 369.421 2.318 50 0 FEAARM NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000055583505 221072742 /nfs/dbraw/zinc/07/27/42/221072742.db2.gz KIBWLKQLOXQMTP-UHFFFAOYSA-N -1 0 358.778 2.144 50 0 FEAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000057117986 221083573 /nfs/dbraw/zinc/08/35/73/221083573.db2.gz UVWDYYGTZWRYBJ-UHFFFAOYSA-N -1 0 354.395 2.159 50 0 FEAARM COc1ccccc1[N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Cl ZINC000064976589 221159138 /nfs/dbraw/zinc/15/91/38/221159138.db2.gz IBVOMGHMABFEMW-UHFFFAOYSA-N -1 0 353.787 2.319 50 0 FEAARM CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(F)ccc2OC)c1 ZINC000065361997 221201831 /nfs/dbraw/zinc/20/18/31/221201831.db2.gz SZVHGZCMOBUABN-UHFFFAOYSA-N -1 0 368.386 2.003 50 0 FEAARM 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