smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000800312994 674041243 /nfs/dbraw/zinc/04/12/43/674041243.db2.gz ZBXYHWCQZFJEQP-UHFFFAOYSA-N -1 1 365.792 2.273 20 10 FECDMM CCN(CC)C(=O)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277564415 550684945 /nfs/dbraw/zinc/68/49/45/550684945.db2.gz PTXYIXPEFPQYAZ-UHFFFAOYSA-N -1 1 357.248 2.420 20 10 FECDMM O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291851191 552668255 /nfs/dbraw/zinc/66/82/55/552668255.db2.gz HUKQNQNMFPOWTH-FUEXJSSKSA-N -1 1 372.343 2.028 20 10 FECDMM COC[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])OCCc2ccccc21 ZINC000296070239 553100079 /nfs/dbraw/zinc/10/00/79/553100079.db2.gz OOYFKOVZSCDEKT-IBGZPJMESA-N -1 1 361.369 2.081 20 10 FECDMM COc1ccc(CN2CC[C@@H]2CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000530272829 562404858 /nfs/dbraw/zinc/40/48/58/562404858.db2.gz DOJJIDDQSIEZQH-CYBMUJFWSA-N -1 1 360.385 2.250 20 10 FECDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000026238786 670068536 /nfs/dbraw/zinc/06/85/36/670068536.db2.gz LJGAAUIOIBFWAL-UHFFFAOYSA-N -1 1 367.383 2.418 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3cnccc32)C(=O)[N-]C1=S ZINC000060860898 670390198 /nfs/dbraw/zinc/39/01/98/670390198.db2.gz AOBQGIUBLWVNIS-ZROIWOOFSA-N -1 1 354.435 2.430 20 10 FECDMM CC(C)(C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000116612789 670907045 /nfs/dbraw/zinc/90/70/45/670907045.db2.gz YYQGIFOSGWPKSU-UHFFFAOYSA-N -1 1 352.416 2.037 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000255913861 672899243 /nfs/dbraw/zinc/89/92/43/672899243.db2.gz FZFNVXDWVVMKFA-MDWZMJQESA-N -1 1 351.859 2.213 20 10 FECDMM O=C(NCCOC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000764806396 680821759 /nfs/dbraw/zinc/82/17/59/680821759.db2.gz PJKLWONNNRRTPN-UHFFFAOYSA-N -1 1 357.126 2.490 20 10 FECDMM O=C(CNC(=O)c1cccs1)NCc1cccc(Br)c1[O-] ZINC000765732761 680852990 /nfs/dbraw/zinc/85/29/90/680852990.db2.gz SFYZATRSPFUHQQ-UHFFFAOYSA-N -1 1 369.240 2.262 20 10 FECDMM Cc1nc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000765737774 680853336 /nfs/dbraw/zinc/85/33/36/680853336.db2.gz ZPDVXXXOBIKPPV-UHFFFAOYSA-N -1 1 366.215 2.126 20 10 FECDMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[O-] ZINC000749259195 680034590 /nfs/dbraw/zinc/03/45/90/680034590.db2.gz UNGNMVKANXUMQP-CYBMUJFWSA-N -1 1 364.833 2.177 20 10 FECDMM Cc1cc(Br)c([O-])c(CNCc2nnn(C(C)(C)C)n2)c1 ZINC000848565488 681579644 /nfs/dbraw/zinc/57/96/44/681579644.db2.gz XIWGIANTLRMVPQ-UHFFFAOYSA-N -1 1 354.252 2.494 20 10 FECDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779545339 681725016 /nfs/dbraw/zinc/72/50/16/681725016.db2.gz SBJUPMNTQXCBNJ-CLTKARDFSA-N -1 1 366.370 2.260 20 10 FECDMM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790070997 682654636 /nfs/dbraw/zinc/65/46/36/682654636.db2.gz OVQIVBPLHIOENN-JTQLQIEISA-N -1 1 354.378 2.366 20 10 FECDMM O=C(NCc1cc(Br)ccc1O)c1nc2ccccc2c(=O)[n-]1 ZINC000796637750 683180627 /nfs/dbraw/zinc/18/06/27/683180627.db2.gz APXLFOGFGZFDQN-UHFFFAOYSA-N -1 1 374.194 2.321 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)ccc1O ZINC000797820446 683276521 /nfs/dbraw/zinc/27/65/21/683276521.db2.gz YDKKPZVAODTMEJ-UHFFFAOYSA-N -1 1 362.407 2.111 20 10 FECDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368793 685203786 /nfs/dbraw/zinc/20/37/86/685203786.db2.gz GWPVAXQHGKCQOB-SOUVJXGZSA-N -1 1 366.845 2.237 20 10 FECDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368793 685203788 /nfs/dbraw/zinc/20/37/88/685203788.db2.gz GWPVAXQHGKCQOB-SOUVJXGZSA-N -1 1 366.845 2.237 20 10 FECDMM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000880336393 687037556 /nfs/dbraw/zinc/03/75/56/687037556.db2.gz TXRJINVDCIXKJW-HNNXBMFYSA-N -1 1 355.818 2.306 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC2(CO1)CCOCC2 ZINC000896213119 689838862 /nfs/dbraw/zinc/83/88/62/689838862.db2.gz CAWJFHSRGSPFBT-ZDUSSCGKSA-N -1 1 354.834 2.431 20 10 FECDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897610646 690048594 /nfs/dbraw/zinc/04/85/94/690048594.db2.gz UJHJETPWFGJXTL-SCZZXKLOSA-N -1 1 353.271 2.055 20 10 FECDMM Cn1cc([C@]2(CNC(=O)NCc3cccc(Cl)c3[O-])CCCO2)cn1 ZINC000898652846 690223608 /nfs/dbraw/zinc/22/36/08/690223608.db2.gz ZJQITHVMOQFTBB-QGZVFWFLSA-N -1 1 364.833 2.284 20 10 FECDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn(CC(F)(F)F)c1 ZINC000908329564 691660477 /nfs/dbraw/zinc/66/04/77/691660477.db2.gz RPQOOGXRKVTBLV-UHFFFAOYSA-N -1 1 369.752 2.283 20 10 FECDMM Cn1ncc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1C(F)(F)F ZINC000908329609 691660497 /nfs/dbraw/zinc/66/04/97/691660497.db2.gz SPHKWHRVCOUULF-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n(C)n1 ZINC000265129821 550006843 /nfs/dbraw/zinc/00/68/43/550006843.db2.gz MQKOCRVCRWXKCH-MRXNPFEDSA-N -1 1 358.442 2.054 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000276494723 550578718 /nfs/dbraw/zinc/57/87/18/550578718.db2.gz BIFUGBYKUGBKTI-LLVKDONJSA-N -1 1 356.357 2.299 20 10 FECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1 ZINC000277309830 550654620 /nfs/dbraw/zinc/65/46/20/550654620.db2.gz CQTSRTFFSJREJN-SECBINFHSA-N -1 1 353.220 2.449 20 10 FECDMM O=C(CCCNC(=O)NCc1cccc(Br)c1[O-])NC1CC1 ZINC000277423726 550668734 /nfs/dbraw/zinc/66/87/34/550668734.db2.gz LIUFEUABNXUNEE-UHFFFAOYSA-N -1 1 370.247 2.013 20 10 FECDMM CC(=O)NCCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277608872 550691296 /nfs/dbraw/zinc/69/12/96/550691296.db2.gz UZTSWVUOQLREHX-UHFFFAOYSA-N -1 1 357.248 2.467 20 10 FECDMM CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000286991849 551949146 /nfs/dbraw/zinc/94/91/46/551949146.db2.gz IBWMTAGWWINFED-ZANVPECISA-N -1 1 357.248 2.322 20 10 FECDMM C[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-] ZINC000828455745 601816557 /nfs/dbraw/zinc/81/65/57/601816557.db2.gz FWIJIJQUDNNNGM-SWLSCSKDSA-N -1 1 355.390 2.481 20 10 FECDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc(F)cc1 ZINC000826256937 608012806 /nfs/dbraw/zinc/01/28/06/608012806.db2.gz HGDPWJWQAVPPSR-UHFFFAOYSA-N -1 1 365.372 2.493 20 10 FECDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc(F)cc1 ZINC000826256937 608012807 /nfs/dbraw/zinc/01/28/07/608012807.db2.gz HGDPWJWQAVPPSR-UHFFFAOYSA-N -1 1 365.372 2.493 20 10 FECDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000041374282 670145234 /nfs/dbraw/zinc/14/52/34/670145234.db2.gz YZGDUKGQSFLAPF-UHFFFAOYSA-N -1 1 362.407 2.053 20 10 FECDMM Cc1sc(NC=C2C(=O)[N-]C(=S)NC2=O)nc1-c1ccc(C)cc1 ZINC000072680432 670496890 /nfs/dbraw/zinc/49/68/90/670496890.db2.gz PPWMVHWMQRKBTL-UHFFFAOYSA-N -1 1 358.448 2.254 20 10 FECDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000194624835 672764847 /nfs/dbraw/zinc/76/48/47/672764847.db2.gz IJACLDRNDHXJLJ-UHFFFAOYSA-N -1 1 371.365 2.418 20 10 FECDMM CC(C)CN1C(=O)C(=CNCCCOC2CCCCC2)C(=O)[N-]C1=S ZINC000730989046 673297266 /nfs/dbraw/zinc/29/72/66/673297266.db2.gz MPQHPCHFVZILDX-RVDMUPIBSA-N -1 1 367.515 2.099 20 10 FECDMM Cc1nc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc2o1 ZINC000732267912 673360867 /nfs/dbraw/zinc/36/08/67/673360867.db2.gz BMZBETAYQAONFP-UHFFFAOYSA-N -1 1 361.379 2.466 20 10 FECDMM COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Cl)c1[O-] ZINC000747148467 673909345 /nfs/dbraw/zinc/90/93/45/673909345.db2.gz YYGHNDDVQFCHDT-XYOKQWHBSA-N -1 1 354.815 2.357 20 10 FECDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2sccc2C1 ZINC000825438422 675653100 /nfs/dbraw/zinc/65/31/00/675653100.db2.gz SWVJCNROZLOQIE-SNVBAGLBSA-N -1 1 350.415 2.475 20 10 FECDMM CCCCCNC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825460997 675654105 /nfs/dbraw/zinc/65/41/05/675654105.db2.gz NKOBQPVMKIKCCJ-UHFFFAOYSA-N -1 1 352.406 2.396 20 10 FECDMM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000826932950 675716611 /nfs/dbraw/zinc/71/66/11/675716611.db2.gz LLKNSRJGCPSIKE-GFCCVEGCSA-N -1 1 350.390 2.148 20 10 FECDMM CCOC(=O)C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(F)(F)F ZINC000827006840 675722905 /nfs/dbraw/zinc/72/29/05/675722905.db2.gz VJKZCISABVZVAI-JTQLQIEISA-N -1 1 366.292 2.283 20 10 FECDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000827523559 675762061 /nfs/dbraw/zinc/76/20/61/675762061.db2.gz ILCWKKWZCSXOAQ-LBPRGKRZSA-N -1 1 366.277 2.245 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)CC[C@H]2C)c1 ZINC000763644839 680788480 /nfs/dbraw/zinc/78/84/80/680788480.db2.gz AJHUBBVICSIRBL-LLVKDONJSA-N -1 1 362.289 2.472 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000764678234 680818392 /nfs/dbraw/zinc/81/83/92/680818392.db2.gz LGRZZTSJOXMGTE-LBPRGKRZSA-N -1 1 362.289 2.472 20 10 FECDMM O=C(CCOC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000765754998 680854172 /nfs/dbraw/zinc/85/41/72/680854172.db2.gz ZKNCXDMXYROQLD-GFCCVEGCSA-N -1 1 358.232 2.357 20 10 FECDMM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000831120232 679927353 /nfs/dbraw/zinc/92/73/53/679927353.db2.gz BKAAAZDFTVZZQV-NEPJUHHUSA-N -1 1 350.390 2.148 20 10 FECDMM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000874043743 685278277 /nfs/dbraw/zinc/27/82/77/685278277.db2.gz YTWONJWFCZNUDM-OAHLLOKOSA-N -1 1 358.232 2.386 20 10 FECDMM COc1cc(CCC(=O)NCc2cccc(Br)c2[O-])on1 ZINC000834475807 680232120 /nfs/dbraw/zinc/23/21/20/680232120.db2.gz DMRLQOVPLNFCIY-UHFFFAOYSA-N -1 1 355.188 2.400 20 10 FECDMM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000841569956 680900175 /nfs/dbraw/zinc/90/01/75/680900175.db2.gz PEYSDSZZARTUQX-NSHDSACASA-N -1 1 356.879 2.347 20 10 FECDMM COc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000768669357 680954676 /nfs/dbraw/zinc/95/46/76/680954676.db2.gz JDHIROOCCMQFNM-UHFFFAOYSA-N -1 1 350.396 2.333 20 10 FECDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000785400514 682294893 /nfs/dbraw/zinc/29/48/93/682294893.db2.gz ZMTRWNMPGBHTNV-UHFFFAOYSA-N -1 1 366.351 2.278 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(OC)c1 ZINC000785488903 682302754 /nfs/dbraw/zinc/30/27/54/682302754.db2.gz VDVMSRWMDYJYME-UHFFFAOYSA-N -1 1 355.343 2.127 20 10 FECDMM CSCC1(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CC1 ZINC000854094379 682512230 /nfs/dbraw/zinc/51/22/30/682512230.db2.gz OCRBIQPMPWRSJI-UHFFFAOYSA-N -1 1 369.468 2.499 20 10 FECDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000790409046 682674326 /nfs/dbraw/zinc/67/43/26/682674326.db2.gz LIZUUVMZYIGJDB-UHFFFAOYSA-N -1 1 355.343 2.429 20 10 FECDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc3nonc32)c1F ZINC000794607692 682983973 /nfs/dbraw/zinc/98/39/73/682983973.db2.gz FBJGHXNKBLAGMU-UHFFFAOYSA-N -1 1 369.305 2.088 20 10 FECDMM COCCN1C(=O)C(=CNc2c(C)cc(C)cc2Cl)C(=O)[N-]C1=S ZINC000920978508 683384858 /nfs/dbraw/zinc/38/48/58/683384858.db2.gz GJPMLEXOHZMAMM-DHZHZOJOSA-N -1 1 367.858 2.142 20 10 FECDMM CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000799536116 683465904 /nfs/dbraw/zinc/46/59/04/683465904.db2.gz MJBAXXQRGMNBDG-UHFFFAOYSA-N -1 1 365.363 2.068 20 10 FECDMM CC(C)C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCNC1=O ZINC000867830900 684403498 /nfs/dbraw/zinc/40/34/98/684403498.db2.gz LAAFAGBWYWFKAX-INIZCTEOSA-N -1 1 369.259 2.323 20 10 FECDMM Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)cn1 ZINC000893218617 689315341 /nfs/dbraw/zinc/31/53/41/689315341.db2.gz CJTHJUTXLGPUGM-CYBMUJFWSA-N -1 1 363.849 2.247 20 10 FECDMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(OC)n1 ZINC000894981063 689633670 /nfs/dbraw/zinc/63/36/70/689633670.db2.gz VUTDNOMSXLKBFZ-UHFFFAOYSA-N -1 1 351.790 2.457 20 10 FECDMM COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000123843906 543786108 /nfs/dbraw/zinc/78/61/08/543786108.db2.gz AYLKIQXIGOZUQR-LBPRGKRZSA-N -1 1 357.248 2.264 20 10 FECDMM Cn1ncc2c1ncnc2N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124375832 543817124 /nfs/dbraw/zinc/81/71/24/543817124.db2.gz GRCATDUVGBDGIV-UHFFFAOYSA-N -1 1 358.833 2.045 20 10 FECDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1 ZINC000179207628 546913842 /nfs/dbraw/zinc/91/38/42/546913842.db2.gz AWFSQNMPWDMCAX-UHFFFAOYSA-N -1 1 364.423 2.145 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000189428291 548302496 /nfs/dbraw/zinc/30/24/96/548302496.db2.gz MPQMKSMEGMMSFN-UHFFFAOYSA-N -1 1 363.439 2.320 20 10 FECDMM C[C@H](Cn1ccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277327666 550656817 /nfs/dbraw/zinc/65/68/17/550656817.db2.gz DXRHRVUZCYWOBL-SNVBAGLBSA-N -1 1 353.220 2.239 20 10 FECDMM CS(=O)(=O)NCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000289320644 552300868 /nfs/dbraw/zinc/30/08/68/552300868.db2.gz FPPAMCFDLGJVSA-UHFFFAOYSA-N -1 1 367.298 2.460 20 10 FECDMM CN1CCN(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C(=O)C1 ZINC000365020902 555466489 /nfs/dbraw/zinc/46/64/89/555466489.db2.gz QGHIAUUNJQWGPB-UHFFFAOYSA-N -1 1 372.296 2.437 20 10 FECDMM CCOCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000737177579 600214438 /nfs/dbraw/zinc/21/44/38/600214438.db2.gz QYXACGFCOQUOTL-DYLGSBMWSA-N -1 1 363.414 2.240 20 10 FECDMM COc1c([O-])c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000809696706 674505828 /nfs/dbraw/zinc/50/58/28/674505828.db2.gz OZPCSCZPOKCHSM-KCJUWKMLSA-N -1 1 350.293 2.461 20 10 FECDMM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827281553 604745919 /nfs/dbraw/zinc/74/59/19/604745919.db2.gz PBOFIEPOEWNQFA-RISCZKNCSA-N -1 1 354.834 2.237 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1 ZINC000811517953 674610725 /nfs/dbraw/zinc/61/07/25/674610725.db2.gz FADYTSHEKOOMBS-QWRGUYRKSA-N -1 1 362.289 2.471 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3cccnc32)C(=O)[N-]C1=S ZINC000060865380 670390098 /nfs/dbraw/zinc/39/00/98/670390098.db2.gz WDHRTCLQSKRISV-LCYFTJDESA-N -1 1 354.435 2.430 20 10 FECDMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc4nonc43)c(F)cc2N1 ZINC000156927480 672252509 /nfs/dbraw/zinc/25/25/09/672252509.db2.gz QRCDNOJALDMQMQ-UHFFFAOYSA-N -1 1 362.342 2.047 20 10 FECDMM CC1(C)C[C@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000859133654 683043968 /nfs/dbraw/zinc/04/39/68/683043968.db2.gz DKKFJALVCIKCOY-JTQLQIEISA-N -1 1 364.261 2.142 20 10 FECDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1C(N)=O ZINC000732526781 673371047 /nfs/dbraw/zinc/37/10/47/673371047.db2.gz YLYUAWPXEHCODG-UHFFFAOYSA-N -1 1 359.451 2.495 20 10 FECDMM COC(=O)c1cn([C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000761226269 680715577 /nfs/dbraw/zinc/71/55/77/680715577.db2.gz NPKKMHWQQWDMEW-NSHDSACASA-N -1 1 354.769 2.010 20 10 FECDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765927440 680859489 /nfs/dbraw/zinc/85/94/89/680859489.db2.gz RSURDAJPQQNFRI-UHFFFAOYSA-N -1 1 364.199 2.113 20 10 FECDMM C[C@H]1C[C@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000831286446 679960761 /nfs/dbraw/zinc/96/07/61/679960761.db2.gz BBAUNERCVDEMCI-GXSJLCMTSA-N -1 1 364.261 2.142 20 10 FECDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2=CC(=O)CS2)n1 ZINC000846642446 681271051 /nfs/dbraw/zinc/27/10/51/681271051.db2.gz JYHOCUHBOJILOM-SNVBAGLBSA-N -1 1 352.416 2.266 20 10 FECDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N(C)C(=O)OC(C)(C)C ZINC000848823625 681628600 /nfs/dbraw/zinc/62/86/00/681628600.db2.gz OVDVYFRCVCDKOQ-JTQLQIEISA-N -1 1 353.371 2.079 20 10 FECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nccn1C ZINC000852689140 682321033 /nfs/dbraw/zinc/32/10/33/682321033.db2.gz TUOVDEWEABNKSK-VIFPVBQESA-N -1 1 353.220 2.449 20 10 FECDMM CCOCCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000927533917 683259776 /nfs/dbraw/zinc/25/97/76/683259776.db2.gz SBFCAKRZPPILOA-UHFFFAOYSA-N -1 1 361.236 2.007 20 10 FECDMM COCCN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)[N-]C1=S ZINC000920974205 683383533 /nfs/dbraw/zinc/38/35/33/683383533.db2.gz CVHHCARRALLZLO-PTNGSMBKSA-N -1 1 355.419 2.025 20 10 FECDMM Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920976757 683384437 /nfs/dbraw/zinc/38/44/37/683384437.db2.gz UEATUUJDMMMOKS-KPKJPENVSA-N -1 1 362.411 2.098 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1[O-] ZINC000879930849 686949859 /nfs/dbraw/zinc/94/98/59/686949859.db2.gz IDSNKASTNCPLAP-YPMHNXCESA-N -1 1 357.859 2.115 20 10 FECDMM Cn1nc2c(c1C(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000907758961 691554848 /nfs/dbraw/zinc/55/48/48/691554848.db2.gz VPAVQARLZUGFRM-UHFFFAOYSA-N -1 1 350.216 2.307 20 10 FECDMM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329124 691660604 /nfs/dbraw/zinc/66/06/04/691660604.db2.gz POQDNYGPSBPLRZ-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM COC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCC1 ZINC000273947850 550516598 /nfs/dbraw/zinc/51/65/98/550516598.db2.gz NPLDPVMTYGZTDS-UHFFFAOYSA-N -1 1 353.400 2.229 20 10 FECDMM CC(C)(C)OC(=O)N1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276509676 550578813 /nfs/dbraw/zinc/57/88/13/550578813.db2.gz AXLQGVWWKSDRJJ-UHFFFAOYSA-N -1 1 354.378 2.320 20 10 FECDMM CCc1nsc(N2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1 ZINC000276600898 550579517 /nfs/dbraw/zinc/57/95/17/550579517.db2.gz OHJOLTKCLUFSFB-UHFFFAOYSA-N -1 1 366.418 2.003 20 10 FECDMM C[C@@H](Cn1ccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277327663 550657040 /nfs/dbraw/zinc/65/70/40/550657040.db2.gz DXRHRVUZCYWOBL-JTQLQIEISA-N -1 1 353.220 2.239 20 10 FECDMM COc1c([O-])c(CN2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571829 550800041 /nfs/dbraw/zinc/80/00/41/550800041.db2.gz CVWGVPQEVBLNDT-SNVBAGLBSA-N -1 1 363.336 2.377 20 10 FECDMM Cc1nnsc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000293403398 552819958 /nfs/dbraw/zinc/81/99/58/552819958.db2.gz MRGKBMXAWNOBHI-UHFFFAOYSA-N -1 1 357.233 2.314 20 10 FECDMM CC(C)(C)n1cnc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000293414286 552821188 /nfs/dbraw/zinc/82/11/88/552821188.db2.gz STBUALOXZBNQAD-UHFFFAOYSA-N -1 1 353.220 2.431 20 10 FECDMM Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC000363395372 555094740 /nfs/dbraw/zinc/09/47/40/555094740.db2.gz JMSPFLPOGGZVIS-KRWDZBQOSA-N -1 1 366.425 2.129 20 10 FECDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(F)cc1F ZINC000740090134 600229877 /nfs/dbraw/zinc/22/98/77/600229877.db2.gz TUVIHAVNBQCXPW-UHFFFAOYSA-N -1 1 357.290 2.193 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c1 ZINC000811517952 674610805 /nfs/dbraw/zinc/61/08/05/674610805.db2.gz FADYTSHEKOOMBS-PHIMTYICSA-N -1 1 362.289 2.471 20 10 FECDMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000027598070 670080578 /nfs/dbraw/zinc/08/05/78/670080578.db2.gz YKXQGOIRAIQGMT-UHFFFAOYSA-N -1 1 368.827 2.244 20 10 FECDMM O=C1OCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000827740569 675775727 /nfs/dbraw/zinc/77/57/27/675775727.db2.gz BRHHYRKPNHNRJR-UHFFFAOYSA-N -1 1 355.778 2.370 20 10 FECDMM CC(=O)N1CC[C@@](C)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748568 680853868 /nfs/dbraw/zinc/85/38/68/680853868.db2.gz WSWAOFWUTLFSGB-OAHLLOKOSA-N -1 1 355.232 2.029 20 10 FECDMM Cn1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c(C(F)(F)F)n1 ZINC000845997068 681171574 /nfs/dbraw/zinc/17/15/74/681171574.db2.gz XPIRDJUYUMVQOT-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000787683064 682472655 /nfs/dbraw/zinc/47/26/55/682472655.db2.gz BLRHCGXNBFKWSS-UHFFFAOYSA-N -1 1 364.358 2.031 20 10 FECDMM C[C@H](NCc1nnc2n1CCOC2)c1cc(Br)cc(F)c1[O-] ZINC000790738556 682698336 /nfs/dbraw/zinc/69/83/36/682698336.db2.gz HIWHVRDVOZAEML-QMMMGPOBSA-N -1 1 371.210 2.266 20 10 FECDMM O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000857273537 682871852 /nfs/dbraw/zinc/87/18/52/682871852.db2.gz XPLAYXXRMUHVPF-SECBINFHSA-N -1 1 350.312 2.241 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3coc(C4CC4)n3)no2)c1 ZINC000858829851 683005192 /nfs/dbraw/zinc/00/51/92/683005192.db2.gz NRIOKBPZZWSBIN-UHFFFAOYSA-N -1 1 362.367 2.346 20 10 FECDMM O=C(CCNC(=O)OCC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890757905 688962563 /nfs/dbraw/zinc/96/25/63/688962563.db2.gz MYOMFTREVTVRPC-UHFFFAOYSA-N -1 1 354.712 2.340 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])c1cccn1CCN1CCOCC1 ZINC000890761443 688963161 /nfs/dbraw/zinc/96/31/61/688963161.db2.gz SGHUGTKZFVGRLR-UHFFFAOYSA-N -1 1 363.845 2.109 20 10 FECDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000053697335 540550256 /nfs/dbraw/zinc/55/02/56/540550256.db2.gz WZVZMSHPENRNFN-UHFFFAOYSA-N -1 1 368.405 2.280 20 10 FECDMM CCCc1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000272034311 550417888 /nfs/dbraw/zinc/41/78/88/550417888.db2.gz PVPYTOGYUAWRRK-UHFFFAOYSA-N -1 1 355.441 2.425 20 10 FECDMM Cc1cc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)nc(C)n1 ZINC000276598897 550579428 /nfs/dbraw/zinc/57/94/28/550579428.db2.gz OBDJXNGDUMEUFT-UHFFFAOYSA-N -1 1 360.389 2.043 20 10 FECDMM CC(C)(C)OC(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276588727 550579470 /nfs/dbraw/zinc/57/94/70/550579470.db2.gz MVDUTOFHUMPLGD-UHFFFAOYSA-N -1 1 354.378 2.366 20 10 FECDMM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1cccc(F)c1[O-])CCO2 ZINC000293773005 552855038 /nfs/dbraw/zinc/85/50/38/552855038.db2.gz BILVFWKPGXTMQV-UHFFFAOYSA-N -1 1 352.406 2.353 20 10 FECDMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])c2ccsc2S1(=O)=O ZINC000295994522 553086490 /nfs/dbraw/zinc/08/64/90/553086490.db2.gz KGMWUZVFMPWVBK-XVKPBYJWSA-N -1 1 371.411 2.335 20 10 FECDMM CN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000737384362 600914300 /nfs/dbraw/zinc/91/43/00/600914300.db2.gz FHLJLTOVNOTECN-UHFFFAOYSA-N -1 1 373.497 2.432 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(CCC(=O)[O-])C[C@H]2C)c1O ZINC000833401651 605192865 /nfs/dbraw/zinc/19/28/65/605192865.db2.gz ZSQKCHSPQSJXSN-LLVKDONJSA-N -1 1 354.834 2.229 20 10 FECDMM CC[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827518031 605294799 /nfs/dbraw/zinc/29/47/99/605294799.db2.gz GPWPEGZFEWRLCP-KBPBESRZSA-N -1 1 369.849 2.172 20 10 FECDMM COc1ccc(O)c(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000734016137 673449061 /nfs/dbraw/zinc/44/90/61/673449061.db2.gz BHCXIFKIBZYQHN-UHFFFAOYSA-N -1 1 363.439 2.176 20 10 FECDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000741755339 673696660 /nfs/dbraw/zinc/69/66/60/673696660.db2.gz CYZWPXFFBGPTKS-UHFFFAOYSA-N -1 1 362.411 2.069 20 10 FECDMM CCc1ccc(O)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000746413100 673876987 /nfs/dbraw/zinc/87/69/87/673876987.db2.gz WWJTURAUBKUQER-UHFFFAOYSA-N -1 1 350.396 2.284 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)CC[C@@H]2C)c1 ZINC000763644841 680788451 /nfs/dbraw/zinc/78/84/51/680788451.db2.gz AJHUBBVICSIRBL-NSHDSACASA-N -1 1 362.289 2.472 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)C[C@H](C)C2)c1 ZINC000763674821 680789545 /nfs/dbraw/zinc/78/95/45/680789545.db2.gz ZHFQCBRMQFXKKT-LLVKDONJSA-N -1 1 362.289 2.330 20 10 FECDMM Cc1cc(CNC(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000764800431 680821476 /nfs/dbraw/zinc/82/14/76/680821476.db2.gz OSOZMAYVUWUKOT-UHFFFAOYSA-N -1 1 351.204 2.253 20 10 FECDMM C[C@@]1(CCC(=O)NCc2cccc(Br)c2[O-])CCC(=O)N1 ZINC000765942488 680860474 /nfs/dbraw/zinc/86/04/74/680860474.db2.gz CORAOTLUKSUEPO-OAHLLOKOSA-N -1 1 355.232 2.220 20 10 FECDMM C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000836632949 680492506 /nfs/dbraw/zinc/49/25/06/680492506.db2.gz SIKZHJQZPZESTF-JTQLQIEISA-N -1 1 367.247 2.319 20 10 FECDMM CCOCc1nc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000837951610 680663547 /nfs/dbraw/zinc/66/35/47/680663547.db2.gz DYKQEZAKDSPBFT-UHFFFAOYSA-N -1 1 351.380 2.439 20 10 FECDMM CCC(CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCOCC1 ZINC000790070607 682654415 /nfs/dbraw/zinc/65/44/15/682654415.db2.gz VYEJPFJODXOAQW-AWEZNQCLSA-N -1 1 354.422 2.104 20 10 FECDMM COc1c([O-])c(CN(CCO)Cc2cccnc2Cl)ccc1[N+](=O)[O-] ZINC000793366411 682885222 /nfs/dbraw/zinc/88/52/22/682885222.db2.gz QZBBZXKLWJPNOA-UHFFFAOYSA-N -1 1 367.789 2.352 20 10 FECDMM COC(=O)C1=CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858732943 682996622 /nfs/dbraw/zinc/99/66/22/682996622.db2.gz GDHNNDPJAVFFPB-LLVKDONJSA-N -1 1 369.215 2.216 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(F)cc1Cl ZINC000795852279 683098087 /nfs/dbraw/zinc/09/80/87/683098087.db2.gz ZBRWYWSLXWOIMX-UHFFFAOYSA-N -1 1 373.789 2.450 20 10 FECDMM COCCN1C(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[N-]C1=S ZINC000920974287 683383503 /nfs/dbraw/zinc/38/35/03/683383503.db2.gz HFKCQQRNQHERIS-VQHVLOKHSA-N -1 1 374.249 2.179 20 10 FECDMM CC(C)(C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369053 685204354 /nfs/dbraw/zinc/20/43/54/685204354.db2.gz LUPSLMXYDJUPJH-ZDUSSCGKSA-N -1 1 354.834 2.237 20 10 FECDMM COc1c([O-])c(CN2CCO[C@@](C)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877716280 686444392 /nfs/dbraw/zinc/44/43/92/686444392.db2.gz WTWSPXWNAOEEFC-CYBMUJFWSA-N -1 1 350.293 2.462 20 10 FECDMM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757945 688962681 /nfs/dbraw/zinc/96/26/81/688962681.db2.gz NUJIEGWARQNXBC-QMMMGPOBSA-N -1 1 353.835 2.164 20 10 FECDMM COCCn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(=O)cc1C ZINC000890759925 688963150 /nfs/dbraw/zinc/96/31/50/688963150.db2.gz VTOZFOFPTRZXDT-UHFFFAOYSA-N -1 1 350.802 2.092 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(C(=O)C2CC2)CC1 ZINC000891760718 689103965 /nfs/dbraw/zinc/10/39/65/689103965.db2.gz VYDTZKPGMXPGKV-UHFFFAOYSA-N -1 1 351.834 2.246 20 10 FECDMM COC(=O)[C@]1(OC)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895392876 689709060 /nfs/dbraw/zinc/70/90/60/689709060.db2.gz UKLQTFCOHZKBQS-AWEZNQCLSA-N -1 1 362.195 2.058 20 10 FECDMM O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000895658831 689751224 /nfs/dbraw/zinc/75/12/24/689751224.db2.gz KKOVWSSLIYVKAP-QFIPXVFZSA-N -1 1 358.769 2.156 20 10 FECDMM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1cccc(Cl)c1[O-] ZINC000900839962 690572318 /nfs/dbraw/zinc/57/23/18/690572318.db2.gz XWEOFEVPOZKFLJ-JSGCOSHPSA-N -1 1 355.818 2.363 20 10 FECDMM CC1(C)COc2c(S(=O)(=O)[N-]c3ccc(O)cc3Cl)cnn2C1 ZINC000901938430 690717333 /nfs/dbraw/zinc/71/73/33/690717333.db2.gz VACSVFDKVBMPAR-UHFFFAOYSA-N -1 1 357.819 2.462 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000055160158 540631998 /nfs/dbraw/zinc/63/19/98/540631998.db2.gz UMVLDBPHHNZJCR-UHFFFAOYSA-N -1 1 367.452 2.351 20 10 FECDMM O=S(=O)(CCCF)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161827373 546133908 /nfs/dbraw/zinc/13/39/08/546133908.db2.gz XZUVWIPEPRHRBW-CQSZACIVSA-N -1 1 364.870 2.289 20 10 FECDMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000270046158 550245252 /nfs/dbraw/zinc/24/52/52/550245252.db2.gz LXCBVKCZMPYSTM-UHFFFAOYSA-N -1 1 355.394 2.456 20 10 FECDMM CC(C)OCCCc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273796840 550511666 /nfs/dbraw/zinc/51/16/66/550511666.db2.gz GDJUCNRKRQBANQ-UHFFFAOYSA-N -1 1 355.416 2.171 20 10 FECDMM CO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000296965164 553236373 /nfs/dbraw/zinc/23/63/73/553236373.db2.gz YKRKVWGXDKLSRJ-GWCFXTLKSA-N -1 1 358.232 2.213 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1noc2c1COCC2 ZINC000527610987 562297712 /nfs/dbraw/zinc/29/77/12/562297712.db2.gz HKDSQPHNKQQIAI-UHFFFAOYSA-N -1 1 353.172 2.145 20 10 FECDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821961533 599309077 /nfs/dbraw/zinc/30/90/77/599309077.db2.gz KBPDCLZQKQQZMV-YFHOEESVSA-N -1 1 367.481 2.414 20 10 FECDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821961533 599309080 /nfs/dbraw/zinc/30/90/80/599309080.db2.gz KBPDCLZQKQQZMV-YFHOEESVSA-N -1 1 367.481 2.414 20 10 FECDMM CCC[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nn[n-]n1 ZINC000817956996 675188061 /nfs/dbraw/zinc/18/80/61/675188061.db2.gz HBGPXSCYTITBPV-LBPRGKRZSA-N -1 1 357.443 2.100 20 10 FECDMM CS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123479616 671980517 /nfs/dbraw/zinc/98/05/17/671980517.db2.gz CQHDRRHHZNIHLT-UHFFFAOYSA-N -1 1 353.271 2.213 20 10 FECDMM C[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1cc(F)c(Cl)cc1Cl ZINC000194963188 672772810 /nfs/dbraw/zinc/77/28/10/672772810.db2.gz QAVWMWJGBKNDQA-RXMQYKEDSA-N -1 1 362.213 2.198 20 10 FECDMM CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828935412 675853435 /nfs/dbraw/zinc/85/34/35/675853435.db2.gz AQRUHBPXOSXFTG-MNOVXSKESA-N -1 1 354.378 2.224 20 10 FECDMM NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(Br)c1[O-] ZINC000764935481 680825058 /nfs/dbraw/zinc/82/50/58/680825058.db2.gz VBFQYJNDMRFEIK-UHFFFAOYSA-N -1 1 367.159 2.169 20 10 FECDMM COC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765747485 680853828 /nfs/dbraw/zinc/85/38/28/680853828.db2.gz OOSDTSHCHREJOS-UHFFFAOYSA-N -1 1 365.183 2.266 20 10 FECDMM CC(C)CC(=O)NCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765752001 680854089 /nfs/dbraw/zinc/85/40/89/680854089.db2.gz CXVRDTDJEWJAGJ-UHFFFAOYSA-N -1 1 357.248 2.323 20 10 FECDMM COc1cccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000758290625 680568287 /nfs/dbraw/zinc/56/82/87/680568287.db2.gz QDLHJEMRFKSRRC-UHFFFAOYSA-N -1 1 361.379 2.489 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]1)CCOC2 ZINC000837582002 680622382 /nfs/dbraw/zinc/62/23/82/680622382.db2.gz MQUISJJCHDLERL-UHFFFAOYSA-N -1 1 351.200 2.486 20 10 FECDMM CC(C)(C)OC(=O)COCC(=O)NCc1cccc(Br)c1[O-] ZINC000843867924 681023163 /nfs/dbraw/zinc/02/31/63/681023163.db2.gz VBOBHADGHDCHPW-UHFFFAOYSA-N -1 1 374.231 2.129 20 10 FECDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)sc1C ZINC000771934647 681074769 /nfs/dbraw/zinc/07/47/69/681074769.db2.gz BXOODYJSILSQCG-UHFFFAOYSA-N -1 1 367.496 2.075 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c3cc(F)ccc32)c1 ZINC000789885973 682636474 /nfs/dbraw/zinc/63/64/74/682636474.db2.gz DYOQHYURACPHHX-UHFFFAOYSA-N -1 1 364.358 2.031 20 10 FECDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000790411898 682674707 /nfs/dbraw/zinc/67/47/07/682674707.db2.gz UJTFYGBFNGFOHR-UHFFFAOYSA-N -1 1 351.380 2.219 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000790415244 682675158 /nfs/dbraw/zinc/67/51/58/682675158.db2.gz CAQLITHLTBJLAP-UHFFFAOYSA-N -1 1 355.437 2.159 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1OC ZINC000799122716 683424161 /nfs/dbraw/zinc/42/41/61/683424161.db2.gz GJQOVCJLCPBVLV-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000799818787 683498780 /nfs/dbraw/zinc/49/87/80/683498780.db2.gz ZHDLQRPTVTYFBE-UHFFFAOYSA-N -1 1 373.228 2.037 20 10 FECDMM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369502 685204475 /nfs/dbraw/zinc/20/44/75/685204475.db2.gz TVXYTVYGIVZYTQ-KBPBESRZSA-N -1 1 354.834 2.237 20 10 FECDMM Cc1ccc(O)c(C[N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000882441194 687367551 /nfs/dbraw/zinc/36/75/51/687367551.db2.gz ODMXPUJUKCKLLA-JOCHJYFZSA-N -1 1 360.501 2.466 20 10 FECDMM Cn1ccnc1CN1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757721 688962526 /nfs/dbraw/zinc/96/25/26/688962526.db2.gz JFHOHSHALKEVGB-UHFFFAOYSA-N -1 1 362.861 2.308 20 10 FECDMM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757944 688962630 /nfs/dbraw/zinc/96/26/30/688962630.db2.gz NUJIEGWARQNXBC-MRVPVSSYSA-N -1 1 353.835 2.164 20 10 FECDMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000894893203 689615068 /nfs/dbraw/zinc/61/50/68/689615068.db2.gz FLWGTXAZKIFGKI-SQWLQELKSA-N -1 1 365.861 2.492 20 10 FECDMM C[C@]1(CO)CN(Cc2cc(Br)cc(F)c2[O-])C[C@@]1(C)CO ZINC000895402007 689709872 /nfs/dbraw/zinc/70/98/72/689709872.db2.gz HUAPWVCNCRJPSY-GASCZTMLSA-N -1 1 362.239 2.107 20 10 FECDMM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000897746647 690074188 /nfs/dbraw/zinc/07/41/88/690074188.db2.gz QWGVNFAHQSJQHU-BYNQJWBRSA-N -1 1 352.818 2.433 20 10 FECDMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(O)cc2OC)cc1 ZINC000901703491 690681431 /nfs/dbraw/zinc/68/14/31/690681431.db2.gz GIJFKWNPLGJQBP-UHFFFAOYSA-N -1 1 353.396 2.230 20 10 FECDMM CO[C@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C1CCOCC1 ZINC000901963388 690722076 /nfs/dbraw/zinc/72/20/76/690722076.db2.gz RQIDVKNSRJLQFA-CQSZACIVSA-N -1 1 367.826 2.368 20 10 FECDMM COC(=O)C1CCC(S(=O)(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000908329586 691660635 /nfs/dbraw/zinc/66/06/35/691660635.db2.gz RXWPUAGCSPGPTR-UHFFFAOYSA-N -1 1 361.847 2.197 20 10 FECDMM COc1nccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000801724810 674146311 /nfs/dbraw/zinc/14/63/11/674146311.db2.gz VXQXNGXFIZIZOO-UHFFFAOYSA-N -1 1 353.176 2.275 20 10 FECDMM COc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000801746740 674147098 /nfs/dbraw/zinc/14/70/98/674147098.db2.gz BVNNBFTVNNBWRY-UHFFFAOYSA-N -1 1 359.205 2.337 20 10 FECDMM COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2C)cc1 ZINC000183433839 547658342 /nfs/dbraw/zinc/65/83/42/547658342.db2.gz ABPGNOUDLSNDDD-GFCCVEGCSA-N -1 1 368.441 2.492 20 10 FECDMM COc1cccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1O ZINC000264307795 549993698 /nfs/dbraw/zinc/99/36/98/549993698.db2.gz ZZIUBYTZMIMMRO-UHFFFAOYSA-N -1 1 363.439 2.176 20 10 FECDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C)cs1 ZINC000271333767 550365747 /nfs/dbraw/zinc/36/57/47/550365747.db2.gz DZEHPVDBHUNXPF-UHFFFAOYSA-N -1 1 355.441 2.195 20 10 FECDMM CC(C)(C)CC(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277479850 550675852 /nfs/dbraw/zinc/67/58/52/550675852.db2.gz INRVCRZXYLXWGU-UHFFFAOYSA-N -1 1 357.248 2.323 20 10 FECDMM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277658052 550697545 /nfs/dbraw/zinc/69/75/45/550697545.db2.gz YYYAUXSYYRMRJW-JQWIXIFHSA-N -1 1 373.247 2.148 20 10 FECDMM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295025932 552952308 /nfs/dbraw/zinc/95/23/08/552952308.db2.gz HUQOZSNVMMZXNZ-SNVBAGLBSA-N -1 1 354.378 2.224 20 10 FECDMM COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000296150803 553112988 /nfs/dbraw/zinc/11/29/88/553112988.db2.gz GTRZPXGWPUZQBP-KRWDZBQOSA-N -1 1 355.818 2.260 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1[O-] ZINC000364431673 555312786 /nfs/dbraw/zinc/31/27/86/555312786.db2.gz AQDKVXLLAPEQTE-GFCCVEGCSA-N -1 1 364.789 2.067 20 10 FECDMM O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368619620 556365265 /nfs/dbraw/zinc/36/52/65/556365265.db2.gz QPYNJMGCDNCRRS-OLZOCXBDSA-N -1 1 374.268 2.361 20 10 FECDMM O=C(NCc1cccc(Br)c1O)C(=O)c1ccc([O-])cc1 ZINC000807417005 674415086 /nfs/dbraw/zinc/41/50/86/674415086.db2.gz RAQBUBWCMDRFTG-UHFFFAOYSA-N -1 1 350.168 2.359 20 10 FECDMM CNC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737544230 600144408 /nfs/dbraw/zinc/14/44/08/600144408.db2.gz ATJUCQDNOGUUCJ-UHFFFAOYSA-N -1 1 362.813 2.492 20 10 FECDMM CNC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737544230 600144411 /nfs/dbraw/zinc/14/44/11/600144411.db2.gz ATJUCQDNOGUUCJ-UHFFFAOYSA-N -1 1 362.813 2.492 20 10 FECDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000740097724 600427163 /nfs/dbraw/zinc/42/71/63/600427163.db2.gz QJKPUGOLLXOOSD-OAHLLOKOSA-N -1 1 367.405 2.341 20 10 FECDMM Cn1cc(CC(=O)NCc2cccc(Br)c2[O-])c(Cl)n1 ZINC000816496766 675059945 /nfs/dbraw/zinc/05/99/45/675059945.db2.gz WIOMVFXHWXIAIL-UHFFFAOYSA-N -1 1 358.623 2.401 20 10 FECDMM O=C1N=C(N2CCOCC2)S/C1=C\c1ccc([O-])c(Br)c1 ZINC000033332527 670135415 /nfs/dbraw/zinc/13/54/15/670135415.db2.gz RNKDVYCYRGDGJM-WQLSENKSSA-N -1 1 369.240 2.457 20 10 FECDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000123889838 671987318 /nfs/dbraw/zinc/98/73/18/671987318.db2.gz YCPUXRWUNXBNHJ-UHFFFAOYSA-N -1 1 351.428 2.062 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)o1 ZINC000177331889 672381923 /nfs/dbraw/zinc/38/19/23/672381923.db2.gz YDROXDTWHNDLPU-UHFFFAOYSA-N -1 1 352.412 2.001 20 10 FECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000821191261 675420834 /nfs/dbraw/zinc/42/08/34/675420834.db2.gz LPHCIYUUPBJOIJ-UHFFFAOYSA-N -1 1 361.419 2.336 20 10 FECDMM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000826932951 675716673 /nfs/dbraw/zinc/71/66/73/675716673.db2.gz LLKNSRJGCPSIKE-LBPRGKRZSA-N -1 1 350.390 2.148 20 10 FECDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cccc2nonc21 ZINC000765039567 680828449 /nfs/dbraw/zinc/82/84/49/680828449.db2.gz QEVXYFRPLLWRKM-UHFFFAOYSA-N -1 1 353.743 2.406 20 10 FECDMM Cc1nnc2ccc(C(=O)NCc3cccc(Br)c3[O-])cn12 ZINC000765728420 680852843 /nfs/dbraw/zinc/85/28/43/680852843.db2.gz RLQYZGCYVGNOLT-UHFFFAOYSA-N -1 1 361.199 2.436 20 10 FECDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000765757695 680854230 /nfs/dbraw/zinc/85/42/30/680854230.db2.gz TUVNNLOQOSHVDU-UHFFFAOYSA-N -1 1 365.183 2.266 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1-n1cnnn1 ZINC000765754887 680854262 /nfs/dbraw/zinc/85/42/62/680854262.db2.gz XVNLEKMHCOIONV-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM C[C@@H]1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000831286454 679960863 /nfs/dbraw/zinc/96/08/63/679960863.db2.gz BBAUNERCVDEMCI-KOLCDFICSA-N -1 1 364.261 2.142 20 10 FECDMM CC(C)CN(C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199775 680870140 /nfs/dbraw/zinc/87/01/40/680870140.db2.gz IEGSAOJZVKDEJG-UHFFFAOYSA-N -1 1 351.266 2.077 20 10 FECDMM O=S(=O)(CC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000766206995 680870322 /nfs/dbraw/zinc/87/03/22/680870322.db2.gz LRGZRBVKMXRLBN-NSHDSACASA-N -1 1 364.261 2.143 20 10 FECDMM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)c(C(F)(F)F)c1 ZINC000843038570 680984169 /nfs/dbraw/zinc/98/41/69/680984169.db2.gz JKDOUDYXUFTZRD-CQSZACIVSA-N -1 1 356.348 2.420 20 10 FECDMM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc2O1 ZINC000769824957 680996533 /nfs/dbraw/zinc/99/65/33/680996533.db2.gz YYAXVSCRYREARN-NSHDSACASA-N -1 1 362.407 2.191 20 10 FECDMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2=CC(=O)CS2)n1 ZINC000846642445 681270862 /nfs/dbraw/zinc/27/08/62/681270862.db2.gz JYHOCUHBOJILOM-JTQLQIEISA-N -1 1 352.416 2.266 20 10 FECDMM O=C(COC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783161157 682119318 /nfs/dbraw/zinc/11/93/18/682119318.db2.gz WXQGCONTBKDXQM-LLVKDONJSA-N -1 1 361.316 2.098 20 10 FECDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000920976822 683384131 /nfs/dbraw/zinc/38/41/31/683384131.db2.gz XEOSXTHGHMNPRM-KPKJPENVSA-N -1 1 362.411 2.098 20 10 FECDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000884964576 687976963 /nfs/dbraw/zinc/97/69/63/687976963.db2.gz OMMFFDZRBQTEBV-UHFFFAOYSA-N -1 1 355.510 2.175 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000890758136 688962573 /nfs/dbraw/zinc/96/25/73/688962573.db2.gz RPQKVLKERLEJMH-WPRPVWTQSA-N -1 1 350.724 2.119 20 10 FECDMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759481 688962674 /nfs/dbraw/zinc/96/26/74/688962674.db2.gz LEDFASCVZYHAHS-LBPRGKRZSA-N -1 1 358.822 2.202 20 10 FECDMM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893151674 689304692 /nfs/dbraw/zinc/30/46/92/689304692.db2.gz RJYDATAZMGCALA-VXGBXAGGSA-N -1 1 360.863 2.201 20 10 FECDMM CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895332501 689697764 /nfs/dbraw/zinc/69/77/64/689697764.db2.gz KOSBMXWRDYWADH-LBPRGKRZSA-N -1 1 374.254 2.482 20 10 FECDMM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000897746648 690074235 /nfs/dbraw/zinc/07/42/35/690074235.db2.gz QWGVNFAHQSJQHU-CZXHOFHRSA-N -1 1 352.818 2.433 20 10 FECDMM CC(=O)N1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)CC1 ZINC000041419596 540020119 /nfs/dbraw/zinc/02/01/19/540020119.db2.gz VTDBLTFXEPELBT-UHFFFAOYSA-N -1 1 373.478 2.464 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265439 550766860 /nfs/dbraw/zinc/76/68/60/550766860.db2.gz QZEZRQYBQSTBBI-INIZCTEOSA-N -1 1 371.393 2.372 20 10 FECDMM COC(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278380737 550779376 /nfs/dbraw/zinc/77/93/76/550779376.db2.gz LRMUKKVWXMASBE-AWEZNQCLSA-N -1 1 360.366 2.183 20 10 FECDMM CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000282463001 551232736 /nfs/dbraw/zinc/23/27/36/551232736.db2.gz JYJFQUJKUNZHKU-UHFFFAOYSA-N -1 1 366.439 2.336 20 10 FECDMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC000363395373 555094440 /nfs/dbraw/zinc/09/44/40/555094440.db2.gz JMSPFLPOGGZVIS-QGZVFWFLSA-N -1 1 366.425 2.129 20 10 FECDMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)n1 ZINC000832730907 603913862 /nfs/dbraw/zinc/91/38/62/603913862.db2.gz WYJUIQWLJIWGHT-UHFFFAOYSA-N -1 1 359.367 2.259 20 10 FECDMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)n[nH]1 ZINC000832730907 603913865 /nfs/dbraw/zinc/91/38/65/603913865.db2.gz WYJUIQWLJIWGHT-UHFFFAOYSA-N -1 1 359.367 2.259 20 10 FECDMM COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@H](C)NC(=O)[O-])C3)c2c1 ZINC000829527392 604438306 /nfs/dbraw/zinc/43/83/06/604438306.db2.gz YJLURJIKDNMVJT-KPZWWZAWSA-N -1 1 360.410 2.411 20 10 FECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000172512873 672342517 /nfs/dbraw/zinc/34/25/17/672342517.db2.gz NQIIWGMRECQIQJ-AWEZNQCLSA-N -1 1 364.511 2.364 20 10 FECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCSC[C@@H]2C)c1 ZINC000172512873 672342520 /nfs/dbraw/zinc/34/25/20/672342520.db2.gz NQIIWGMRECQIQJ-AWEZNQCLSA-N -1 1 364.511 2.364 20 10 FECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000727357875 673167293 /nfs/dbraw/zinc/16/72/93/673167293.db2.gz UCMNGLCEUVTXBX-UHFFFAOYSA-N -1 1 370.452 2.258 20 10 FECDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1F ZINC000736540234 673530657 /nfs/dbraw/zinc/53/06/57/673530657.db2.gz WDAIMPZNYMJXFM-UHFFFAOYSA-N -1 1 352.343 2.314 20 10 FECDMM CC(C)(C)OC(=O)N(CCNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000825702614 675664743 /nfs/dbraw/zinc/66/47/43/675664743.db2.gz DASYXFRRTUFULD-UHFFFAOYSA-N -1 1 354.378 2.366 20 10 FECDMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1c(F)ccc(O)c1[O-] ZINC000826870256 675711639 /nfs/dbraw/zinc/71/16/39/675711639.db2.gz LJFXPXGDNLLTOQ-VIFPVBQESA-N -1 1 351.765 2.294 20 10 FECDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])Cn1cccn1 ZINC000764762395 680820417 /nfs/dbraw/zinc/82/04/17/680820417.db2.gz FAXKMPCXPJCYBS-NSHDSACASA-N -1 1 367.247 2.487 20 10 FECDMM CC(C)(C)NC(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764777085 680820728 /nfs/dbraw/zinc/82/07/28/680820728.db2.gz ARRYHFLLPABHGJ-UHFFFAOYSA-N -1 1 372.263 2.259 20 10 FECDMM Cc1n[nH]c(=O)c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765737144 680853272 /nfs/dbraw/zinc/85/32/72/680853272.db2.gz QWUQMMREUOFUNQ-UHFFFAOYSA-N -1 1 352.188 2.197 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1C(=O)C1CC1 ZINC000843867118 681022896 /nfs/dbraw/zinc/02/28/96/681022896.db2.gz JPFSHNJSDAKYCF-ZDUSSCGKSA-N -1 1 367.243 2.172 20 10 FECDMM Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000773757033 681154624 /nfs/dbraw/zinc/15/46/24/681154624.db2.gz ROHSLZPJXBEWMV-UHFFFAOYSA-N -1 1 364.199 2.113 20 10 FECDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000775286386 681292503 /nfs/dbraw/zinc/29/25/03/681292503.db2.gz GISKEEYPLCEIJG-UHFFFAOYSA-N -1 1 371.392 2.048 20 10 FECDMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000776013896 681356210 /nfs/dbraw/zinc/35/62/10/681356210.db2.gz OQSRNVQJUUWKQI-OLZOCXBDSA-N -1 1 372.805 2.496 20 10 FECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000776433355 681391146 /nfs/dbraw/zinc/39/11/46/681391146.db2.gz RPVRJMOJJBOZCM-UHFFFAOYSA-N -1 1 367.770 2.421 20 10 FECDMM O=C(COC(=O)c1cccnc1Br)c1ccc([O-])c(O)c1 ZINC000784363558 682220301 /nfs/dbraw/zinc/22/03/01/682220301.db2.gz MVUIRKSSNILXMJ-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])c2ncnn21 ZINC000852476519 682287808 /nfs/dbraw/zinc/28/78/08/682287808.db2.gz IZAFWUALYIGQDY-GZMMTYOYSA-N -1 1 366.219 2.251 20 10 FECDMM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000866605957 684125829 /nfs/dbraw/zinc/12/58/29/684125829.db2.gz QPLFEDITHMVVEH-CYBMUJFWSA-N -1 1 367.496 2.328 20 10 FECDMM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886951304 688344793 /nfs/dbraw/zinc/34/47/93/688344793.db2.gz ZSOBKEWUHFNRNF-ZFWWWQNUSA-N -1 1 355.818 2.449 20 10 FECDMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757943 688962666 /nfs/dbraw/zinc/96/26/66/688962666.db2.gz NQVALHUVQMREQS-CQSZACIVSA-N -1 1 374.890 2.256 20 10 FECDMM CC(C)C(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000891802055 689109537 /nfs/dbraw/zinc/10/95/37/689109537.db2.gz MFCQRDHTNXVCAK-UHFFFAOYSA-N -1 1 353.850 2.492 20 10 FECDMM O=C1CCCN1[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894544618 689551363 /nfs/dbraw/zinc/55/13/63/689551363.db2.gz HJOLSPKRKLTQEL-LBPRGKRZSA-N -1 1 357.223 2.491 20 10 FECDMM CCOC(=O)CC1(S(=O)(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000901963133 690722317 /nfs/dbraw/zinc/72/23/17/690722317.db2.gz PAVYXZUVUZJVRO-UHFFFAOYSA-N -1 1 351.783 2.412 20 10 FECDMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1C ZINC000268010184 550036654 /nfs/dbraw/zinc/03/66/54/550036654.db2.gz QRQLUMSOHYJLPP-UHFFFAOYSA-N -1 1 365.455 2.323 20 10 FECDMM NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271208799 550352858 /nfs/dbraw/zinc/35/28/58/550352858.db2.gz XEHZLTWXPMTEGY-VIFPVBQESA-N -1 1 353.271 2.200 20 10 FECDMM Cc1noc(CCCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277489975 550676969 /nfs/dbraw/zinc/67/69/69/550676969.db2.gz QLAYEFNDBRLIDC-UHFFFAOYSA-N -1 1 369.219 2.278 20 10 FECDMM CC(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277493107 550677275 /nfs/dbraw/zinc/67/72/75/550677275.db2.gz JQPKJSYKDPUWSN-LBPRGKRZSA-N -1 1 355.232 2.029 20 10 FECDMM COC(=O)Cn1cc(CN(Cc2ccccc2O)C2CCCCC2)nn1 ZINC000294512142 552912068 /nfs/dbraw/zinc/91/20/68/552912068.db2.gz DARDXPQTZSVGQF-UHFFFAOYSA-N -1 1 358.442 2.492 20 10 FECDMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000295583155 553028987 /nfs/dbraw/zinc/02/89/87/553028987.db2.gz SFYKQLCMCWMSFL-ZDUSSCGKSA-N -1 1 358.369 2.015 20 10 FECDMM C[C@H](c1nccs1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000296329214 553142210 /nfs/dbraw/zinc/14/22/10/553142210.db2.gz PCVQYSKKEVJMMK-SNVBAGLBSA-N -1 1 351.403 2.212 20 10 FECDMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736138317 599418525 /nfs/dbraw/zinc/41/85/25/599418525.db2.gz QNUGVFMFPJFLMO-ZDUSSCGKSA-N -1 1 351.414 2.271 20 10 FECDMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736138317 599418529 /nfs/dbraw/zinc/41/85/29/599418529.db2.gz QNUGVFMFPJFLMO-ZDUSSCGKSA-N -1 1 351.414 2.271 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000094121097 670757389 /nfs/dbraw/zinc/75/73/89/670757389.db2.gz HFOREGMWWNFBJK-UHFFFAOYSA-N -1 1 360.313 2.433 20 10 FECDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nn1C(C)C ZINC000817701236 675163277 /nfs/dbraw/zinc/16/32/77/675163277.db2.gz FGVHPQNUSSELDG-UHFFFAOYSA-N -1 1 352.416 2.102 20 10 FECDMM O=C(CCOC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000765755001 680854239 /nfs/dbraw/zinc/85/42/39/680854239.db2.gz ZKNCXDMXYROQLD-LBPRGKRZSA-N -1 1 358.232 2.357 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C1(N2CCOCC2)CCC1 ZINC000765765463 680854399 /nfs/dbraw/zinc/85/43/99/680854399.db2.gz RXQQLTMGXLYZSB-UHFFFAOYSA-N -1 1 369.259 2.026 20 10 FECDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000751319639 680167982 /nfs/dbraw/zinc/16/79/82/680167982.db2.gz ZIEWEIMHNSYIGP-SECBINFHSA-N -1 1 370.358 2.488 20 10 FECDMM C[C@H](Cc1cnn(C)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000837581959 680621900 /nfs/dbraw/zinc/62/19/00/680621900.db2.gz KYQPZSKLMKGFQL-SNVBAGLBSA-N -1 1 352.232 2.383 20 10 FECDMM Nc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766202264 680870066 /nfs/dbraw/zinc/87/00/66/680870066.db2.gz YXFKQEXJZCWBFG-UHFFFAOYSA-N -1 1 357.229 2.215 20 10 FECDMM CCOc1ccccc1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770115971 681006283 /nfs/dbraw/zinc/00/62/83/681006283.db2.gz RLTMQVZADAIRPF-UHFFFAOYSA-N -1 1 364.423 2.439 20 10 FECDMM CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[S@@]1=O ZINC000775070079 681272373 /nfs/dbraw/zinc/27/23/73/681272373.db2.gz HNZXYQNSGZFCKJ-DEOSSOPVSA-N -1 1 356.444 2.432 20 10 FECDMM COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccs1 ZINC000775101978 681274526 /nfs/dbraw/zinc/27/45/26/681274526.db2.gz YRZGPCNWXHDVEK-LBPRGKRZSA-N -1 1 352.368 2.374 20 10 FECDMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000776013881 681356189 /nfs/dbraw/zinc/35/61/89/681356189.db2.gz OQSRNVQJUUWKQI-CHWSQXEVSA-N -1 1 372.805 2.496 20 10 FECDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000778556133 681623244 /nfs/dbraw/zinc/62/32/44/681623244.db2.gz AFGLJTNCHIKKFX-UHFFFAOYSA-N -1 1 370.452 2.005 20 10 FECDMM O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc([O-])c(O)c1 ZINC000916590470 685525801 /nfs/dbraw/zinc/52/58/01/685525801.db2.gz DDBZTCKXPRWKQH-UHFFFAOYSA-N -1 1 359.359 2.182 20 10 FECDMM O=C(COC(=O)c1ccnc(OCC(F)F)c1)c1ccc([O-])c(O)c1 ZINC000784402954 682223277 /nfs/dbraw/zinc/22/32/77/682223277.db2.gz GNWYFBQAEOQXBV-UHFFFAOYSA-N -1 1 353.277 2.176 20 10 FECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000788491098 682533673 /nfs/dbraw/zinc/53/36/73/682533673.db2.gz DXNJYVRYBFEDEW-UHFFFAOYSA-N -1 1 350.396 2.046 20 10 FECDMM CC(C)Cc1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000792616148 682822890 /nfs/dbraw/zinc/82/28/90/682822890.db2.gz FUWPHUZGKRPVRM-UHFFFAOYSA-N -1 1 364.427 2.005 20 10 FECDMM CC1(C)C[C@@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000859133655 683043917 /nfs/dbraw/zinc/04/39/17/683043917.db2.gz DKKFJALVCIKCOY-SNVBAGLBSA-N -1 1 364.261 2.142 20 10 FECDMM CC(C)Oc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000919819317 683300958 /nfs/dbraw/zinc/30/09/58/683300958.db2.gz NKBNDRZQEBRBLY-UHFFFAOYSA-N -1 1 365.411 2.198 20 10 FECDMM CC(C)CN1C(=O)C(=CN[C@@H]2CCCc3ccccc32)C(=O)[N-]C1=S ZINC000920976928 683384318 /nfs/dbraw/zinc/38/43/18/683384318.db2.gz SCVYIUWKGLWIIW-AAGJOFLKSA-N -1 1 357.479 2.437 20 10 FECDMM CC(C)C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCNC1=O ZINC000867830901 684403382 /nfs/dbraw/zinc/40/33/82/684403382.db2.gz LAAFAGBWYWFKAX-MRXNPFEDSA-N -1 1 369.259 2.323 20 10 FECDMM C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2Cl)C1 ZINC000868065358 684446514 /nfs/dbraw/zinc/44/65/14/684446514.db2.gz NBQUQBKFZCVLFP-GFCCVEGCSA-N -1 1 362.865 2.338 20 10 FECDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000890756776 688962662 /nfs/dbraw/zinc/96/26/62/688962662.db2.gz HMAKXMUKEDMDMW-WXHSDQCUSA-N -1 1 364.829 2.226 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000890763048 688963236 /nfs/dbraw/zinc/96/32/36/688963236.db2.gz NNUMHDZVRWNHFH-JTQLQIEISA-N -1 1 364.751 2.463 20 10 FECDMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000894893202 689614996 /nfs/dbraw/zinc/61/49/96/689614996.db2.gz FLWGTXAZKIFGKI-OFQRWUPVSA-N -1 1 365.861 2.492 20 10 FECDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995423 543426664 /nfs/dbraw/zinc/42/66/64/543426664.db2.gz XEXOBAXFMYCMHO-UHFFFAOYSA-N -1 1 359.451 2.447 20 10 FECDMM O=C(NCc1cc(Br)ccc1O)C(=O)c1ccc([O-])cc1 ZINC000804735708 674299208 /nfs/dbraw/zinc/29/92/08/674299208.db2.gz HGWHAMBMLAEXPG-UHFFFAOYSA-N -1 1 350.168 2.359 20 10 FECDMM CCOC(=O)NCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277513646 550679717 /nfs/dbraw/zinc/67/97/17/550679717.db2.gz LDRBPDNNBMSSIC-UHFFFAOYSA-N -1 1 359.220 2.297 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1[O-] ZINC000285474265 551761945 /nfs/dbraw/zinc/76/19/45/551761945.db2.gz CGRKXBSJNBESQR-CQSZACIVSA-N -1 1 374.890 2.104 20 10 FECDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000808110966 674441770 /nfs/dbraw/zinc/44/17/70/674441770.db2.gz DDAJJWXFXDEKMK-UHFFFAOYSA-N -1 1 364.423 2.294 20 10 FECDMM CNC(=O)c1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737551317 600285812 /nfs/dbraw/zinc/28/58/12/600285812.db2.gz ZLIPNAJLHSLGCG-UHFFFAOYSA-N -1 1 362.813 2.492 20 10 FECDMM CNC(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737551317 600285815 /nfs/dbraw/zinc/28/58/15/600285815.db2.gz ZLIPNAJLHSLGCG-UHFFFAOYSA-N -1 1 362.813 2.492 20 10 FECDMM O=C([O-])NCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000832608663 605522744 /nfs/dbraw/zinc/52/27/44/605522744.db2.gz LTKAVTQQJWFGHM-CQSZACIVSA-N -1 1 369.849 2.174 20 10 FECDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000826511631 608235589 /nfs/dbraw/zinc/23/55/89/608235589.db2.gz YBYOQZJUQNEUAE-AWEZNQCLSA-N -1 1 352.398 2.153 20 10 FECDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000826511631 608235591 /nfs/dbraw/zinc/23/55/91/608235591.db2.gz YBYOQZJUQNEUAE-AWEZNQCLSA-N -1 1 352.398 2.153 20 10 FECDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966322 608393728 /nfs/dbraw/zinc/39/37/28/608393728.db2.gz XYZBMUOHDYERAC-UHFFFAOYSA-N -1 1 350.430 2.283 20 10 FECDMM CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966322 608393730 /nfs/dbraw/zinc/39/37/30/608393730.db2.gz XYZBMUOHDYERAC-UHFFFAOYSA-N -1 1 350.430 2.283 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000060862102 670390265 /nfs/dbraw/zinc/39/02/65/670390265.db2.gz FZFNVXDWVVMKFA-JYRVWZFOSA-N -1 1 351.859 2.213 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000177439665 672382606 /nfs/dbraw/zinc/38/26/06/672382606.db2.gz OZCOGELFJNBHOQ-UHFFFAOYSA-N -1 1 370.402 2.140 20 10 FECDMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825665597 675662805 /nfs/dbraw/zinc/66/28/05/675662805.db2.gz UPZHYDMGNZRERC-NSHDSACASA-N -1 1 352.406 2.250 20 10 FECDMM C[C@@H]1C[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000762286892 680746798 /nfs/dbraw/zinc/74/67/98/680746798.db2.gz FBFWWGABNUUDFC-NXEZZACHSA-N -1 1 353.400 2.096 20 10 FECDMM CC(C)C(=O)NCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764801333 680821569 /nfs/dbraw/zinc/82/15/69/680821569.db2.gz UQWGWPSRDPDCNM-UHFFFAOYSA-N -1 1 372.263 2.116 20 10 FECDMM Cc1cc(=O)n(C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765301086 680838862 /nfs/dbraw/zinc/83/88/62/680838862.db2.gz MSVZQFPWXJGKHJ-UHFFFAOYSA-N -1 1 366.215 2.484 20 10 FECDMM COC(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765728492 680852925 /nfs/dbraw/zinc/85/29/25/680852925.db2.gz UEHZXBVBSRLGMO-UHFFFAOYSA-N -1 1 365.183 2.266 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)C1CCSCC1 ZINC000840926124 680854111 /nfs/dbraw/zinc/85/41/11/680854111.db2.gz LVIORPJFGVVZQX-UHFFFAOYSA-N -1 1 358.257 2.483 20 10 FECDMM C[C@@H](NCc1nnnn1C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756730805 680495217 /nfs/dbraw/zinc/49/52/17/680495217.db2.gz BVDKWLDVPZNURY-SSDOTTSWSA-N -1 1 356.199 2.466 20 10 FECDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000758773988 680606905 /nfs/dbraw/zinc/60/69/05/680606905.db2.gz KUWOHMUPGCEKJF-UHFFFAOYSA-N -1 1 365.407 2.421 20 10 FECDMM Cc1ncc(S(=O)(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766201382 680870137 /nfs/dbraw/zinc/87/01/37/680870137.db2.gz RQWQDBJVYMQCHR-UHFFFAOYSA-N -1 1 363.258 2.398 20 10 FECDMM O=S(=O)(CC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000766206994 680870284 /nfs/dbraw/zinc/87/02/84/680870284.db2.gz LRGZRBVKMXRLBN-LLVKDONJSA-N -1 1 364.261 2.143 20 10 FECDMM C[C@H](C1CC1)n1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000779158853 681685661 /nfs/dbraw/zinc/68/56/61/681685661.db2.gz ZHLDRMQRSXTWAY-SNVBAGLBSA-N -1 1 364.427 2.184 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ncns3)CC2)c1[O-] ZINC000852127575 682224495 /nfs/dbraw/zinc/22/44/95/682224495.db2.gz SHHRIPWXLCHBLX-UHFFFAOYSA-N -1 1 352.847 2.422 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000790415491 682675197 /nfs/dbraw/zinc/67/51/97/682675197.db2.gz HAAJGTNUVGBWNV-UHFFFAOYSA-N -1 1 355.437 2.159 20 10 FECDMM O=C(COC(=O)c1nc(Br)ccc1F)c1ccc([O-])c(O)c1 ZINC000795848847 683097874 /nfs/dbraw/zinc/09/78/74/683097874.db2.gz AJLMQURJQQVGNW-UHFFFAOYSA-N -1 1 370.130 2.434 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1O ZINC000797820301 683276548 /nfs/dbraw/zinc/27/65/48/683276548.db2.gz QBQSABVVVVKTDH-UHFFFAOYSA-N -1 1 364.379 2.158 20 10 FECDMM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368771 685203655 /nfs/dbraw/zinc/20/36/55/685203655.db2.gz FVLANQBYDDLIPT-GOEBONIOSA-N -1 1 368.861 2.483 20 10 FECDMM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368771 685203658 /nfs/dbraw/zinc/20/36/58/685203658.db2.gz FVLANQBYDDLIPT-GOEBONIOSA-N -1 1 368.861 2.483 20 10 FECDMM Cc1csc(CC2(O)CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1 ZINC000880677389 687074355 /nfs/dbraw/zinc/07/43/55/687074355.db2.gz HWIHKMCNLVUCDS-UHFFFAOYSA-N -1 1 366.414 2.212 20 10 FECDMM CC(C)(C)C(=O)Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1 ZINC000890760097 688962952 /nfs/dbraw/zinc/96/29/52/688962952.db2.gz HTVOHCUPJMTEPV-UHFFFAOYSA-N -1 1 350.806 2.182 20 10 FECDMM CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])N1CCOCC1 ZINC000891738383 689099423 /nfs/dbraw/zinc/09/94/23/689099423.db2.gz HLNQVSNCCZXKGT-HNNXBMFYSA-N -1 1 355.866 2.202 20 10 FECDMM C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895323669 689695873 /nfs/dbraw/zinc/69/58/73/689695873.db2.gz FVMOOVCBGQKJPL-MFKMUULPSA-N -1 1 350.640 2.126 20 10 FECDMM COC(=O)c1cnc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)s1 ZINC000900703062 690550326 /nfs/dbraw/zinc/55/03/26/690550326.db2.gz FCFXZTCQHALQEO-MRVPVSSYSA-N -1 1 366.370 2.110 20 10 FECDMM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])CCS2 ZINC000900845053 690573338 /nfs/dbraw/zinc/57/33/38/690573338.db2.gz WQJWFMGTBSGHAU-RIHZTJQASA-N -1 1 369.414 2.184 20 10 FECDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000901703567 690681544 /nfs/dbraw/zinc/68/15/44/690681544.db2.gz IOYLUFQAKKJZKH-HNNXBMFYSA-N -1 1 351.424 2.400 20 10 FECDMM CCOC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cn1C ZINC000908329135 691660672 /nfs/dbraw/zinc/66/06/72/691660672.db2.gz PXWFFDAGTANOQH-UHFFFAOYSA-N -1 1 372.830 2.039 20 10 FECDMM CCOC(=O)C1CCN(C(=O)CN(C)Cc2cccc(Cl)c2[O-])CC1 ZINC000180013094 547039142 /nfs/dbraw/zinc/03/91/42/547039142.db2.gz XCCRANABXAJARY-UHFFFAOYSA-N -1 1 368.861 2.279 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(CN2CCCCC2=O)CC1 ZINC000276604475 550579441 /nfs/dbraw/zinc/57/94/41/550579441.db2.gz OSTZMBGYFPLDLZ-UHFFFAOYSA-N -1 1 350.390 2.102 20 10 FECDMM CC(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1CCCC1=O ZINC000277492910 550677116 /nfs/dbraw/zinc/67/71/16/550677116.db2.gz JMYLDVGRWLTOBP-AWEZNQCLSA-N -1 1 369.259 2.418 20 10 FECDMM Cc1noc(C)c1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277521833 550680385 /nfs/dbraw/zinc/68/03/85/550680385.db2.gz SVAQZACLHSSPTE-UHFFFAOYSA-N -1 1 361.217 2.238 20 10 FECDMM CC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000287199390 551975678 /nfs/dbraw/zinc/97/56/78/551975678.db2.gz UNNDZEQHXJQJBC-CYBMUJFWSA-N -1 1 355.232 2.172 20 10 FECDMM CCn1ccnc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000298532745 553436893 /nfs/dbraw/zinc/43/68/93/553436893.db2.gz VEWGQWLGHVLRMG-UHFFFAOYSA-N -1 1 353.220 2.371 20 10 FECDMM C[C@@](O)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)cc1 ZINC000815499478 674954991 /nfs/dbraw/zinc/95/49/91/674954991.db2.gz DFNDINBWMMOACJ-KRWDZBQOSA-N -1 1 350.754 2.385 20 10 FECDMM CCC[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nn[n-]n1 ZINC000817956995 675187936 /nfs/dbraw/zinc/18/79/36/675187936.db2.gz HBGPXSCYTITBPV-GFCCVEGCSA-N -1 1 357.443 2.100 20 10 FECDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000176680841 672376191 /nfs/dbraw/zinc/37/61/91/672376191.db2.gz MPWHKTJPDCMQTC-UHFFFAOYSA-N -1 1 358.416 2.306 20 10 FECDMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000192718368 672699377 /nfs/dbraw/zinc/69/93/77/672699377.db2.gz SPICDWNEBXNBGS-UHFFFAOYSA-N -1 1 374.340 2.485 20 10 FECDMM CN1CCCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000822458860 675486325 /nfs/dbraw/zinc/48/63/25/675486325.db2.gz MGXHLESHEXPVLL-NSHDSACASA-N -1 1 355.232 2.029 20 10 FECDMM CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828935414 675853236 /nfs/dbraw/zinc/85/32/36/675853236.db2.gz AQRUHBPXOSXFTG-QWRGUYRKSA-N -1 1 354.378 2.224 20 10 FECDMM C[C@H]1C[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000762286895 680746733 /nfs/dbraw/zinc/74/67/33/680746733.db2.gz FBFWWGABNUUDFC-VHSXEESVSA-N -1 1 353.400 2.096 20 10 FECDMM Cc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1O ZINC000762690403 680758719 /nfs/dbraw/zinc/75/87/19/680758719.db2.gz VYLLQVCFSOISOU-UHFFFAOYSA-N -1 1 350.396 2.338 20 10 FECDMM CCO[C@H]1COCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764806002 680821713 /nfs/dbraw/zinc/82/17/13/680821713.db2.gz MSSYESWIFLIGRY-OLZOCXBDSA-N -1 1 373.247 2.148 20 10 FECDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000840918726 680853301 /nfs/dbraw/zinc/85/33/01/680853301.db2.gz XBKZEGWRNJJXBL-UHFFFAOYSA-N -1 1 351.380 2.377 20 10 FECDMM O=C(NCc1cccc(Br)c1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000765944852 680860659 /nfs/dbraw/zinc/86/06/59/680860659.db2.gz SFAUGASQJJVZKU-UHFFFAOYSA-N -1 1 368.143 2.094 20 10 FECDMM COC(=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000750056865 680098366 /nfs/dbraw/zinc/09/83/66/680098366.db2.gz KYCNZNUNFZAEOF-UHFFFAOYSA-N -1 1 355.818 2.402 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1[O-] ZINC000832550201 680147986 /nfs/dbraw/zinc/14/79/86/680147986.db2.gz MANFYVYTCIBBBE-AWEZNQCLSA-N -1 1 353.850 2.484 20 10 FECDMM COc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1O ZINC000751308875 680167425 /nfs/dbraw/zinc/16/74/25/680167425.db2.gz FGUWZNHDGYAWMQ-UHFFFAOYSA-N -1 1 372.786 2.441 20 10 FECDMM CO[C@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836571913 680485096 /nfs/dbraw/zinc/48/50/96/680485096.db2.gz CHXCGZLLAOCXJF-GWCFXTLKSA-N -1 1 373.247 2.005 20 10 FECDMM Nc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201906 680870040 /nfs/dbraw/zinc/87/00/40/680870040.db2.gz XDFKVPDFWKFEHH-UHFFFAOYSA-N -1 1 357.229 2.215 20 10 FECDMM O=Cc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201312 680870112 /nfs/dbraw/zinc/87/01/12/680870112.db2.gz QXNLVGDSVCCNCU-UHFFFAOYSA-N -1 1 370.224 2.446 20 10 FECDMM C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207978 680870368 /nfs/dbraw/zinc/87/03/68/680870368.db2.gz TZGURZZQTAOAON-VIFPVBQESA-N -1 1 363.277 2.219 20 10 FECDMM COc1c(F)cc(F)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769994821 681002491 /nfs/dbraw/zinc/00/24/91/681002491.db2.gz XHDDLNGCEDAZCG-UHFFFAOYSA-N -1 1 372.349 2.303 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2ncncc2C1 ZINC000843868116 681023070 /nfs/dbraw/zinc/02/30/70/681023070.db2.gz YFPPMDHYLARKSI-SNVBAGLBSA-N -1 1 362.227 2.366 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc(=O)[nH]c(C2CC2)n1 ZINC000847929671 681453602 /nfs/dbraw/zinc/45/36/02/681453602.db2.gz ULDAWJCZMLYRKP-UHFFFAOYSA-N -1 1 364.199 2.458 20 10 FECDMM Cc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1CO ZINC000787564821 682465496 /nfs/dbraw/zinc/46/54/96/682465496.db2.gz MOZCRGMKRLVGKW-UHFFFAOYSA-N -1 1 364.423 2.125 20 10 FECDMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1OC ZINC000789944680 682639877 /nfs/dbraw/zinc/63/98/77/682639877.db2.gz WFKBDUCYBJPHIL-UHFFFAOYSA-N -1 1 351.330 2.193 20 10 FECDMM COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000795331646 683040592 /nfs/dbraw/zinc/04/05/92/683040592.db2.gz HTQRSIBSDKTVPV-UHFFFAOYSA-N -1 1 367.379 2.046 20 10 FECDMM CCCCc1ccc(NC=C2C(=O)[N-]C(=S)N(CCOC)C2=O)cc1 ZINC000920975102 683384165 /nfs/dbraw/zinc/38/41/65/683384165.db2.gz ZSCZGGHDCGEITF-NTCAYCPXSA-N -1 1 361.467 2.215 20 10 FECDMM Cc1c(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000920976129 683384248 /nfs/dbraw/zinc/38/42/48/683384248.db2.gz IVOPDYDMADZLNH-YRNVUSSQSA-N -1 1 362.411 2.098 20 10 FECDMM O=S(=O)(C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)N1CCCC1 ZINC000877501394 686392542 /nfs/dbraw/zinc/39/25/42/686392542.db2.gz OAIPMDNFYWXMSV-UHFFFAOYSA-N -1 1 360.426 2.060 20 10 FECDMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000894893200 689615100 /nfs/dbraw/zinc/61/51/00/689615100.db2.gz FLWGTXAZKIFGKI-LZWOXQAQSA-N -1 1 365.861 2.492 20 10 FECDMM Cn1ccnc1[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895275335 689689020 /nfs/dbraw/zinc/68/90/20/689689020.db2.gz XXBNZXIAIXZQBC-TZMCWYRMSA-N -1 1 364.833 2.499 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(C2(O)CCOCC2)CC1 ZINC000896630238 689908517 /nfs/dbraw/zinc/90/85/17/689908517.db2.gz RMUJWZGXHUQOKP-UHFFFAOYSA-N -1 1 354.834 2.167 20 10 FECDMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])CCS2 ZINC000900845056 690573390 /nfs/dbraw/zinc/57/33/90/690573390.db2.gz WQJWFMGTBSGHAU-SGMNGZOCSA-N -1 1 369.414 2.184 20 10 FECDMM CCC(=O)N1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277404744 550666431 /nfs/dbraw/zinc/66/64/31/550666431.db2.gz BQXSAWWPAFZIAW-LLVKDONJSA-N -1 1 355.232 2.029 20 10 FECDMM CC[C@H](C)NC(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277425872 550669100 /nfs/dbraw/zinc/66/91/00/550669100.db2.gz LLZKASLDHCTWMA-JTQLQIEISA-N -1 1 372.263 2.259 20 10 FECDMM COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)c3nn[n-]n3)ccc21 ZINC000461636649 560778281 /nfs/dbraw/zinc/77/82/81/560778281.db2.gz LPGRZSMGMWHEGF-UHFFFAOYSA-N -1 1 356.430 2.083 20 10 FECDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(CC(F)F)c1 ZINC000808113749 674441750 /nfs/dbraw/zinc/44/17/50/674441750.db2.gz INAOQBOQMZNEPB-UHFFFAOYSA-N -1 1 355.725 2.447 20 10 FECDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736138315 599419129 /nfs/dbraw/zinc/41/91/29/599419129.db2.gz QNUGVFMFPJFLMO-CYBMUJFWSA-N -1 1 351.414 2.271 20 10 FECDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736138315 599419130 /nfs/dbraw/zinc/41/91/30/599419130.db2.gz QNUGVFMFPJFLMO-CYBMUJFWSA-N -1 1 351.414 2.271 20 10 FECDMM C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000833820507 605679065 /nfs/dbraw/zinc/67/90/65/605679065.db2.gz RVCHMZSEIZNTDK-JOYOIKCWSA-N -1 1 359.220 2.012 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccc(F)c(F)c2F)C(=O)[N-]C1=S ZINC000060861914 670390219 /nfs/dbraw/zinc/39/02/19/670390219.db2.gz BFZRNSWERGCZCQ-YVMONPNESA-N -1 1 357.357 2.299 20 10 FECDMM COCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000818055667 675193806 /nfs/dbraw/zinc/19/38/06/675193806.db2.gz ZSUPGKXCKMAEQG-UHFFFAOYSA-N -1 1 363.798 2.403 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C3CCCC3)[nH]n2)c1 ZINC000740927360 673661396 /nfs/dbraw/zinc/66/13/96/673661396.db2.gz ZQPRJKAOWVMSSI-UHFFFAOYSA-N -1 1 364.427 2.397 20 10 FECDMM CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827544475 675764073 /nfs/dbraw/zinc/76/40/73/675764073.db2.gz BSSYFEYBFSIPGT-LBPRGKRZSA-N -1 1 356.810 2.142 20 10 FECDMM CCO[C@H]1COCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764806007 680821775 /nfs/dbraw/zinc/82/17/75/680821775.db2.gz MSSYESWIFLIGRY-STQMWFEESA-N -1 1 373.247 2.148 20 10 FECDMM CC1(C)OC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000765535574 680845709 /nfs/dbraw/zinc/84/57/09/680845709.db2.gz JIEIWUKTCZPWKB-SNVBAGLBSA-N -1 1 359.220 2.105 20 10 FECDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000840914602 680852574 /nfs/dbraw/zinc/85/25/74/680852574.db2.gz CZZDNTSQIGRTIJ-UHFFFAOYSA-N -1 1 353.396 2.357 20 10 FECDMM CCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765727902 680852884 /nfs/dbraw/zinc/85/28/84/680852884.db2.gz QPIOMNPGPIARHN-GFCCVEGCSA-N -1 1 369.259 2.420 20 10 FECDMM NC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765766199 680854619 /nfs/dbraw/zinc/85/46/19/680854619.db2.gz VSQPBGZMLYSDRJ-UHFFFAOYSA-N -1 1 355.213 2.245 20 10 FECDMM O=C(NCc1cccc(Br)c1O)c1nc2ccccc2c(=O)[n-]1 ZINC000766237345 680871475 /nfs/dbraw/zinc/87/14/75/680871475.db2.gz ZXCBMDAQJICEMR-UHFFFAOYSA-N -1 1 374.194 2.321 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c(C)c1O ZINC000775292334 681293765 /nfs/dbraw/zinc/29/37/65/681293765.db2.gz YIBWVSWENVVQMQ-UHFFFAOYSA-N -1 1 360.391 2.002 20 10 FECDMM CCOC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781913407 681988728 /nfs/dbraw/zinc/98/87/28/681988728.db2.gz UFDSXSXLNYUQRY-ZDUSSCGKSA-N -1 1 358.232 2.227 20 10 FECDMM O=S(=O)(CC1(F)CCC1)NCc1cccc(Br)c1[O-] ZINC000915014649 685511047 /nfs/dbraw/zinc/51/10/47/685511047.db2.gz NQYKELRCFPWNGJ-UHFFFAOYSA-N -1 1 352.225 2.466 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000782836413 682086077 /nfs/dbraw/zinc/08/60/77/682086077.db2.gz WOBLBRGGFADWAC-UHFFFAOYSA-N -1 1 361.423 2.290 20 10 FECDMM COc1ccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)c(O)c1 ZINC000794387079 682964242 /nfs/dbraw/zinc/96/42/42/682964242.db2.gz DTQADCXLBMIMLB-UHFFFAOYSA-N -1 1 363.439 2.176 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(C)c1 ZINC000797819584 683275965 /nfs/dbraw/zinc/27/59/65/683275965.db2.gz NKSAHIDMDCWBAJ-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1O ZINC000797819976 683276335 /nfs/dbraw/zinc/27/63/35/683276335.db2.gz ZUFAIFGTYWBEEZ-UHFFFAOYSA-N -1 1 362.407 2.328 20 10 FECDMM NC(=O)CNC(=O)Nc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000797882250 683285681 /nfs/dbraw/zinc/28/56/81/683285681.db2.gz FCFFQMQQLRBYBS-UHFFFAOYSA-N -1 1 366.780 2.404 20 10 FECDMM CNC(=O)Cn1nc(NCc2cc(Br)cc(F)c2[O-])cc1C ZINC000883080406 687558739 /nfs/dbraw/zinc/55/87/39/687558739.db2.gz ZHAJJDUISXIFON-UHFFFAOYSA-N -1 1 371.210 2.157 20 10 FECDMM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893151672 689304918 /nfs/dbraw/zinc/30/49/18/689304918.db2.gz RJYDATAZMGCALA-NWDGAFQWSA-N -1 1 360.863 2.201 20 10 FECDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(O)(COCCO)CC1 ZINC000895827106 689776742 /nfs/dbraw/zinc/77/67/42/689776742.db2.gz KCTHLEFMPDGVDQ-UHFFFAOYSA-N -1 1 350.242 2.035 20 10 FECDMM CC(C)(C)OC(=O)COCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000896101027 689820668 /nfs/dbraw/zinc/82/06/68/689820668.db2.gz CDJOMQHKKMRWRY-UHFFFAOYSA-N -1 1 358.822 2.203 20 10 FECDMM CC(C)O[C@]1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CCOC1 ZINC000908326492 691659975 /nfs/dbraw/zinc/65/99/75/691659975.db2.gz BBXLAECAQPFQLK-OAHLLOKOSA-N -1 1 363.863 2.049 20 10 FECDMM O=C([N-]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)C(F)F ZINC000176984587 546518681 /nfs/dbraw/zinc/51/86/81/546518681.db2.gz YPQKDFWAYQIIQJ-UHFFFAOYSA-N -1 1 352.303 2.303 20 10 FECDMM CCOC(=O)C1(O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000267364212 550030618 /nfs/dbraw/zinc/03/06/18/550030618.db2.gz IUKZOJBUKGSLTL-UHFFFAOYSA-N -1 1 355.818 2.138 20 10 FECDMM CC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000287199393 551975506 /nfs/dbraw/zinc/97/55/06/551975506.db2.gz UNNDZEQHXJQJBC-ZDUSSCGKSA-N -1 1 355.232 2.172 20 10 FECDMM Cc1nnc(CCNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000291846747 552667702 /nfs/dbraw/zinc/66/77/02/552667702.db2.gz JKQJJEWEQUQYPS-UHFFFAOYSA-N -1 1 371.260 2.357 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000295890883 553072500 /nfs/dbraw/zinc/07/25/00/553072500.db2.gz CQUJRBWSRVLIGA-LJQANCHMSA-N -1 1 363.360 2.443 20 10 FECDMM O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000806505971 674379284 /nfs/dbraw/zinc/37/92/84/674379284.db2.gz FMZNPVNQJWMPMX-UHFFFAOYSA-N -1 1 356.447 2.445 20 10 FECDMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000377595092 558373278 /nfs/dbraw/zinc/37/32/78/558373278.db2.gz KNQWPAKGNPHWLP-QGZVFWFLSA-N -1 1 366.425 2.129 20 10 FECDMM Clc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1-c1nnn[n-]1 ZINC000737573423 598576731 /nfs/dbraw/zinc/57/67/31/598576731.db2.gz HFPGOTLPGGOLAA-UHFFFAOYSA-N -1 1 371.832 2.364 20 10 FECDMM Clc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1-c1nn[n-]n1 ZINC000737573423 598576732 /nfs/dbraw/zinc/57/67/32/598576732.db2.gz HFPGOTLPGGOLAA-UHFFFAOYSA-N -1 1 371.832 2.364 20 10 FECDMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000041452091 670146542 /nfs/dbraw/zinc/14/65/42/670146542.db2.gz UWKLLVLJRUUSOL-UHFFFAOYSA-N -1 1 362.363 2.173 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc32)c1 ZINC000060472614 670386019 /nfs/dbraw/zinc/38/60/19/670386019.db2.gz AUQWLTJDNZLHCN-UHFFFAOYSA-N -1 1 350.371 2.106 20 10 FECDMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1c([O-])c(O)ccc1F ZINC000764427096 680808677 /nfs/dbraw/zinc/80/86/77/680808677.db2.gz NBSGUSZCNAQSOH-UHFFFAOYSA-N -1 1 373.789 2.094 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2n[nH]cc2C1 ZINC000764796504 680821222 /nfs/dbraw/zinc/82/12/22/680821222.db2.gz FLVGIPNNAAOBPJ-NSHDSACASA-N -1 1 365.231 2.235 20 10 FECDMM Cn1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1=O ZINC000765294292 680838629 /nfs/dbraw/zinc/83/86/29/680838629.db2.gz MPCBMXRVEJUYQB-UHFFFAOYSA-N -1 1 352.188 2.175 20 10 FECDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000766047486 680864256 /nfs/dbraw/zinc/86/42/56/680864256.db2.gz KDOVAHHXKWLDEY-UHFFFAOYSA-N -1 1 358.375 2.237 20 10 FECDMM CON1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000834476406 680232470 /nfs/dbraw/zinc/23/24/70/680232470.db2.gz XWIUKNCXPAHBMB-UHFFFAOYSA-N -1 1 357.248 2.434 20 10 FECDMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169031 680558633 /nfs/dbraw/zinc/55/86/33/680558633.db2.gz KTKMNKXZYXOSKA-UHFFFAOYSA-N -1 1 360.750 2.167 20 10 FECDMM CSc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccn1 ZINC000767154403 680900830 /nfs/dbraw/zinc/90/08/30/680900830.db2.gz FFGSJSLKGQLLMH-UHFFFAOYSA-N -1 1 353.425 2.133 20 10 FECDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C[C@H]3CCCO3)CC2)c1[O-] ZINC000768191506 680940058 /nfs/dbraw/zinc/94/00/58/680940058.db2.gz HWWIALVFACDLLI-CQSZACIVSA-N -1 1 355.822 2.250 20 10 FECDMM CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cnccn1 ZINC000768413060 680946425 /nfs/dbraw/zinc/94/64/25/680946425.db2.gz AXLKTJJCZDKMIL-UHFFFAOYSA-N -1 1 357.395 2.141 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cccc(F)c32)c1 ZINC000769381061 680980070 /nfs/dbraw/zinc/98/00/70/680980070.db2.gz XJSXRQIWYINUTD-UHFFFAOYSA-N -1 1 350.371 2.106 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2scnc2C2CC2)c1 ZINC000770149113 681007328 /nfs/dbraw/zinc/00/73/28/681007328.db2.gz CCLXQJPLMOTLEB-UHFFFAOYSA-N -1 1 353.425 2.350 20 10 FECDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776747614 681432574 /nfs/dbraw/zinc/43/25/74/681432574.db2.gz GPKUDTVKTVLONV-UHFFFAOYSA-N -1 1 355.437 2.295 20 10 FECDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000776748845 681433028 /nfs/dbraw/zinc/43/30/28/681433028.db2.gz LEWKFYQTMOTEDY-UHFFFAOYSA-N -1 1 373.839 2.176 20 10 FECDMM CCS(=O)(=O)CCN(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781914729 681988461 /nfs/dbraw/zinc/98/84/61/681988461.db2.gz ZAQMYAYDQFSEHI-UHFFFAOYSA-N -1 1 350.278 2.330 20 10 FECDMM CC(C)(C)OC(=O)NC(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783248663 682128489 /nfs/dbraw/zinc/12/84/89/682128489.db2.gz GAKIBZIQHYTAAK-UHFFFAOYSA-N -1 1 353.371 2.127 20 10 FECDMM CC(C)(C)OC(=O)C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864512443 683862874 /nfs/dbraw/zinc/86/28/74/683862874.db2.gz IKNUKFYCMBOSPO-NSHDSACASA-N -1 1 374.231 2.429 20 10 FECDMM COC(=O)/C(C)=C/CNC(=O)NCc1cccc(Br)c1[O-] ZINC000925019710 684516940 /nfs/dbraw/zinc/51/69/40/684516940.db2.gz RQIUZQDDNHYQGG-RMKNXTFCSA-N -1 1 357.204 2.073 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCC12OCCO2 ZINC000889523340 688785090 /nfs/dbraw/zinc/78/50/90/688785090.db2.gz HIVJGDKJYVKPIX-LBPRGKRZSA-N -1 1 371.231 2.250 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(CN2CCOCC2)cn1 ZINC000890759875 688962664 /nfs/dbraw/zinc/96/26/64/688962664.db2.gz TZZMVYAPPBPYDL-UHFFFAOYSA-N -1 1 361.829 2.203 20 10 FECDMM C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895323667 689695694 /nfs/dbraw/zinc/69/56/94/689695694.db2.gz FVMOOVCBGQKJPL-GWCFXTLKSA-N -1 1 350.640 2.126 20 10 FECDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1 ZINC000901703127 690681533 /nfs/dbraw/zinc/68/15/33/690681533.db2.gz BPSPCUXGBVEBBF-UHFFFAOYSA-N -1 1 353.396 2.227 20 10 FECDMM O=C(C1CC1)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc21 ZINC000901815341 690697110 /nfs/dbraw/zinc/69/71/10/690697110.db2.gz LTENOSWXONESDU-UHFFFAOYSA-N -1 1 358.419 2.492 20 10 FECDMM CCOC(=O)Cn1cnc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000905414699 691116167 /nfs/dbraw/zinc/11/61/67/691116167.db2.gz MKIIBUGRQXRNRG-UHFFFAOYSA-N -1 1 373.182 2.061 20 10 FECDMM COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427162 550031744 /nfs/dbraw/zinc/03/17/44/550031744.db2.gz BOUOPBXQBMAKJH-JSGCOSHPSA-N -1 1 366.433 2.097 20 10 FECDMM NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271208797 550352639 /nfs/dbraw/zinc/35/26/39/550352639.db2.gz XEHZLTWXPMTEGY-SECBINFHSA-N -1 1 353.271 2.200 20 10 FECDMM C[C@@H](C1CC1)n1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271305246 550362641 /nfs/dbraw/zinc/36/26/41/550362641.db2.gz RMMBMPXZJODVCE-JTQLQIEISA-N -1 1 364.427 2.184 20 10 FECDMM CC1CCN(C(=O)C2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)CC1 ZINC000276589661 550579453 /nfs/dbraw/zinc/57/94/53/550579453.db2.gz PVMNLGACNZDHTJ-UHFFFAOYSA-N -1 1 364.417 2.348 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000277011739 550621882 /nfs/dbraw/zinc/62/18/82/550621882.db2.gz ZUZCKUXPRHKUSY-UHFFFAOYSA-N -1 1 369.464 2.467 20 10 FECDMM O=C(NCCCO[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000277344394 550658934 /nfs/dbraw/zinc/65/89/34/550658934.db2.gz FZCBZZLBJBYIGK-GFCCVEGCSA-N -1 1 373.247 2.150 20 10 FECDMM COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133797 550752875 /nfs/dbraw/zinc/75/28/75/550752875.db2.gz CPNMZIZBOLWZHY-YGRLFVJLSA-N -1 1 364.320 2.444 20 10 FECDMM O=C(Nc1ccc(NC(=O)C2=S=CC=C2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000502355358 561616977 /nfs/dbraw/zinc/61/69/77/561616977.db2.gz TVUJCKWXDFKBON-UHFFFAOYSA-N -1 1 356.363 2.391 20 10 FECDMM CCn1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464366 556317252 /nfs/dbraw/zinc/31/72/52/556317252.db2.gz ACBUEZYZINVFSK-OAHLLOKOSA-N -1 1 362.861 2.699 20 10 FECDMM COc1c([O-])c(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000373206978 557649857 /nfs/dbraw/zinc/64/98/57/557649857.db2.gz OSJIVWGGZRCDQY-CQSZACIVSA-N -1 1 362.386 2.222 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000376147828 558133339 /nfs/dbraw/zinc/13/33/39/558133339.db2.gz DATGQPONTDLOKW-UHFFFAOYSA-N -1 1 362.407 2.341 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCC12OCCO2 ZINC000807416437 674415082 /nfs/dbraw/zinc/41/50/82/674415082.db2.gz GCPXQNMJLZEOOK-LLVKDONJSA-N -1 1 356.216 2.314 20 10 FECDMM CN(Cc1ccc(N2CCCCC2)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736819406 598338331 /nfs/dbraw/zinc/33/83/31/598338331.db2.gz LFVSFJBYKBBDQS-UHFFFAOYSA-N -1 1 350.430 2.283 20 10 FECDMM CN(Cc1ccc(N2CCCCC2)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736819406 598338333 /nfs/dbraw/zinc/33/83/33/598338333.db2.gz LFVSFJBYKBBDQS-UHFFFAOYSA-N -1 1 350.430 2.283 20 10 FECDMM C[C@@H]1CCCN1C(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828271806 601006314 /nfs/dbraw/zinc/00/63/14/601006314.db2.gz PVJHHZMPRSRNQS-GFCCVEGCSA-N -1 1 354.834 2.333 20 10 FECDMM C[C@@H]1CCCN1C(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828271806 601006318 /nfs/dbraw/zinc/00/63/18/601006318.db2.gz PVJHHZMPRSRNQS-GFCCVEGCSA-N -1 1 354.834 2.333 20 10 FECDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000833742578 605259300 /nfs/dbraw/zinc/25/93/00/605259300.db2.gz PPSVXBQKWGXSIY-OAHLLOKOSA-N -1 1 370.453 2.110 20 10 FECDMM O=C([O-])c1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1O ZINC000044242852 670188203 /nfs/dbraw/zinc/18/82/03/670188203.db2.gz NCGICPRWWSPFHF-UHFFFAOYSA-N -1 1 373.184 2.049 20 10 FECDMM CC(C)(C)c1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000730281502 673268632 /nfs/dbraw/zinc/26/86/32/673268632.db2.gz YYIGZMLRZRLTOL-UHFFFAOYSA-N -1 1 364.427 2.104 20 10 FECDMM CC(C)(C)Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000743635167 673766525 /nfs/dbraw/zinc/76/65/25/673766525.db2.gz PBSUOQNQOONQEA-UHFFFAOYSA-N -1 1 366.443 2.328 20 10 FECDMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825845860 675670927 /nfs/dbraw/zinc/67/09/27/675670927.db2.gz YZGHEFWADPBPTH-SNVBAGLBSA-N -1 1 354.378 2.366 20 10 FECDMM O=C(NCCOC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000764784519 680821097 /nfs/dbraw/zinc/82/10/97/680821097.db2.gz PXGLBQGCWDPBCG-LBPRGKRZSA-N -1 1 373.247 2.150 20 10 FECDMM O=C(CNC(=O)c1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765731541 680852806 /nfs/dbraw/zinc/85/28/06/680852806.db2.gz JMAKNKSXGADVRN-UHFFFAOYSA-N -1 1 369.240 2.262 20 10 FECDMM Cc1nn2cccnc2c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765755507 680854274 /nfs/dbraw/zinc/85/42/74/680854274.db2.gz JAMUESFRCUGRMB-UHFFFAOYSA-N -1 1 361.199 2.436 20 10 FECDMM C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766756 680854492 /nfs/dbraw/zinc/85/44/92/680854492.db2.gz BEABLFQBROIROQ-ZYHUDNBSSA-N -1 1 358.232 2.355 20 10 FECDMM C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766750 680854616 /nfs/dbraw/zinc/85/46/16/680854616.db2.gz BEABLFQBROIROQ-JQWIXIFHSA-N -1 1 358.232 2.355 20 10 FECDMM Cn1nnc2ccc(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000765766496 680854622 /nfs/dbraw/zinc/85/46/22/680854622.db2.gz YKGFYEZTKIKTOY-UHFFFAOYSA-N -1 1 361.199 2.366 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1[O-] ZINC000832550202 680147872 /nfs/dbraw/zinc/14/78/72/680147872.db2.gz MANFYVYTCIBBBE-CQSZACIVSA-N -1 1 353.850 2.484 20 10 FECDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000751414755 680172468 /nfs/dbraw/zinc/17/24/68/680172468.db2.gz DMPHEIBUVWAHDC-UHFFFAOYSA-N -1 1 372.786 2.441 20 10 FECDMM O=C([O-])CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000843042061 680984393 /nfs/dbraw/zinc/98/43/93/680984393.db2.gz YSAGYWSKUQEJLS-UHFFFAOYSA-N -1 1 358.778 2.410 20 10 FECDMM Cc1ccc2c(c1)OCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769913418 681000329 /nfs/dbraw/zinc/00/03/29/681000329.db2.gz QGNHMIKCTMENKZ-UHFFFAOYSA-N -1 1 362.407 2.111 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2cncn2C1 ZINC000844136432 681040915 /nfs/dbraw/zinc/04/09/15/681040915.db2.gz GRYIPSDXWCGVGA-LLVKDONJSA-N -1 1 350.216 2.230 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773082883 681124995 /nfs/dbraw/zinc/12/49/95/681124995.db2.gz BVHJYIDGUPIAJK-NSHDSACASA-N -1 1 352.412 2.172 20 10 FECDMM COC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)O1 ZINC000846059386 681177680 /nfs/dbraw/zinc/17/76/80/681177680.db2.gz ATOOLKUWCZBPJX-GWCFXTLKSA-N -1 1 358.232 2.225 20 10 FECDMM COC(=O)[C@@](C)(Cn1cccn1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000934716508 681614754 /nfs/dbraw/zinc/61/47/54/681614754.db2.gz ZWYHGOQGUSHHSY-QGZVFWFLSA-N -1 1 365.817 2.166 20 10 FECDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000783837859 682180564 /nfs/dbraw/zinc/18/05/64/682180564.db2.gz QIZRHYARIGKDPO-UHFFFAOYSA-N -1 1 367.427 2.361 20 10 FECDMM COc1cc(OC)c(CNC(=O)c2c(F)ccc(O)c2[O-])c(OC)c1 ZINC000790069126 682654244 /nfs/dbraw/zinc/65/42/44/682654244.db2.gz KILXNMSTZNSTLL-UHFFFAOYSA-N -1 1 351.330 2.193 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)ccc1F ZINC000797819349 683275976 /nfs/dbraw/zinc/27/59/76/683275976.db2.gz GSZTWRQKCTWYIU-UHFFFAOYSA-N -1 1 355.343 2.127 20 10 FECDMM CSc1nc(C)c(CCC(=O)NCc2c(O)cccc2F)c(=O)[n-]1 ZINC000928709600 683491695 /nfs/dbraw/zinc/49/16/95/683491695.db2.gz JWGJHSKXDPLEAH-UHFFFAOYSA-N -1 1 351.403 2.306 20 10 FECDMM Cc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000862760404 683630378 /nfs/dbraw/zinc/63/03/78/683630378.db2.gz RPFRBVBODDAJBH-UHFFFAOYSA-N -1 1 366.439 2.300 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cncc(-n2ccnn2)c1 ZINC000801964386 674157436 /nfs/dbraw/zinc/15/74/36/674157436.db2.gz BOWSWJDBLZCCDI-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1O ZINC000248414083 549432903 /nfs/dbraw/zinc/43/29/03/549432903.db2.gz MEWCJXNUXLFJOP-RHSMWYFYSA-N -1 1 355.438 2.442 20 10 FECDMM COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427161 550031758 /nfs/dbraw/zinc/03/17/58/550031758.db2.gz BOUOPBXQBMAKJH-GXTWGEPZSA-N -1 1 366.433 2.097 20 10 FECDMM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276647263 550581174 /nfs/dbraw/zinc/58/11/74/550581174.db2.gz VZCSZWFTUUFJJE-UHFFFAOYSA-N -1 1 374.368 2.433 20 10 FECDMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276710555 550587780 /nfs/dbraw/zinc/58/77/80/550587780.db2.gz REWIHSFMKKTMJF-HNNXBMFYSA-N -1 1 360.385 2.040 20 10 FECDMM Cc1nn(C)c(C)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277400238 550665742 /nfs/dbraw/zinc/66/57/42/550665742.db2.gz BHAXKAGKXSHYNA-UHFFFAOYSA-N -1 1 352.232 2.364 20 10 FECDMM COc1c(C(=O)NCc2cccc(Br)c2[O-])c(C)nn1C ZINC000277612218 550691874 /nfs/dbraw/zinc/69/18/74/550691874.db2.gz VIEPHHHUDHSZOE-UHFFFAOYSA-N -1 1 354.204 2.135 20 10 FECDMM COc1c([O-])c(CN[C@@H](C)c2noc(COC(C)C)n2)ccc1[N+](=O)[O-] ZINC000290986768 552572781 /nfs/dbraw/zinc/57/27/81/552572781.db2.gz UPZIFBQHPDXIQR-JTQLQIEISA-N -1 1 366.374 2.468 20 10 FECDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](Cn3cccn3)C2)c1O ZINC000740097723 600427073 /nfs/dbraw/zinc/42/70/73/600427073.db2.gz QJKPUGOLLXOOSD-HNNXBMFYSA-N -1 1 367.405 2.341 20 10 FECDMM CS(=O)(=O)C1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000832659496 602123342 /nfs/dbraw/zinc/12/33/42/602123342.db2.gz FUPULICGFUWITQ-UHFFFAOYSA-N -1 1 363.435 2.253 20 10 FECDMM CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)NC(=O)[O-])cc1 ZINC000828055031 603993573 /nfs/dbraw/zinc/99/35/73/603993573.db2.gz BUNFPYGQNVHTHZ-RHSMWYFYSA-N -1 1 371.441 2.021 20 10 FECDMM O=C(COC(=O)C1=CC(=O)CS1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000731909573 673347611 /nfs/dbraw/zinc/34/76/11/673347611.db2.gz FDSGKVMISCSSSU-UHFFFAOYSA-N -1 1 371.317 2.169 20 10 FECDMM CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000829464096 675879895 /nfs/dbraw/zinc/87/98/95/675879895.db2.gz UZCROHBOMITMOC-HNNXBMFYSA-N -1 1 352.383 2.438 20 10 FECDMM Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000765260863 680837335 /nfs/dbraw/zinc/83/73/35/680837335.db2.gz XAWULQQOUMVCBR-UHFFFAOYSA-N -1 1 352.188 2.175 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C1CN(CC(F)(F)F)C1 ZINC000765729217 680852870 /nfs/dbraw/zinc/85/28/70/680852870.db2.gz ZIENEECBTOHRDT-UHFFFAOYSA-N -1 1 367.165 2.265 20 10 FECDMM NC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748611 680853801 /nfs/dbraw/zinc/85/38/01/680853801.db2.gz XTPGPEFQLYBLFA-VHSXEESVSA-N -1 1 355.232 2.063 20 10 FECDMM COCCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765750472 680854029 /nfs/dbraw/zinc/85/40/29/680854029.db2.gz GYLSDPUPTHQYJS-UHFFFAOYSA-N -1 1 368.231 2.236 20 10 FECDMM CCOC(=O)c1ccc(NC(=S)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747654867 679894443 /nfs/dbraw/zinc/89/44/43/679894443.db2.gz SDVDPSDQHDXMCX-UHFFFAOYSA-N -1 1 361.427 2.284 20 10 FECDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1O ZINC000751308896 680167361 /nfs/dbraw/zinc/16/73/61/680167361.db2.gz FPKBTWDFSWJZLT-UHFFFAOYSA-N -1 1 372.786 2.441 20 10 FECDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc(O)cc1F)OCCO2 ZINC000758168755 680558751 /nfs/dbraw/zinc/55/87/51/680558751.db2.gz FNZIMHRRNXRWNH-UHFFFAOYSA-N -1 1 370.314 2.012 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(F)cc1F ZINC000758169806 680558994 /nfs/dbraw/zinc/55/89/94/680558994.db2.gz ZHGJTXXIIIZWEW-UHFFFAOYSA-N -1 1 361.297 2.397 20 10 FECDMM CN(C)c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758289013 680568218 /nfs/dbraw/zinc/56/82/18/680568218.db2.gz GHCIZYNVBUBPLQ-UHFFFAOYSA-N -1 1 366.424 2.371 20 10 FECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000766048780 680864488 /nfs/dbraw/zinc/86/44/88/680864488.db2.gz WDUWMXIEASQRPL-UHFFFAOYSA-N -1 1 353.327 2.233 20 10 FECDMM CCn1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])nc1C ZINC000766199824 680870030 /nfs/dbraw/zinc/87/00/30/680870030.db2.gz JLSPWVZZVJWXHD-UHFFFAOYSA-N -1 1 374.260 2.158 20 10 FECDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(OC)c1 ZINC000769683955 680991478 /nfs/dbraw/zinc/99/14/78/680991478.db2.gz JCTGTNASSMPDDW-UHFFFAOYSA-N -1 1 364.423 2.439 20 10 FECDMM O=C([O-])c1cnn2c1[nH]c(CN(CCC(F)(F)F)CC1CC1)cc2=O ZINC000846255405 681212473 /nfs/dbraw/zinc/21/24/73/681212473.db2.gz FQSUYRFBWSLFEU-UHFFFAOYSA-N -1 1 358.320 2.298 20 10 FECDMM O=C([O-])c1cc(NS(=O)(=O)c2c[nH]c3nccc(Cl)c32)ccc1O ZINC000776434664 681391549 /nfs/dbraw/zinc/39/15/49/681391549.db2.gz IXKGJBXLBKCWDG-UHFFFAOYSA-N -1 1 367.770 2.421 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)ccc1O ZINC000776748193 681433202 /nfs/dbraw/zinc/43/32/02/681433202.db2.gz ZFIYQIJERUANHO-UHFFFAOYSA-N -1 1 355.437 2.213 20 10 FECDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc(C(F)(F)F)n1 ZINC000784832129 682254926 /nfs/dbraw/zinc/25/49/26/682254926.db2.gz IFZUDHAOTXVTSD-UHFFFAOYSA-N -1 1 356.256 2.255 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccnn2C2CCCC2)C(=O)[N-]C1=S ZINC000920980384 683384723 /nfs/dbraw/zinc/38/47/23/683384723.db2.gz LSOPXCMWEOTMHF-UKTHLTGXSA-N -1 1 361.471 2.193 20 10 FECDMM CCc1nn(C)c(OC)c1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893984832 689443257 /nfs/dbraw/zinc/44/32/57/689443257.db2.gz ZNIZHJMMXQALHV-UHFFFAOYSA-N -1 1 352.822 2.350 20 10 FECDMM COC(=O)N1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894795408 689597414 /nfs/dbraw/zinc/59/74/14/689597414.db2.gz XSEXCSCUHGJETF-UHFFFAOYSA-N -1 1 355.822 2.323 20 10 FECDMM O=C1OCCN1[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895250616 689684658 /nfs/dbraw/zinc/68/46/58/689684658.db2.gz ASVIWGPPVGQXHE-NSHDSACASA-N -1 1 359.195 2.320 20 10 FECDMM CCCN(Cc1ccccc1O)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104880176 543148720 /nfs/dbraw/zinc/14/87/20/543148720.db2.gz MFQNOIZFYQHELQ-UHFFFAOYSA-N -1 1 368.437 2.326 20 10 FECDMM C[C@H](O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000804802565 674301556 /nfs/dbraw/zinc/30/15/56/674301556.db2.gz JAGCKSNXLXNZQG-VIFPVBQESA-N -1 1 368.386 2.208 20 10 FECDMM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)CC1 ZINC000275421945 550572185 /nfs/dbraw/zinc/57/21/85/550572185.db2.gz AFMKVEBBRUFLSV-UHFFFAOYSA-N -1 1 355.394 2.019 20 10 FECDMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276508239 550578713 /nfs/dbraw/zinc/57/87/13/550578713.db2.gz AUJPFFKGEKHSAS-SECBINFHSA-N -1 1 366.418 2.157 20 10 FECDMM CC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277493106 550677311 /nfs/dbraw/zinc/67/73/11/550677311.db2.gz JQPKJSYKDPUWSN-GFCCVEGCSA-N -1 1 355.232 2.029 20 10 FECDMM CCC(=O)N1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277404748 550666555 /nfs/dbraw/zinc/66/65/55/550666555.db2.gz BQXSAWWPAFZIAW-NSHDSACASA-N -1 1 355.232 2.029 20 10 FECDMM COC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278138176 550753368 /nfs/dbraw/zinc/75/33/68/550753368.db2.gz ALLQMXISRSOTIX-MRXNPFEDSA-N -1 1 372.377 2.409 20 10 FECDMM CCCOc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(O)c1 ZINC000367433144 556047253 /nfs/dbraw/zinc/04/72/53/556047253.db2.gz UBVMSSWUVMJGDK-LJQANCHMSA-N -1 1 362.470 2.394 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)[C@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000373206140 557649983 /nfs/dbraw/zinc/64/99/83/557649983.db2.gz SQALFTVXDSBPBG-MRXNPFEDSA-N -1 1 371.393 2.291 20 10 FECDMM C[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000820568908 605231151 /nfs/dbraw/zinc/23/11/51/605231151.db2.gz GPWSDCZSNYWAIY-UHFFFAOYSA-N -1 1 353.010 2.434 20 10 FECDMM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000833820508 605679029 /nfs/dbraw/zinc/67/90/29/605679029.db2.gz RVCHMZSEIZNTDK-SKDRFNHKSA-N -1 1 359.220 2.012 20 10 FECDMM O=C(COC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccc([O-])c(O)c1 ZINC000811370261 674598135 /nfs/dbraw/zinc/59/81/35/674598135.db2.gz IFKQRZGJWGGZMS-HNNXBMFYSA-N -1 1 354.717 2.350 20 10 FECDMM COc1ccc(-n2cnnc2SCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000728794828 673212103 /nfs/dbraw/zinc/21/21/03/673212103.db2.gz PAJLEMHZVWODOP-UHFFFAOYSA-N -1 1 358.379 2.057 20 10 FECDMM CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000822458550 675486079 /nfs/dbraw/zinc/48/60/79/675486079.db2.gz JHBPZZPHAMTIFW-LBPRGKRZSA-N -1 1 355.232 2.170 20 10 FECDMM C[C@](O)(C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1)C(F)(F)F ZINC000828647750 675835466 /nfs/dbraw/zinc/83/54/66/675835466.db2.gz IVYVUVHXHOLENJ-AWEZNQCLSA-N -1 1 351.296 2.402 20 10 FECDMM O=C(CNC(=O)NCc1cccc(Br)c1[O-])NC1CCCC1 ZINC000764771913 680820543 /nfs/dbraw/zinc/82/05/43/680820543.db2.gz ZHNCTPFVUAHEHC-UHFFFAOYSA-N -1 1 370.247 2.013 20 10 FECDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])c(=O)n(C)c1 ZINC000765315885 680839168 /nfs/dbraw/zinc/83/91/68/680839168.db2.gz DPYMFXYWOSYHIT-UHFFFAOYSA-N -1 1 366.215 2.484 20 10 FECDMM CS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765737256 680853363 /nfs/dbraw/zinc/85/33/63/680853363.db2.gz SNTLWTZQFKTBSP-UHFFFAOYSA-N -1 1 374.212 2.081 20 10 FECDMM CCc1n[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000765942408 680860396 /nfs/dbraw/zinc/86/03/96/680860396.db2.gz BHQPFCVUKKRHTP-UHFFFAOYSA-N -1 1 369.175 2.278 20 10 FECDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000747656600 679894601 /nfs/dbraw/zinc/89/46/01/679894601.db2.gz DBBTVNUSVAVAHK-UHFFFAOYSA-N -1 1 369.353 2.429 20 10 FECDMM O=S(=O)(NCc1cccc(Br)c1[O-])N1CCCCCC1 ZINC000766208306 680870354 /nfs/dbraw/zinc/87/03/54/680870354.db2.gz YCYBKYZZSIHCAU-UHFFFAOYSA-N -1 1 363.277 2.365 20 10 FECDMM COc1c([O-])c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000843412985 681002810 /nfs/dbraw/zinc/00/28/10/681002810.db2.gz CQWIOPCAWYGFDL-HZMBPMFUSA-N -1 1 364.320 2.444 20 10 FECDMM COc1c([O-])c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774907871 681249392 /nfs/dbraw/zinc/24/93/92/681249392.db2.gz HZBAEBMVVLXCAG-LDYMZIIASA-N -1 1 350.293 2.461 20 10 FECDMM COC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccs1 ZINC000775101977 681274567 /nfs/dbraw/zinc/27/45/67/681274567.db2.gz YRZGPCNWXHDVEK-GFCCVEGCSA-N -1 1 352.368 2.374 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1O ZINC000776748365 681433186 /nfs/dbraw/zinc/43/31/86/681433186.db2.gz DPHXQLJJVHMQTB-UHFFFAOYSA-N -1 1 359.400 2.044 20 10 FECDMM COC[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000852449362 682281013 /nfs/dbraw/zinc/28/10/13/682281013.db2.gz UEVCXYACJNOIQM-LLVKDONJSA-N -1 1 361.236 2.005 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](O)Cc1ccccc1 ZINC000793968088 682922002 /nfs/dbraw/zinc/92/20/02/682922002.db2.gz HWOFSLJOODTHNM-AWEZNQCLSA-N -1 1 350.212 2.375 20 10 FECDMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)sn1 ZINC000866605965 684125782 /nfs/dbraw/zinc/12/57/82/684125782.db2.gz QPLFEDITHMVVEH-ZDUSSCGKSA-N -1 1 367.496 2.328 20 10 FECDMM CN(C)C(=O)CN1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129385836 544109625 /nfs/dbraw/zinc/10/96/25/544109625.db2.gz TXEZIRKBYMGIJD-UHFFFAOYSA-N -1 1 360.285 2.295 20 10 FECDMM O=C(CCCNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2ccccc21 ZINC000276535031 550579171 /nfs/dbraw/zinc/57/91/71/550579171.db2.gz FODXUHRSONXEIA-UHFFFAOYSA-N -1 1 358.369 2.336 20 10 FECDMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276610187 550579285 /nfs/dbraw/zinc/57/92/85/550579285.db2.gz SISXPDIGTKDLBF-RYUDHWBXSA-N -1 1 352.406 2.394 20 10 FECDMM COCCn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000278107387 550749865 /nfs/dbraw/zinc/74/98/65/550749865.db2.gz QUJAITQIVOLKSD-UHFFFAOYSA-N -1 1 369.219 2.319 20 10 FECDMM COCCCn1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000529169602 562363076 /nfs/dbraw/zinc/36/30/76/562363076.db2.gz GNQVCKXFWYVEST-UHFFFAOYSA-N -1 1 368.231 2.318 20 10 FECDMM O=C(COCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000807416539 674415052 /nfs/dbraw/zinc/41/50/52/674415052.db2.gz IEXUMMYRAQGSCL-UHFFFAOYSA-N -1 1 351.200 2.383 20 10 FECDMM O=C(COCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000807416430 674414983 /nfs/dbraw/zinc/41/49/83/674414983.db2.gz FWNMRAVZVMFNJJ-UHFFFAOYSA-N -1 1 351.200 2.383 20 10 FECDMM CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000736943598 600213751 /nfs/dbraw/zinc/21/37/51/600213751.db2.gz PGZFJBVZBIELJI-ZQMJAJRESA-N -1 1 363.414 2.240 20 10 FECDMM CN(C)c1ccc([C@@H](CNC(=O)c2[nH]nc3c2CCCC3)NC(=O)[O-])cc1 ZINC000828063565 603030717 /nfs/dbraw/zinc/03/07/17/603030717.db2.gz GXVXZRZIROZWED-MRXNPFEDSA-N -1 1 371.441 2.093 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)c1O ZINC000833401652 605192826 /nfs/dbraw/zinc/19/28/26/605192826.db2.gz ZSQKCHSPQSJXSN-NSHDSACASA-N -1 1 354.834 2.229 20 10 FECDMM CO[C@](C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C1CC1 ZINC000810333535 674540692 /nfs/dbraw/zinc/54/06/92/674540692.db2.gz DOOUFAUPAZMPLU-HNNXBMFYSA-N -1 1 353.400 2.085 20 10 FECDMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(F)ccc1[O-] ZINC000094054437 670757405 /nfs/dbraw/zinc/75/74/05/670757405.db2.gz LRDFDRPHPBCUJR-UHFFFAOYSA-N -1 1 364.398 2.018 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3cccnc32)C(=O)[N-]C1=S ZINC000255435480 672890981 /nfs/dbraw/zinc/89/09/81/672890981.db2.gz WDHRTCLQSKRISV-UKTHLTGXSA-N -1 1 354.435 2.430 20 10 FECDMM CO[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000827523558 675762117 /nfs/dbraw/zinc/76/21/17/675762117.db2.gz ILCWKKWZCSXOAQ-GFCCVEGCSA-N -1 1 366.277 2.245 20 10 FECDMM CC(=O)N[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000830529358 677045252 /nfs/dbraw/zinc/04/52/52/677045252.db2.gz HTQKDJQQLJGKGO-CYBMUJFWSA-N -1 1 357.248 2.322 20 10 FECDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(F)cc1F ZINC000765061852 680829498 /nfs/dbraw/zinc/82/94/98/680829498.db2.gz ZETHBXUFWDMCLI-UHFFFAOYSA-N -1 1 368.321 2.260 20 10 FECDMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc([O-])c(F)c1 ZINC000767328020 680908042 /nfs/dbraw/zinc/90/80/42/680908042.db2.gz NDARWHVTACOWRP-UHFFFAOYSA-N -1 1 364.398 2.018 20 10 FECDMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776750370 681433118 /nfs/dbraw/zinc/43/31/18/681433118.db2.gz BMYUZOXBWGRDPP-UHFFFAOYSA-N -1 1 361.828 2.250 20 10 FECDMM O=C(COC(=O)c1cc(OCC(F)F)ccn1)c1ccc([O-])c(O)c1 ZINC000784581547 682239498 /nfs/dbraw/zinc/23/94/98/682239498.db2.gz DTQSJVKOBCUZCC-UHFFFAOYSA-N -1 1 353.277 2.176 20 10 FECDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])c2ncnn21 ZINC000852476520 682287649 /nfs/dbraw/zinc/28/76/49/682287649.db2.gz IZAFWUALYIGQDY-KCJUWKMLSA-N -1 1 366.219 2.251 20 10 FECDMM Cc1cncc(CCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000852607082 682308219 /nfs/dbraw/zinc/30/82/19/682308219.db2.gz VIRAGWSKZUARQA-UHFFFAOYSA-N -1 1 365.231 2.295 20 10 FECDMM O=C1[N-]C(=S)S/C1=C/c1ncc(I)s1 ZINC000794690027 682990046 /nfs/dbraw/zinc/99/00/46/682990046.db2.gz GQPBNLHVVIFDSU-HNQUOIGGSA-N -1 1 354.219 2.237 20 10 FECDMM COCCN1C(=O)C(=CNc2ccccc2C(C)(C)C)C(=O)[N-]C1=S ZINC000920975308 683384259 /nfs/dbraw/zinc/38/42/59/683384259.db2.gz CZHJOOALOIJROK-VAWYXSNFSA-N -1 1 361.467 2.170 20 10 FECDMM CCO[C@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000867831418 684403895 /nfs/dbraw/zinc/40/38/95/684403895.db2.gz YJXRBXPJPVGWLH-RISCZKNCSA-N -1 1 358.232 2.213 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nncn2CC1 ZINC000879774465 686906744 /nfs/dbraw/zinc/90/67/44/686906744.db2.gz IFUZIEHJMXBWIP-SNVBAGLBSA-N -1 1 365.231 2.015 20 10 FECDMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763505 688963206 /nfs/dbraw/zinc/96/32/06/688963206.db2.gz XFIKOLOMCUHPAC-OCCSQVGLSA-N -1 1 370.833 2.344 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000890763050 688963262 /nfs/dbraw/zinc/96/32/62/688963262.db2.gz NNUMHDZVRWNHFH-SNVBAGLBSA-N -1 1 364.751 2.463 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000892498095 689204056 /nfs/dbraw/zinc/20/40/56/689204056.db2.gz BFIOKWPDMUTWSQ-SNVBAGLBSA-N -1 1 351.756 2.481 20 10 FECDMM Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895275333 689689128 /nfs/dbraw/zinc/68/91/28/689689128.db2.gz XXBNZXIAIXZQBC-OCCSQVGLSA-N -1 1 364.833 2.499 20 10 FECDMM O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1cccc(Cl)c1[O-] ZINC000895864876 689784145 /nfs/dbraw/zinc/78/41/45/689784145.db2.gz QVCPPWGQJUSOJC-CYBMUJFWSA-N -1 1 366.849 2.135 20 10 FECDMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])CN1CCOCC1 ZINC000907758761 691554819 /nfs/dbraw/zinc/55/48/19/691554819.db2.gz UEZHIVAEYADVBB-FMIVXFBMSA-N -1 1 369.259 2.049 20 10 FECDMM COC(=O)C1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000908330470 691660911 /nfs/dbraw/zinc/66/09/11/691660911.db2.gz YMKMLXWASHMTSJ-UHFFFAOYSA-N -1 1 361.847 2.198 20 10 FECDMM CCCCn1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271216379 550354570 /nfs/dbraw/zinc/35/45/70/550354570.db2.gz BXSGACQTVMSWLD-UHFFFAOYSA-N -1 1 352.416 2.013 20 10 FECDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H]1OC ZINC000277481300 550675691 /nfs/dbraw/zinc/67/56/91/550675691.db2.gz PSJRQMOYPWXPGB-BZPMIXESSA-N -1 1 373.247 2.146 20 10 FECDMM C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000278044617 550742686 /nfs/dbraw/zinc/74/26/86/550742686.db2.gz WFFGNKFGSUAKAN-JTQLQIEISA-N -1 1 355.232 2.029 20 10 FECDMM CCCCN(Cc1ccccc1O)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000282461140 551232439 /nfs/dbraw/zinc/23/24/39/551232439.db2.gz JTJNDVKRVPVEGA-UHFFFAOYSA-N -1 1 366.439 2.336 20 10 FECDMM C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1c(O)cccc1Cl ZINC000293850500 552862263 /nfs/dbraw/zinc/86/22/63/552862263.db2.gz HSLDHFFBGMHYCR-UHFFFAOYSA-N -1 1 370.858 2.204 20 10 FECDMM O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1[O-] ZINC000296623467 553189329 /nfs/dbraw/zinc/18/93/29/553189329.db2.gz HGFSVJBDTRRYON-HNNXBMFYSA-N -1 1 374.412 2.258 20 10 FECDMM CO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000296965169 553236317 /nfs/dbraw/zinc/23/63/17/553236317.db2.gz YKRKVWGXDKLSRJ-MFKMUULPSA-N -1 1 358.232 2.213 20 10 FECDMM CNC(=O)CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000364172414 555262980 /nfs/dbraw/zinc/26/29/80/555262980.db2.gz QKRJFKIRHLWZEP-HNNXBMFYSA-N -1 1 367.877 2.043 20 10 FECDMM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000736774710 598987919 /nfs/dbraw/zinc/98/79/19/598987919.db2.gz YEOUKJMHBLMUDS-UHFFFAOYSA-N -1 1 363.425 2.133 20 10 FECDMM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000736774710 598987921 /nfs/dbraw/zinc/98/79/21/598987921.db2.gz YEOUKJMHBLMUDS-UHFFFAOYSA-N -1 1 363.425 2.133 20 10 FECDMM CC(C)S(=O)(=O)CCCN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000827066226 602236946 /nfs/dbraw/zinc/23/69/46/602236946.db2.gz KTWGPYFIBZFJAO-UHFFFAOYSA-N -1 1 363.863 2.146 20 10 FECDMM CC(C)S(=O)(=O)CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000827066226 602236948 /nfs/dbraw/zinc/23/69/48/602236948.db2.gz KTWGPYFIBZFJAO-UHFFFAOYSA-N -1 1 363.863 2.146 20 10 FECDMM CC(C)S(=O)(=O)CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000827066226 602236949 /nfs/dbraw/zinc/23/69/49/602236949.db2.gz KTWGPYFIBZFJAO-UHFFFAOYSA-N -1 1 363.863 2.146 20 10 FECDMM COc1c([O-])c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000809696708 674505775 /nfs/dbraw/zinc/50/57/75/674505775.db2.gz OZPCSCZPOKCHSM-LDYMZIIASA-N -1 1 350.293 2.461 20 10 FECDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000833742678 605110579 /nfs/dbraw/zinc/11/05/79/605110579.db2.gz SARNSSLMJXPIDK-OAHLLOKOSA-N -1 1 370.453 2.110 20 10 FECDMM C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000833820506 605679183 /nfs/dbraw/zinc/67/91/83/605679183.db2.gz RVCHMZSEIZNTDK-CABZTGNLSA-N -1 1 359.220 2.012 20 10 FECDMM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=CC3=S=C(c4nn[n-]n4)C=C3)nc2c1 ZINC000823643827 606390069 /nfs/dbraw/zinc/39/00/69/606390069.db2.gz CJFZVPGADJAKBE-TWGQIWQCSA-N -1 1 373.785 2.260 20 10 FECDMM C[C@](O)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)cc1 ZINC000815499479 674955082 /nfs/dbraw/zinc/95/50/82/674955082.db2.gz DFNDINBWMMOACJ-QGZVFWFLSA-N -1 1 350.754 2.385 20 10 FECDMM Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000743259504 673754059 /nfs/dbraw/zinc/75/40/59/673754059.db2.gz BHOPFUROQRSNHY-UHFFFAOYSA-N -1 1 374.415 2.012 20 10 FECDMM COc1c([O-])c(CN2CCO[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827786673 675778532 /nfs/dbraw/zinc/77/85/32/675778532.db2.gz KKOIABWGFINBNR-SNVBAGLBSA-N -1 1 350.293 2.462 20 10 FECDMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc4nonc43)cc2N1 ZINC000765048805 680828795 /nfs/dbraw/zinc/82/87/95/680828795.db2.gz KUYRXQVDWBASQM-UHFFFAOYSA-N -1 1 362.342 2.047 20 10 FECDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OC)c2O)c(F)c1 ZINC000751309468 680167373 /nfs/dbraw/zinc/16/73/73/680167373.db2.gz MJCGBHDOLSZSFX-UHFFFAOYSA-N -1 1 359.350 2.166 20 10 FECDMM C[C@@H](Cc1cnn(C)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000837581958 680622060 /nfs/dbraw/zinc/62/20/60/680622060.db2.gz KYQPZSKLMKGFQL-JTQLQIEISA-N -1 1 352.232 2.383 20 10 FECDMM CO[C@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CCOCC1 ZINC000842586277 680953536 /nfs/dbraw/zinc/95/35/36/680953536.db2.gz OXSQAHMWESIZEF-CQSZACIVSA-N -1 1 367.826 2.368 20 10 FECDMM Cc1c(Cl)cccc1NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769793741 680995296 /nfs/dbraw/zinc/99/52/96/680995296.db2.gz MZKIFBAWDBMQCG-UHFFFAOYSA-N -1 1 363.834 2.344 20 10 FECDMM CC[C@@H](C)n1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000775952209 681351869 /nfs/dbraw/zinc/35/18/69/681351869.db2.gz UEHDTCTYPBZUJX-SNVBAGLBSA-N -1 1 366.443 2.492 20 10 FECDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1O ZINC000782259104 682021897 /nfs/dbraw/zinc/02/18/97/682021897.db2.gz MYSPFSMJAYQPKR-UHFFFAOYSA-N -1 1 362.285 2.305 20 10 FECDMM O=C(COC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c(O)c1 ZINC000783161158 682119343 /nfs/dbraw/zinc/11/93/43/682119343.db2.gz WXQGCONTBKDXQM-NSHDSACASA-N -1 1 361.316 2.098 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000790416321 682675116 /nfs/dbraw/zinc/67/51/16/682675116.db2.gz UOGUKUQLTSBMPL-UHFFFAOYSA-N -1 1 367.448 2.085 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000792701867 682828603 /nfs/dbraw/zinc/82/86/03/682828603.db2.gz FADXODDQCCJKHK-UHFFFAOYSA-N -1 1 364.448 2.434 20 10 FECDMM COc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000857547278 682892373 /nfs/dbraw/zinc/89/23/73/682892373.db2.gz XGNGOODPMGLAQB-UHFFFAOYSA-N -1 1 350.396 2.049 20 10 FECDMM Cc1cn(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1C(F)(F)F ZINC000860335807 683232684 /nfs/dbraw/zinc/23/26/84/683232684.db2.gz UAZADXPIFQZPPX-UHFFFAOYSA-N -1 1 358.272 2.048 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793010 686463490 /nfs/dbraw/zinc/46/34/90/686463490.db2.gz LSVHQCLAHSJKFO-AAEUAGOBSA-N -1 1 374.300 2.330 20 10 FECDMM COCCOC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000895102268 689661734 /nfs/dbraw/zinc/66/17/34/689661734.db2.gz VILYFDOTTCEUAM-UHFFFAOYSA-N -1 1 372.849 2.057 20 10 FECDMM Cc1cnc(COCC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000803214393 674228449 /nfs/dbraw/zinc/22/84/49/674228449.db2.gz UJYMNVORGSHGAH-UHFFFAOYSA-N -1 1 355.188 2.284 20 10 FECDMM CC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000804275258 674279126 /nfs/dbraw/zinc/27/91/26/674279126.db2.gz PXMBSFBHBROHTL-UHFFFAOYSA-N -1 1 366.370 2.358 20 10 FECDMM CCOC(OCC)c1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1C ZINC000272190586 550427851 /nfs/dbraw/zinc/42/78/51/550427851.db2.gz FGJLGFVDWONPIL-UHFFFAOYSA-N -1 1 367.427 2.273 20 10 FECDMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276771192 550593946 /nfs/dbraw/zinc/59/39/46/550593946.db2.gz YHQGSQIVHQEYOG-LBPRGKRZSA-N -1 1 366.414 2.102 20 10 FECDMM CC(C)CCC(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277656517 550697220 /nfs/dbraw/zinc/69/72/20/550697220.db2.gz ZLSVYHLOODXNAZ-UHFFFAOYSA-N -1 1 357.248 2.323 20 10 FECDMM COC(=O)CSCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277541128 550682188 /nfs/dbraw/zinc/68/21/88/550682188.db2.gz NJKBTUBNSLQZDM-UHFFFAOYSA-N -1 1 362.245 2.067 20 10 FECDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000279680704 550916218 /nfs/dbraw/zinc/91/62/18/550916218.db2.gz GOSHHCSEICEIIN-STQMWFEESA-N -1 1 373.247 2.148 20 10 FECDMM CCn1cc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000286936680 551942432 /nfs/dbraw/zinc/94/24/32/551942432.db2.gz LORBAKLAKCPZOV-UHFFFAOYSA-N -1 1 353.220 2.371 20 10 FECDMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294834729 552937594 /nfs/dbraw/zinc/93/75/94/552937594.db2.gz DPRPCCSIFCWBTO-JTQLQIEISA-N -1 1 354.378 2.318 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000295186360 552967787 /nfs/dbraw/zinc/96/77/87/552967787.db2.gz UIOTVIWZAZLIRG-CYBMUJFWSA-N -1 1 353.390 2.427 20 10 FECDMM CN(C)c1ccc(C2=CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)C2)cc1 ZINC000376618560 558198622 /nfs/dbraw/zinc/19/86/22/558198622.db2.gz ORTIEXRIQWLFMB-NKFKGCMQSA-N -1 1 362.437 2.339 20 10 FECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000739794247 600315870 /nfs/dbraw/zinc/31/58/70/600315870.db2.gz XHZIPASUNSEZTQ-HNNXBMFYSA-N -1 1 365.813 2.372 20 10 FECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000739794247 600315874 /nfs/dbraw/zinc/31/58/74/600315874.db2.gz XHZIPASUNSEZTQ-HNNXBMFYSA-N -1 1 365.813 2.372 20 10 FECDMM CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)NC(=O)[O-])cc1 ZINC000828055033 603993797 /nfs/dbraw/zinc/99/37/97/603993797.db2.gz BUNFPYGQNVHTHZ-WMLDXEAASA-N -1 1 371.441 2.021 20 10 FECDMM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)NC(=O)[O-])cc1 ZINC000828055035 603993884 /nfs/dbraw/zinc/99/38/84/603993884.db2.gz BUNFPYGQNVHTHZ-YOEHRIQHSA-N -1 1 371.441 2.021 20 10 FECDMM O=C(COC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccc([O-])c(O)c1 ZINC000811297548 674593356 /nfs/dbraw/zinc/59/33/56/674593356.db2.gz NTFHXXOXNRTYCU-UHFFFAOYSA-N -1 1 359.359 2.182 20 10 FECDMM NS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816571622 675066118 /nfs/dbraw/zinc/06/61/18/675066118.db2.gz KTXUPYYOALHMMX-UHFFFAOYSA-N -1 1 356.806 2.395 20 10 FECDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000023397992 670048380 /nfs/dbraw/zinc/04/83/80/670048380.db2.gz XCRLDNSTAUSSRL-UHFFFAOYSA-N -1 1 362.379 2.137 20 10 FECDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2NC1=O ZINC000049659733 670278490 /nfs/dbraw/zinc/27/84/90/670278490.db2.gz JZXKAZTVXDBZQA-UHFFFAOYSA-N -1 1 360.391 2.446 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccc(F)c(F)c2F)C(=O)[N-]C1=S ZINC000255237884 672887020 /nfs/dbraw/zinc/88/70/20/672887020.db2.gz BFZRNSWERGCZCQ-VMPITWQZSA-N -1 1 357.357 2.299 20 10 FECDMM COCCOC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764796480 680821411 /nfs/dbraw/zinc/82/14/11/680821411.db2.gz DXLSZUSYBTVHHA-JTQLQIEISA-N -1 1 361.236 2.005 20 10 FECDMM C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727724 680852878 /nfs/dbraw/zinc/85/28/78/680852878.db2.gz ODAOMMRNYISKDJ-VIFPVBQESA-N -1 1 367.199 2.182 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000750036564 680097330 /nfs/dbraw/zinc/09/73/30/680097330.db2.gz RDMWFIDPNCILQP-CQSZACIVSA-N -1 1 374.890 2.152 20 10 FECDMM C[C@H]1CCCCN1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199574 680870024 /nfs/dbraw/zinc/87/00/24/680870024.db2.gz FDFJUBKCMYKBLS-JTQLQIEISA-N -1 1 363.277 2.364 20 10 FECDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C)C1CCOCC1 ZINC000842589552 680953884 /nfs/dbraw/zinc/95/38/84/680953884.db2.gz SRJAOHRQUKKFPE-QGZVFWFLSA-N -1 1 373.471 2.363 20 10 FECDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768845863 680961213 /nfs/dbraw/zinc/96/12/13/680961213.db2.gz HVNDFLZRDCCTFV-MRVPVSSYSA-N -1 1 358.397 2.410 20 10 FECDMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776751885 681433755 /nfs/dbraw/zinc/43/37/55/681433755.db2.gz WCDTYDFSKKFFAQ-UHFFFAOYSA-N -1 1 361.828 2.250 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000781909278 681987980 /nfs/dbraw/zinc/98/79/80/681987980.db2.gz IQQBOEIISRMCGN-GFCCVEGCSA-N -1 1 355.232 2.490 20 10 FECDMM CSc1ncc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000782232234 682019541 /nfs/dbraw/zinc/01/95/41/682019541.db2.gz LQJBYEYYWJDMLD-UHFFFAOYSA-N -1 1 354.771 2.303 20 10 FECDMM Cn1cc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782571149 682058897 /nfs/dbraw/zinc/05/88/97/682058897.db2.gz FMXBNGDOYVMPEM-UHFFFAOYSA-N -1 1 354.156 2.239 20 10 FECDMM O=C(COC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc([O-])c(O)c1 ZINC000782941040 682097501 /nfs/dbraw/zinc/09/75/01/682097501.db2.gz HKMSQWKBZLDNTC-UHFFFAOYSA-N -1 1 361.316 2.098 20 10 FECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nccn1C ZINC000852689139 682321020 /nfs/dbraw/zinc/32/10/20/682321020.db2.gz TUOVDEWEABNKSK-SECBINFHSA-N -1 1 353.220 2.449 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cncc3c2CCCC3)c1 ZINC000855201019 682638042 /nfs/dbraw/zinc/63/80/42/682638042.db2.gz JLKNFLOVKGJNQE-UHFFFAOYSA-N -1 1 361.423 2.290 20 10 FECDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000790416120 682675181 /nfs/dbraw/zinc/67/51/81/682675181.db2.gz RCMRBWUZFDPTJE-UHFFFAOYSA-N -1 1 351.380 2.468 20 10 FECDMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccccc2O)c(Br)n1C ZINC000867834731 684404715 /nfs/dbraw/zinc/40/47/15/684404715.db2.gz LDLBRUCUVKXXFP-MRVPVSSYSA-N -1 1 374.260 2.236 20 10 FECDMM CC[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369504 685204163 /nfs/dbraw/zinc/20/41/63/685204163.db2.gz TVXYTVYGIVZYTQ-UONOGXRCSA-N -1 1 354.834 2.237 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCN([S@@](C)(=N)=O)CC2)c1 ZINC000877793494 686463675 /nfs/dbraw/zinc/46/36/75/686463675.db2.gz YQUMJKOGKXIRND-HXUWFJFHSA-N -1 1 362.293 2.172 20 10 FECDMM O=C1CCCN1[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894544615 689551298 /nfs/dbraw/zinc/55/12/98/689551298.db2.gz HJOLSPKRKLTQEL-GFCCVEGCSA-N -1 1 357.223 2.491 20 10 FECDMM CC(=O)N1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000041419552 540020171 /nfs/dbraw/zinc/02/01/71/540020171.db2.gz FYEPOKOSOFMAJO-UHFFFAOYSA-N -1 1 373.478 2.464 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000055220604 540636668 /nfs/dbraw/zinc/63/66/68/540636668.db2.gz IYFSAQNGCVRADX-UHFFFAOYSA-N -1 1 353.425 2.350 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3noc(C)n3)CC2)c1[O-] ZINC000177164870 546559982 /nfs/dbraw/zinc/55/99/82/546559982.db2.gz UXLSWQZHMAIDAY-UHFFFAOYSA-N -1 1 364.833 2.257 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273968541 550517292 /nfs/dbraw/zinc/51/72/92/550517292.db2.gz JHQBUBUUNSJYFK-AWEZNQCLSA-N -1 1 351.834 2.284 20 10 FECDMM COc1c([O-])c(CN2CCN(c3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278171174 550756956 /nfs/dbraw/zinc/75/69/56/550756956.db2.gz FWWMWJYBZJZKET-UHFFFAOYSA-N -1 1 362.361 2.165 20 10 FECDMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000296723925 553203036 /nfs/dbraw/zinc/20/30/36/553203036.db2.gz NHFHIZFUTYWJOR-SNVBAGLBSA-N -1 1 354.378 2.366 20 10 FECDMM O=C1NCCN(Cc2cccc(F)c2[O-])[C@H]1Cc1nc2ccccc2o1 ZINC000368052457 556204470 /nfs/dbraw/zinc/20/44/70/556204470.db2.gz WCQCXZFHLORGBB-HNNXBMFYSA-N -1 1 355.369 2.216 20 10 FECDMM COc1c([O-])c(CN2CCOC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000373206975 557649861 /nfs/dbraw/zinc/64/98/61/557649861.db2.gz OSJIVWGGZRCDQY-AWEZNQCLSA-N -1 1 362.386 2.222 20 10 FECDMM COc1c([O-])c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000809696705 674505814 /nfs/dbraw/zinc/50/58/14/674505814.db2.gz OZPCSCZPOKCHSM-GZMMTYOYSA-N -1 1 350.293 2.461 20 10 FECDMM CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3ccccc32)NC(=O)[O-])cc1 ZINC000828064110 603032880 /nfs/dbraw/zinc/03/28/80/603032880.db2.gz LHEZBGQXAZDWDI-INIZCTEOSA-N -1 1 367.409 2.368 20 10 FECDMM COCC[C@H](COC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811955522 674642526 /nfs/dbraw/zinc/64/25/26/674642526.db2.gz ALYJQHLTGUDREO-LLVKDONJSA-N -1 1 361.236 2.005 20 10 FECDMM O=C1[N-]C(=S)NC(=O)C1=CNc1c(Cl)cc(Cl)cc1Cl ZINC000048403177 670261580 /nfs/dbraw/zinc/26/15/80/670261580.db2.gz LHENNXMQNXZSTL-UHFFFAOYSA-N -1 1 350.614 2.474 20 10 FECDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000184619029 672503178 /nfs/dbraw/zinc/50/31/78/672503178.db2.gz IOPKDKIJEZFJMT-UHFFFAOYSA-N -1 1 358.416 2.072 20 10 FECDMM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1 ZINC000738348303 673618173 /nfs/dbraw/zinc/61/81/73/673618173.db2.gz HOMZPSSZOIVRKI-SECBINFHSA-N -1 1 361.427 2.399 20 10 FECDMM CC1(C)Oc2ccsc2[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1O ZINC000839800619 680779921 /nfs/dbraw/zinc/77/99/21/680779921.db2.gz XQAOZLHDZLVZOW-RISCZKNCSA-N -1 1 353.371 2.301 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000765751905 680854060 /nfs/dbraw/zinc/85/40/60/680854060.db2.gz UMYAGPLUPBRFNF-UHFFFAOYSA-N -1 1 352.144 2.388 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nccn2C1 ZINC000765763607 680854466 /nfs/dbraw/zinc/85/44/66/680854466.db2.gz FGNHTMOUJWFYLX-LLVKDONJSA-N -1 1 350.216 2.230 20 10 FECDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc3c(c2)OCCCO3)n1 ZINC000747654995 679894471 /nfs/dbraw/zinc/89/44/71/679894471.db2.gz UURYQLRYMHKVGM-UHFFFAOYSA-N -1 1 361.427 2.268 20 10 FECDMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000771220511 681047421 /nfs/dbraw/zinc/04/74/21/681047421.db2.gz XJDZEDAVHNJGND-UHFFFAOYSA-N -1 1 351.380 2.137 20 10 FECDMM COc1c([O-])c(CNCc2n[nH]cc2Br)ccc1[N+](=O)[O-] ZINC000775022841 681268463 /nfs/dbraw/zinc/26/84/63/681268463.db2.gz HDXUEGPDHYDLJF-UHFFFAOYSA-N -1 1 357.164 2.084 20 10 FECDMM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Br)cc(F)c1[O-] ZINC000790738554 682698541 /nfs/dbraw/zinc/69/85/41/682698541.db2.gz HIWHVRDVOZAEML-MRVPVSSYSA-N -1 1 371.210 2.266 20 10 FECDMM CCOC(=O)[C@@]1(F)CN(C(=O)c2c(F)ccc(O)c2[O-])CC12CCC2 ZINC000857302016 682874454 /nfs/dbraw/zinc/87/44/54/682874454.db2.gz CYYWPOODDXCDEM-KRWDZBQOSA-N -1 1 355.337 2.134 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)ccc1C ZINC000797819319 683275588 /nfs/dbraw/zinc/27/55/88/683275588.db2.gz FSNUPGHDJBUZBW-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccc1O ZINC000797819550 683275630 /nfs/dbraw/zinc/27/56/30/683275630.db2.gz MCCRIQKJPWKBDD-UHFFFAOYSA-N -1 1 362.407 2.094 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)ccc1O ZINC000797820299 683276407 /nfs/dbraw/zinc/27/64/07/683276407.db2.gz PXNDTAVFWMXPKA-UHFFFAOYSA-N -1 1 350.396 2.468 20 10 FECDMM Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920974449 683383665 /nfs/dbraw/zinc/38/36/65/683383665.db2.gz LUVRNRCGADWBDE-KPKJPENVSA-N -1 1 362.411 2.098 20 10 FECDMM COCCN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)[N-]C1=S ZINC000920974208 683383793 /nfs/dbraw/zinc/38/37/93/683383793.db2.gz CVHHCARRALLZLO-RVDMUPIBSA-N -1 1 355.419 2.025 20 10 FECDMM CC(=O)N[C@H](CC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000861332646 683388984 /nfs/dbraw/zinc/38/89/84/683388984.db2.gz MBIVCZSTNHJLDS-CYBMUJFWSA-N -1 1 357.248 2.322 20 10 FECDMM CO[C@H](C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000867830892 684403457 /nfs/dbraw/zinc/40/34/57/684403457.db2.gz KTABJMCHNDJMQV-GFCCVEGCSA-N -1 1 374.231 2.128 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000890757724 688962686 /nfs/dbraw/zinc/96/26/86/688962686.db2.gz JMLVXCPTBIFUIR-CYBMUJFWSA-N -1 1 359.813 2.106 20 10 FECDMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757772 688962695 /nfs/dbraw/zinc/96/26/95/688962695.db2.gz LIGRPQNKKAXJCN-CQSZACIVSA-N -1 1 374.890 2.256 20 10 FECDMM Cc1oc(C(=O)NCc2cccc(Cl)c2[O-])cc1S(=O)(=O)N(C)C ZINC000890760278 688963037 /nfs/dbraw/zinc/96/30/37/688963037.db2.gz NFSLNISFISINFY-UHFFFAOYSA-N -1 1 372.830 2.127 20 10 FECDMM CCOC(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000891395713 689058098 /nfs/dbraw/zinc/05/80/98/689058098.db2.gz YFFIAGIPBKQWRK-UHFFFAOYSA-N -1 1 355.822 2.466 20 10 FECDMM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893011861 689281225 /nfs/dbraw/zinc/28/12/25/689281225.db2.gz YJIFCPDWEMMUMC-YPMHNXCESA-N -1 1 353.850 2.492 20 10 FECDMM CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)ccc3[O-])cc2)CC1 ZINC000190229480 548320000 /nfs/dbraw/zinc/32/00/00/548320000.db2.gz LADNHKKZXJODRK-UHFFFAOYSA-N -1 1 371.412 2.130 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)o1 ZINC000264668459 549999835 /nfs/dbraw/zinc/99/98/35/549999835.db2.gz ZUQBUVFRLKUKRY-UHFFFAOYSA-N -1 1 364.423 2.145 20 10 FECDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000274956693 550567502 /nfs/dbraw/zinc/56/75/02/550567502.db2.gz JWBWMWFLFRQIMR-AWEZNQCLSA-N -1 1 373.365 2.222 20 10 FECDMM O=C(NCCCO[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000277344398 550658827 /nfs/dbraw/zinc/65/88/27/550658827.db2.gz FZCBZZLBJBYIGK-LBPRGKRZSA-N -1 1 373.247 2.150 20 10 FECDMM Cn1cc(CCCNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277403570 550666177 /nfs/dbraw/zinc/66/61/77/550666177.db2.gz KAFSNDJAWWTUGI-UHFFFAOYSA-N -1 1 367.247 2.320 20 10 FECDMM O=S(=O)(C[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277546416 550682854 /nfs/dbraw/zinc/68/28/54/550682854.db2.gz XVJKMXMBCVZBLQ-LLVKDONJSA-N -1 1 364.261 2.143 20 10 FECDMM COCCOCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277799207 550715322 /nfs/dbraw/zinc/71/53/22/550715322.db2.gz UCEZJLDWXGEWRE-UHFFFAOYSA-N -1 1 361.236 2.007 20 10 FECDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000283105161 551312287 /nfs/dbraw/zinc/31/22/87/551312287.db2.gz PONXLGSBPUAXAH-UHFFFAOYSA-N -1 1 368.433 2.100 20 10 FECDMM COc1c([O-])c(CN2CCN(c3ccc(C)o3)C(=O)C2)ccc1[N+](=O)[O-] ZINC000365794451 555668782 /nfs/dbraw/zinc/66/87/82/555668782.db2.gz JGOHLRHWCUGXCJ-UHFFFAOYSA-N -1 1 361.354 2.059 20 10 FECDMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cccc2nsnc21 ZINC000556709095 568250257 /nfs/dbraw/zinc/25/02/57/568250257.db2.gz XYPFADJLUAUOQF-UHFFFAOYSA-N -1 1 358.408 2.277 20 10 FECDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cn1 ZINC000821565223 599311601 /nfs/dbraw/zinc/31/16/01/599311601.db2.gz JLMLZVJEAZZLCU-WZUFQYTHSA-N -1 1 373.423 2.082 20 10 FECDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cn1 ZINC000821565223 599311605 /nfs/dbraw/zinc/31/16/05/599311605.db2.gz JLMLZVJEAZZLCU-WZUFQYTHSA-N -1 1 373.423 2.082 20 10 FECDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc3nonc32)c1F ZINC000811726454 674623874 /nfs/dbraw/zinc/62/38/74/674623874.db2.gz VEWABWPWAZMSLS-UHFFFAOYSA-N -1 1 369.305 2.088 20 10 FECDMM Cc1sc(NC=C2C(=O)[N-]C(=S)NC2=O)nc1-c1ccc(F)cc1 ZINC000029002132 670094191 /nfs/dbraw/zinc/09/41/91/670094191.db2.gz FQQUWOJDZJBCPK-UHFFFAOYSA-N -1 1 362.411 2.084 20 10 FECDMM COCC(C)(C)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000822497470 675488543 /nfs/dbraw/zinc/48/85/43/675488543.db2.gz FDQKINSULNNUQV-UHFFFAOYSA-N -1 1 357.838 2.496 20 10 FECDMM CC(C)(C)N1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765737243 680853340 /nfs/dbraw/zinc/85/33/40/680853340.db2.gz SIAZVGSJWWSUFP-NSHDSACASA-N -1 1 369.259 2.418 20 10 FECDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000766047875 680864276 /nfs/dbraw/zinc/86/42/76/680864276.db2.gz MKNNOFAFTAVTGE-UHFFFAOYSA-N -1 1 362.407 2.378 20 10 FECDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169080 680558736 /nfs/dbraw/zinc/55/87/36/680558736.db2.gz MKBZBOVXHGIINJ-UHFFFAOYSA-N -1 1 370.314 2.027 20 10 FECDMM CN(CCN1CCCS1(=O)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769557706 680987092 /nfs/dbraw/zinc/98/70/92/680987092.db2.gz PKDAPSAHVFZDNM-UHFFFAOYSA-N -1 1 353.271 2.166 20 10 FECDMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(C(=O)OCC)c1 ZINC000844664111 681072814 /nfs/dbraw/zinc/07/28/14/681072814.db2.gz QMYLFAKVIXWIQP-CQSZACIVSA-N -1 1 373.427 2.042 20 10 FECDMM COC1(CS(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CCOCC1 ZINC000844664013 681072818 /nfs/dbraw/zinc/07/28/18/681072818.db2.gz OXBOQCUYSSJXGF-UHFFFAOYSA-N -1 1 353.799 2.122 20 10 FECDMM COc1ccc(F)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1OC ZINC000784894127 682258752 /nfs/dbraw/zinc/25/87/52/682258752.db2.gz DMHKPSVYHMPCMN-UHFFFAOYSA-N -1 1 350.298 2.294 20 10 FECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccnn1C ZINC000869179504 684590785 /nfs/dbraw/zinc/59/07/85/684590785.db2.gz FEIICVNBJMRREB-VIFPVBQESA-N -1 1 353.220 2.449 20 10 FECDMM COC(=O)C1=NO[C@]2(CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C2)C1 ZINC000879484053 686833411 /nfs/dbraw/zinc/83/34/11/686833411.db2.gz RAFSNPRFCDSADA-QGZVFWFLSA-N -1 1 366.801 2.142 20 10 FECDMM COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000880336394 687037565 /nfs/dbraw/zinc/03/75/65/687037565.db2.gz TXRJINVDCIXKJW-OAHLLOKOSA-N -1 1 355.818 2.306 20 10 FECDMM O=S(=O)(C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)N1CCCCC1 ZINC000897271736 689998058 /nfs/dbraw/zinc/99/80/58/689998058.db2.gz RWEIMGPXZNBYBS-UHFFFAOYSA-N -1 1 374.453 2.451 20 10 FECDMM COC(=O)N[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000277406616 550666684 /nfs/dbraw/zinc/66/66/84/550666684.db2.gz BTSASSVVYUGAIO-NSHDSACASA-N -1 1 359.220 2.152 20 10 FECDMM COc1c([O-])c(CN(C)Cc2nc([C@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000278204953 550760717 /nfs/dbraw/zinc/76/07/17/550760717.db2.gz JLNRRVQBPUTGRA-VIFPVBQESA-N -1 1 352.347 2.031 20 10 FECDMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1c(F)ccc(O)c1[O-] ZINC000294922185 552944409 /nfs/dbraw/zinc/94/44/09/552944409.db2.gz TWCAHCZHHCSVMZ-UHFFFAOYSA-N -1 1 358.369 2.289 20 10 FECDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cc1 ZINC000295687076 553044846 /nfs/dbraw/zinc/04/48/46/553044846.db2.gz LEJBDDGBRCWZNK-CQSZACIVSA-N -1 1 358.369 2.076 20 10 FECDMM COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000364053499 555241178 /nfs/dbraw/zinc/24/11/78/555241178.db2.gz VULCFGKACRTCGV-UHFFFAOYSA-N -1 1 372.381 2.057 20 10 FECDMM O=C(NCc1cc(Br)ccc1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000807740382 674426014 /nfs/dbraw/zinc/42/60/14/674426014.db2.gz USRBXYJSKUVAQV-UHFFFAOYSA-N -1 1 368.143 2.094 20 10 FECDMM CC[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000736943597 600213898 /nfs/dbraw/zinc/21/38/98/600213898.db2.gz PGZFJBVZBIELJI-ZKKXHLJNSA-N -1 1 363.414 2.240 20 10 FECDMM CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc32)NC(=O)[O-])cc1 ZINC000828064111 603032792 /nfs/dbraw/zinc/03/27/92/603032792.db2.gz LHEZBGQXAZDWDI-MRXNPFEDSA-N -1 1 367.409 2.368 20 10 FECDMM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=CC3=S=C(c4nn[n-]n4)C=C3)nc2c1 ZINC000823643825 606389775 /nfs/dbraw/zinc/38/97/75/606389775.db2.gz CJFZVPGADJAKBE-RMKNXTFCSA-N -1 1 373.785 2.260 20 10 FECDMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCOCC2)cc1 ZINC000826280491 608544155 /nfs/dbraw/zinc/54/41/55/608544155.db2.gz DEXPFHKYQGMUNQ-UHFFFAOYSA-N -1 1 351.414 2.019 20 10 FECDMM Cc1cc(C(F)(F)F)nn1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000811243983 674590451 /nfs/dbraw/zinc/59/04/51/674590451.db2.gz ASJPQVGRBBIHIW-UHFFFAOYSA-N -1 1 358.272 2.048 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1nnc2ccccc2n1 ZINC000811460098 674605717 /nfs/dbraw/zinc/60/57/17/674605717.db2.gz XJMSLWNDMYEWOM-UHFFFAOYSA-N -1 1 359.183 2.423 20 10 FECDMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cccc(Cl)c1[O-] ZINC000193500808 672726916 /nfs/dbraw/zinc/72/69/16/672726916.db2.gz TVVQCJBNTPJAIP-QGZVFWFLSA-N -1 1 359.813 2.382 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2ccccc2Cl)C(=O)[N-]C1=S ZINC000255542660 672892645 /nfs/dbraw/zinc/89/26/45/672892645.db2.gz MWRZSJXZAWUVGI-XYOKQWHBSA-N -1 1 351.859 2.213 20 10 FECDMM CCCCn1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000746301301 673871668 /nfs/dbraw/zinc/87/16/68/673871668.db2.gz LCQRTSSAQNVHRR-UHFFFAOYSA-N -1 1 366.443 2.321 20 10 FECDMM CCc1cccnc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000762112775 680741084 /nfs/dbraw/zinc/74/10/84/680741084.db2.gz DSQOGHFCUDAGHV-UHFFFAOYSA-N -1 1 360.395 2.438 20 10 FECDMM CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nn1 ZINC000764934221 680824798 /nfs/dbraw/zinc/82/47/98/680824798.db2.gz KHFQFWRIGCCJPS-UHFFFAOYSA-N -1 1 351.204 2.307 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCn2ccnc2C1 ZINC000765728288 680852795 /nfs/dbraw/zinc/85/27/95/680852795.db2.gz GEIRFILNLWUJOS-SNVBAGLBSA-N -1 1 350.216 2.230 20 10 FECDMM CC(=O)Nc1nc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765746043 680853831 /nfs/dbraw/zinc/85/38/31/680853831.db2.gz BZMFXTYXDYHCOW-UHFFFAOYSA-N -1 1 370.228 2.500 20 10 FECDMM C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765753095 680853965 /nfs/dbraw/zinc/85/39/65/680853965.db2.gz NJLTVGRZXZSVBG-VIFPVBQESA-N -1 1 367.199 2.182 20 10 FECDMM O=C(CNC(=O)CC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765766549 680854612 /nfs/dbraw/zinc/85/46/12/680854612.db2.gz YWGNPNBRSQRTEH-UHFFFAOYSA-N -1 1 369.259 2.467 20 10 FECDMM O=C1OCCN1c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753015145 680270778 /nfs/dbraw/zinc/27/07/78/680270778.db2.gz LDNMXUNJKZIWJJ-UHFFFAOYSA-N -1 1 370.333 2.428 20 10 FECDMM COCC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCC1 ZINC000834881478 680279731 /nfs/dbraw/zinc/27/97/31/680279731.db2.gz QCJVVOSWOGNMQN-UHFFFAOYSA-N -1 1 367.427 2.272 20 10 FECDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000760360582 680684172 /nfs/dbraw/zinc/68/41/72/680684172.db2.gz LZOJBQZOTMESSB-UHFFFAOYSA-N -1 1 355.437 2.295 20 10 FECDMM O=C1CNCCN1[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843064014 680985334 /nfs/dbraw/zinc/98/53/34/680985334.db2.gz DTOBHHJHYSEKAT-ZDUSSCGKSA-N -1 1 358.269 2.095 20 10 FECDMM COc1c([O-])c(CN[C@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775014821 681267762 /nfs/dbraw/zinc/26/77/62/681267762.db2.gz CSGVSWOQRXHDTD-GFCCVEGCSA-N -1 1 354.309 2.410 20 10 FECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000775286949 681292613 /nfs/dbraw/zinc/29/26/13/681292613.db2.gz RTTXXWOYUJLIGV-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000777586899 681506878 /nfs/dbraw/zinc/50/68/78/681506878.db2.gz DCLDKBSSKCIJGV-UHFFFAOYSA-N -1 1 370.314 2.272 20 10 FECDMM CC(C)(C)OC(=O)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CC1 ZINC000849953570 681827777 /nfs/dbraw/zinc/82/77/77/681827777.db2.gz KVWVGQRBPPYEQV-HNNXBMFYSA-N -1 1 350.367 2.192 20 10 FECDMM O=C(COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000783343718 682137197 /nfs/dbraw/zinc/13/71/97/682137197.db2.gz JGSBBZRPXGLYCN-UHFFFAOYSA-N -1 1 353.233 2.324 20 10 FECDMM CN1CCN(c2ccc(CNC(=O)c3s[n-]c(=O)c3Cl)cc2)CC1 ZINC000918852739 685542770 /nfs/dbraw/zinc/54/27/70/685542770.db2.gz XHSLIRIICUUEKL-UHFFFAOYSA-N -1 1 366.874 2.184 20 10 FECDMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789975626 682642704 /nfs/dbraw/zinc/64/27/04/682642704.db2.gz ANLFROVKBZSJDR-NSHDSACASA-N -1 1 364.760 2.426 20 10 FECDMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789984667 682643456 /nfs/dbraw/zinc/64/34/56/682643456.db2.gz WPMLHAYAGMBJIF-GFCCVEGCSA-N -1 1 364.760 2.426 20 10 FECDMM CCc1cc(O)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791152940 682725046 /nfs/dbraw/zinc/72/50/46/682725046.db2.gz BLYXRTHAQYOOEV-UHFFFAOYSA-N -1 1 350.396 2.284 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)cc1F ZINC000793349574 682883842 /nfs/dbraw/zinc/88/38/42/682883842.db2.gz RJFVVDFMNZXXBN-UHFFFAOYSA-N -1 1 367.354 2.450 20 10 FECDMM Cc1cc(CCNC(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000926377919 683117195 /nfs/dbraw/zinc/11/71/95/683117195.db2.gz MKTPGPNXMVGOHK-UHFFFAOYSA-N -1 1 367.247 2.239 20 10 FECDMM COCCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[N-]C1=S ZINC000920974526 683383435 /nfs/dbraw/zinc/38/34/35/683383435.db2.gz PAOTUSUYNCXIIS-VQHVLOKHSA-N -1 1 374.249 2.179 20 10 FECDMM COc1coc(C(=O)NCc2cccc(Br)c2[O-])cc1=O ZINC000799001516 683412044 /nfs/dbraw/zinc/41/20/44/683412044.db2.gz HTUHJNUVNNGYIL-UHFFFAOYSA-N -1 1 354.156 2.047 20 10 FECDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)sn1 ZINC000866533537 684116689 /nfs/dbraw/zinc/11/66/89/684116689.db2.gz ROSWZRQQWBVPAG-UHFFFAOYSA-N -1 1 369.537 2.483 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000868908185 684556820 /nfs/dbraw/zinc/55/68/20/684556820.db2.gz UNWJXTHXFYWGSF-QGJZQDQRSA-N -1 1 367.243 2.377 20 10 FECDMM COc1c([O-])c(CN2CCO[C@](C)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877716281 686444298 /nfs/dbraw/zinc/44/42/98/686444298.db2.gz WTWSPXWNAOEEFC-ZDUSSCGKSA-N -1 1 350.293 2.462 20 10 FECDMM Cc1nc(CN2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n[nH]1 ZINC000895266881 689687444 /nfs/dbraw/zinc/68/74/44/689687444.db2.gz OTBJAFOWRHGWJE-UHFFFAOYSA-N -1 1 356.257 2.443 20 10 FECDMM NC(=O)C(=O)Nc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000800892496 674085337 /nfs/dbraw/zinc/08/53/37/674085337.db2.gz DXARESVMVVEPNH-UHFFFAOYSA-N -1 1 364.199 2.191 20 10 FECDMM CC(=O)N1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000041419550 540020175 /nfs/dbraw/zinc/02/01/75/540020175.db2.gz XIBJIXVSFCGINO-UHFFFAOYSA-N -1 1 359.451 2.156 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273968543 550517404 /nfs/dbraw/zinc/51/74/04/550517404.db2.gz JHQBUBUUNSJYFK-CQSZACIVSA-N -1 1 351.834 2.284 20 10 FECDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(CCN2CCOCC2)c1 ZINC000293663937 552845238 /nfs/dbraw/zinc/84/52/38/552845238.db2.gz PTFUHPHHWBPEPP-UHFFFAOYSA-N -1 1 354.813 2.326 20 10 FECDMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294834734 552937592 /nfs/dbraw/zinc/93/75/92/552937592.db2.gz DPRPCCSIFCWBTO-SNVBAGLBSA-N -1 1 354.378 2.318 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000528776042 562346922 /nfs/dbraw/zinc/34/69/22/562346922.db2.gz BIDOHICJSQTZHS-KGLIPLIRSA-N -1 1 357.859 2.400 20 10 FECDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])sn1 ZINC000807058916 674403156 /nfs/dbraw/zinc/40/31/56/674403156.db2.gz UUHAVMKJCWIGDR-UHFFFAOYSA-N -1 1 370.228 2.175 20 10 FECDMM O=C([O-])C[N@H+](CCC(=O)N1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783866 600314624 /nfs/dbraw/zinc/31/46/24/600314624.db2.gz RSGXCZYRNYQLGN-UHFFFAOYSA-N -1 1 354.834 2.335 20 10 FECDMM O=C([O-])C[N@@H+](CCC(=O)N1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783866 600314627 /nfs/dbraw/zinc/31/46/27/600314627.db2.gz RSGXCZYRNYQLGN-UHFFFAOYSA-N -1 1 354.834 2.335 20 10 FECDMM C[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-] ZINC000828455746 601816601 /nfs/dbraw/zinc/81/66/01/601816601.db2.gz FWIJIJQUDNNNGM-WFASDCNBSA-N -1 1 355.390 2.481 20 10 FECDMM CN1CCCc2cc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000821625143 606539180 /nfs/dbraw/zinc/53/91/80/606539180.db2.gz GLOGPWMPZPTBLB-UHFFFAOYSA-N -1 1 354.439 2.241 20 10 FECDMM CN1CCCc2cc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000821625143 606539182 /nfs/dbraw/zinc/53/91/82/606539182.db2.gz GLOGPWMPZPTBLB-UHFFFAOYSA-N -1 1 354.439 2.241 20 10 FECDMM COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)c2c1 ZINC000826212653 607989165 /nfs/dbraw/zinc/98/91/65/607989165.db2.gz WWYOJTODRCRIJG-UHFFFAOYSA-N -1 1 374.408 2.440 20 10 FECDMM COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)c2c1 ZINC000826212653 607989166 /nfs/dbraw/zinc/98/91/66/607989166.db2.gz WWYOJTODRCRIJG-UHFFFAOYSA-N -1 1 374.408 2.440 20 10 FECDMM C[C@@H](Cc1ccc(O)c(O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824456923 609417590 /nfs/dbraw/zinc/41/75/90/609417590.db2.gz ASKVLHSKLLIPLY-LURJTMIESA-N -1 1 352.807 2.431 20 10 FECDMM C[C@@H](Cc1ccc(O)c(O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824456923 609417592 /nfs/dbraw/zinc/41/75/92/609417592.db2.gz ASKVLHSKLLIPLY-LURJTMIESA-N -1 1 352.807 2.431 20 10 FECDMM Cc1nc2cc(NC=C3C(=O)[N-]C(=S)N(CC(C)C)C3=O)ccc2o1 ZINC000060865625 670390501 /nfs/dbraw/zinc/39/05/01/670390501.db2.gz ZYKYJSUKPHWRMN-GHXNOFRVSA-N -1 1 358.423 2.331 20 10 FECDMM NC(=O)C1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000740609848 673649820 /nfs/dbraw/zinc/64/98/20/673649820.db2.gz NGKBEGSVYNPEQI-UHFFFAOYSA-N -1 1 359.451 2.189 20 10 FECDMM O=C1[N-]C(=S)S/C1=C/c1c(Br)n[nH]c1Br ZINC000821022808 675407783 /nfs/dbraw/zinc/40/77/83/675407783.db2.gz VBDBCLZZVJHDPA-HNQUOIGGSA-N -1 1 369.063 2.424 20 10 FECDMM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825818829 675670056 /nfs/dbraw/zinc/67/00/56/675670056.db2.gz JXNCBKGHOZQEQJ-LLVKDONJSA-N -1 1 352.406 2.251 20 10 FECDMM C[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])[S@@](C)=O ZINC000764801903 680821543 /nfs/dbraw/zinc/82/15/43/680821543.db2.gz VWLHBDGEKDTALX-GWNMQOMSSA-N -1 1 363.277 2.111 20 10 FECDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)c(F)cc1F ZINC000765035337 680828287 /nfs/dbraw/zinc/82/82/87/680828287.db2.gz GRNZUJNPWUHPMH-UHFFFAOYSA-N -1 1 369.305 2.088 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cncn2)nc1 ZINC000765730952 680852756 /nfs/dbraw/zinc/85/27/56/680852756.db2.gz DRMQFWOGOHOIOZ-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727723 680852816 /nfs/dbraw/zinc/85/28/16/680852816.db2.gz ODAOMMRNYISKDJ-SECBINFHSA-N -1 1 367.199 2.182 20 10 FECDMM CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765769463 680854607 /nfs/dbraw/zinc/85/46/07/680854607.db2.gz MBIVCZSTNHJLDS-ZDUSSCGKSA-N -1 1 357.248 2.322 20 10 FECDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768845867 680961142 /nfs/dbraw/zinc/96/11/42/680961142.db2.gz HVNDFLZRDCCTFV-QMMMGPOBSA-N -1 1 358.397 2.410 20 10 FECDMM CCc1nc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000779310055 681701520 /nfs/dbraw/zinc/70/15/20/681701520.db2.gz NZNXHENNZFJBDT-UHFFFAOYSA-N -1 1 355.441 2.343 20 10 FECDMM CCc1[nH]nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC000789139991 682580639 /nfs/dbraw/zinc/58/06/39/682580639.db2.gz SXXZSWUDRUPYIT-UHFFFAOYSA-N -1 1 369.171 2.186 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc(F)c1F ZINC000797819376 683275903 /nfs/dbraw/zinc/27/59/03/683275903.db2.gz HNIHAYGVKOEIJH-UHFFFAOYSA-N -1 1 373.333 2.266 20 10 FECDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797819569 683275915 /nfs/dbraw/zinc/27/59/15/683275915.db2.gz MTJCHDVKRHZPKD-YHYXMXQVSA-N -1 1 363.391 2.388 20 10 FECDMM O=C(c1cccc(O)c1O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161906 684688876 /nfs/dbraw/zinc/68/88/76/684688876.db2.gz BTEGFYGVMUVWOU-UHFFFAOYSA-N -1 1 362.813 2.415 20 10 FECDMM O=C([O-])CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368801 685204273 /nfs/dbraw/zinc/20/42/73/685204273.db2.gz GZXRPNAOCOHMBX-CQSZACIVSA-N -1 1 354.834 2.381 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000890758419 688962690 /nfs/dbraw/zinc/96/26/90/688962690.db2.gz XIQCPPWLCPGSJA-SECBINFHSA-N -1 1 350.724 2.073 20 10 FECDMM O=C(NCCC1N=NC(=S)N1C1CC1)NCc1cccc(Cl)c1[O-] ZINC000895675914 689753325 /nfs/dbraw/zinc/75/33/25/689753325.db2.gz HXTDDNJFDHDYQL-UHFFFAOYSA-N -1 1 367.862 2.303 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000896299899 689851520 /nfs/dbraw/zinc/85/15/20/689851520.db2.gz NARKKEWCIGIGTR-VGPLMAKISA-N -1 1 372.874 2.201 20 10 FECDMM COC(=O)c1cnc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)s1 ZINC000900703064 690550280 /nfs/dbraw/zinc/55/02/80/690550280.db2.gz FCFXZTCQHALQEO-QMMMGPOBSA-N -1 1 366.370 2.110 20 10 FECDMM Cn1nc2c(c1S(=O)(=O)NCc1cccc(Cl)c1[O-])CCCC2 ZINC000908328530 691660467 /nfs/dbraw/zinc/66/04/67/691660467.db2.gz NMFHFPUACYXRJS-UHFFFAOYSA-N -1 1 355.847 2.136 20 10 FECDMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1Cl ZINC000030418922 539881573 /nfs/dbraw/zinc/88/15/73/539881573.db2.gz IBPUWZICWMNJAC-UHFFFAOYSA-N -1 1 354.863 2.152 20 10 FECDMM O=C(NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)C1CC1 ZINC000179911779 547028324 /nfs/dbraw/zinc/02/83/24/547028324.db2.gz FBFUBOSYNNLFQR-UHFFFAOYSA-N -1 1 353.806 2.444 20 10 FECDMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276771188 550593875 /nfs/dbraw/zinc/59/38/75/550593875.db2.gz YHQGSQIVHQEYOG-GFCCVEGCSA-N -1 1 366.414 2.102 20 10 FECDMM Cc1csc(=O)n1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277593760 550689108 /nfs/dbraw/zinc/68/91/08/550689108.db2.gz SRQWOKCTBDDHOS-UHFFFAOYSA-N -1 1 371.256 2.393 20 10 FECDMM CC(C)(C)C(=O)NCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277637877 550695329 /nfs/dbraw/zinc/69/53/29/550695329.db2.gz XTDYZWCGKFBUOE-UHFFFAOYSA-N -1 1 357.248 2.323 20 10 FECDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000279680701 550916106 /nfs/dbraw/zinc/91/61/06/550916106.db2.gz GOSHHCSEICEIIN-OLZOCXBDSA-N -1 1 373.247 2.148 20 10 FECDMM CCn1cnc2c(c1=O)CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000286078688 551846179 /nfs/dbraw/zinc/84/61/79/551846179.db2.gz KAJNGLXFSVHQEB-UHFFFAOYSA-N -1 1 361.829 2.383 20 10 FECDMM CCn1nc2c(cc1=O)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000371867051 557315110 /nfs/dbraw/zinc/31/51/10/557315110.db2.gz VTLIJVSDIHJVTL-UHFFFAOYSA-N -1 1 361.829 2.383 20 10 FECDMM OCC1CCN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)CC1 ZINC000738395212 599413037 /nfs/dbraw/zinc/41/30/37/599413037.db2.gz XATBRJYGIDTCBN-UHFFFAOYSA-N -1 1 365.441 2.083 20 10 FECDMM OCC1CCN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000738395212 599413038 /nfs/dbraw/zinc/41/30/38/599413038.db2.gz XATBRJYGIDTCBN-UHFFFAOYSA-N -1 1 365.441 2.083 20 10 FECDMM O=C([O-])C[N@H+](CCC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739784530 600145007 /nfs/dbraw/zinc/14/50/07/600145007.db2.gz DWYUWUPVFXZLBP-UHFFFAOYSA-N -1 1 354.834 2.381 20 10 FECDMM O=C([O-])C[N@@H+](CCC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739784530 600145008 /nfs/dbraw/zinc/14/50/08/600145008.db2.gz DWYUWUPVFXZLBP-UHFFFAOYSA-N -1 1 354.834 2.381 20 10 FECDMM CN(C)c1ccc([C@H](CNC(=O)c2[nH]nc3c2CCCC3)NC(=O)[O-])cc1 ZINC000828063564 603030875 /nfs/dbraw/zinc/03/08/75/603030875.db2.gz GXVXZRZIROZWED-INIZCTEOSA-N -1 1 371.441 2.093 20 10 FECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000055639154 670353269 /nfs/dbraw/zinc/35/32/69/670353269.db2.gz RCCPARIONQXPLH-UHFFFAOYSA-N -1 1 358.416 2.388 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000725903531 673096541 /nfs/dbraw/zinc/09/65/41/673096541.db2.gz JKSHAXJQGXULNC-UHFFFAOYSA-N -1 1 362.407 2.341 20 10 FECDMM CCOC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C(F)(F)F ZINC000827006841 675722808 /nfs/dbraw/zinc/72/28/08/675722808.db2.gz VJKZCISABVZVAI-SNVBAGLBSA-N -1 1 366.292 2.283 20 10 FECDMM O=C(NCCOc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000764784515 680821049 /nfs/dbraw/zinc/82/10/49/680821049.db2.gz PVEKQZBBMDGXFM-UHFFFAOYSA-N -1 1 366.215 2.428 20 10 FECDMM CCn1ccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000840404188 680821170 /nfs/dbraw/zinc/82/11/70/680821170.db2.gz XYNDPKPHDCOMDP-UHFFFAOYSA-N -1 1 353.220 2.371 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000764799109 680821239 /nfs/dbraw/zinc/82/12/39/680821239.db2.gz ZKHRIMXVSRMUPI-NSHDSACASA-N -1 1 365.231 2.235 20 10 FECDMM Cc1occc1C(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765766473 680854625 /nfs/dbraw/zinc/85/46/25/680854625.db2.gz XJVMHXBIZBWCLT-UHFFFAOYSA-N -1 1 367.199 2.102 20 10 FECDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000751419588 680172839 /nfs/dbraw/zinc/17/28/39/680172839.db2.gz WGGFITZEPMSSOR-UHFFFAOYSA-N -1 1 359.350 2.166 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCc2nn[nH]c21 ZINC000834476212 680232167 /nfs/dbraw/zinc/23/21/67/680232167.db2.gz RKGFZGARJRRTHB-SECBINFHSA-N -1 1 351.204 2.009 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(COc3ccccc3)no2)c1 ZINC000758271682 680567370 /nfs/dbraw/zinc/56/73/70/680567370.db2.gz DFSDUNDNQJGTKM-UHFFFAOYSA-N -1 1 361.379 2.393 20 10 FECDMM CC(=O)NC[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC(C)C ZINC000838001285 680667686 /nfs/dbraw/zinc/66/76/86/680667686.db2.gz ITZLSUNIAKVZHJ-ZDUSSCGKSA-N -1 1 351.399 2.012 20 10 FECDMM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000841571639 680900542 /nfs/dbraw/zinc/90/05/42/680900542.db2.gz ZRZBZPIXNCCSSF-GFCCVEGCSA-N -1 1 370.906 2.357 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2cncn2C1 ZINC000844136434 681040729 /nfs/dbraw/zinc/04/07/29/681040729.db2.gz GRYIPSDXWCGVGA-NSHDSACASA-N -1 1 350.216 2.230 20 10 FECDMM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC000775633882 681320330 /nfs/dbraw/zinc/32/03/30/681320330.db2.gz MNQUNYMRQMCNEX-UHFFFAOYSA-N -1 1 356.806 2.395 20 10 FECDMM CC(=O)N[C@@](C)(C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000935662252 681796480 /nfs/dbraw/zinc/79/64/80/681796480.db2.gz CODTUJNQNXUVGH-OAHLLOKOSA-N -1 1 357.248 2.322 20 10 FECDMM CNS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000783639140 682161127 /nfs/dbraw/zinc/16/11/27/682161127.db2.gz MMZOEKSKSYZOQB-UHFFFAOYSA-N -1 1 372.244 2.070 20 10 FECDMM Cc1nn(CC(F)F)c(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784712707 682247997 /nfs/dbraw/zinc/24/79/97/682247997.db2.gz NUYKBBOONQJXBE-UHFFFAOYSA-N -1 1 354.309 2.216 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000792702657 682828940 /nfs/dbraw/zinc/82/89/40/682828940.db2.gz CJBDEGDZJYNOAY-UHFFFAOYSA-N -1 1 352.437 2.322 20 10 FECDMM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000857303999 682874676 /nfs/dbraw/zinc/87/46/76/682874676.db2.gz RVZDQTAGMASSDC-SFYZADRCSA-N -1 1 365.279 2.051 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797820309 683276422 /nfs/dbraw/zinc/27/64/22/683276422.db2.gz QNABOZBYJXXEBE-UHFFFAOYSA-N -1 1 351.380 2.378 20 10 FECDMM CC(C)CN1C(=O)C(=CN[C@H](C)CCc2ccccc2)C(=O)[N-]C1=S ZINC000920976583 683384370 /nfs/dbraw/zinc/38/43/70/683384370.db2.gz XZKBMUWCKJGUEF-DSQDWWTGSA-N -1 1 359.495 2.381 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793011 686463654 /nfs/dbraw/zinc/46/36/54/686463654.db2.gz LSVHQCLAHSJKFO-DGCLKSJQSA-N -1 1 374.300 2.330 20 10 FECDMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759953 688963271 /nfs/dbraw/zinc/96/32/71/688963271.db2.gz XBPQYTPIXVQEHX-CYBMUJFWSA-N -1 1 370.833 2.298 20 10 FECDMM CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895332500 689697844 /nfs/dbraw/zinc/69/78/44/689697844.db2.gz KOSBMXWRDYWADH-GFCCVEGCSA-N -1 1 374.254 2.482 20 10 FECDMM CCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000801584200 674138520 /nfs/dbraw/zinc/13/85/20/674138520.db2.gz DAYGUPVJZWTBGI-AWEZNQCLSA-N -1 1 352.818 2.218 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000177153726 546556877 /nfs/dbraw/zinc/55/68/77/546556877.db2.gz UJNDMXMMIHOZKE-AWEZNQCLSA-N -1 1 357.859 2.400 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(C)c(C)c1O ZINC000187062113 548249576 /nfs/dbraw/zinc/24/95/76/548249576.db2.gz WSQNLDNEITWIGD-UHFFFAOYSA-N -1 1 360.435 2.404 20 10 FECDMM COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427164 550031521 /nfs/dbraw/zinc/03/15/21/550031521.db2.gz BOUOPBXQBMAKJH-TZMCWYRMSA-N -1 1 366.433 2.097 20 10 FECDMM O=C(CC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)N1CCCC1 ZINC000276676762 550584064 /nfs/dbraw/zinc/58/40/64/550584064.db2.gz ZZFUIXDMOJFBSQ-UHFFFAOYSA-N -1 1 350.390 2.102 20 10 FECDMM Cc1c(CNC(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC000277312304 550655340 /nfs/dbraw/zinc/65/53/40/550655340.db2.gz CYHLXVFMUMHMET-UHFFFAOYSA-N -1 1 353.220 2.196 20 10 FECDMM CC1CCN(C(=O)C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277890672 550726112 /nfs/dbraw/zinc/72/61/12/550726112.db2.gz FOJZLNOYDVDIFP-UHFFFAOYSA-N -1 1 355.232 2.029 20 10 FECDMM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278138172 550753401 /nfs/dbraw/zinc/75/34/01/550753401.db2.gz ALLQMXISRSOTIX-INIZCTEOSA-N -1 1 372.377 2.409 20 10 FECDMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000294854429 552939036 /nfs/dbraw/zinc/93/90/36/552939036.db2.gz NSFUKZNSDHTNNJ-OAHLLOKOSA-N -1 1 374.368 2.284 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000295186363 552967822 /nfs/dbraw/zinc/96/78/22/552967822.db2.gz UIOTVIWZAZLIRG-ZDUSSCGKSA-N -1 1 353.390 2.427 20 10 FECDMM CN(C)c1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000364681781 555373236 /nfs/dbraw/zinc/37/32/36/555373236.db2.gz KNZXLXSJWNGRJP-UHFFFAOYSA-N -1 1 354.366 2.301 20 10 FECDMM CN(C)c1ccc(C2=CCN(C(=O)c3c[n-]c4c(cnn4C)c3=O)C2)cc1 ZINC000367983449 556187687 /nfs/dbraw/zinc/18/76/87/556187687.db2.gz JHANYHHIEKROBY-UHFFFAOYSA-N -1 1 363.421 2.279 20 10 FECDMM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000371535234 557213362 /nfs/dbraw/zinc/21/33/62/557213362.db2.gz BVQOSFIRLYIYSM-UKRRQHHQSA-N -1 1 355.818 2.401 20 10 FECDMM CCOCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000737177584 600214400 /nfs/dbraw/zinc/21/44/00/600214400.db2.gz QYXACGFCOQUOTL-VSKVDJIOSA-N -1 1 363.414 2.240 20 10 FECDMM COC(=O)C1=C(C)O[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000833701955 605364813 /nfs/dbraw/zinc/36/48/13/605364813.db2.gz KNZGXODOHDAMFU-CYBMUJFWSA-N -1 1 369.801 2.168 20 10 FECDMM COC(=O)C1=C(C)O[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000833701955 605364822 /nfs/dbraw/zinc/36/48/22/605364822.db2.gz KNZGXODOHDAMFU-CYBMUJFWSA-N -1 1 369.801 2.168 20 10 FECDMM CN(CC(N)=O)C(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816603212 675067806 /nfs/dbraw/zinc/06/78/06/675067806.db2.gz CGRFTFAKODADTF-UHFFFAOYSA-N -1 1 365.792 2.354 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c2cccc3F)c1 ZINC000184298774 672496806 /nfs/dbraw/zinc/49/68/06/672496806.db2.gz ZUWOVHYNLXEHKT-UHFFFAOYSA-N -1 1 350.371 2.106 20 10 FECDMM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825818830 675670044 /nfs/dbraw/zinc/67/00/44/675670044.db2.gz JXNCBKGHOZQEQJ-NSHDSACASA-N -1 1 352.406 2.251 20 10 FECDMM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000829680715 675887196 /nfs/dbraw/zinc/88/71/96/675887196.db2.gz DDNDUIXQIKSZPF-RMLUDKJBSA-N -1 1 351.296 2.450 20 10 FECDMM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000829680713 675887240 /nfs/dbraw/zinc/88/72/40/675887240.db2.gz DDNDUIXQIKSZPF-CLAHSXSESA-N -1 1 351.296 2.450 20 10 FECDMM COCC(COC)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000839622034 680767446 /nfs/dbraw/zinc/76/74/46/680767446.db2.gz NRAULVBSXXLLKX-UHFFFAOYSA-N -1 1 370.877 2.027 20 10 FECDMM CN(C)c1ncc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765317398 680839347 /nfs/dbraw/zinc/83/93/47/680839347.db2.gz BDWVMSPDLSTTEZ-UHFFFAOYSA-N -1 1 366.219 2.332 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(-n2cncn2)c1 ZINC000765728520 680852801 /nfs/dbraw/zinc/85/28/01/680852801.db2.gz UWBANEJQOWWYCS-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM CC(=O)N1CC[C@](C)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748566 680853858 /nfs/dbraw/zinc/85/38/58/680853858.db2.gz WSWAOFWUTLFSGB-HNNXBMFYSA-N -1 1 355.232 2.029 20 10 FECDMM Cn1cc(C(C)(C)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765751679 680854033 /nfs/dbraw/zinc/85/40/33/680854033.db2.gz JDLGQQATHUMPCY-UHFFFAOYSA-N -1 1 352.232 2.482 20 10 FECDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]c1C ZINC000765767738 680854598 /nfs/dbraw/zinc/85/45/98/680854598.db2.gz DVANOGLNWPXFNE-UHFFFAOYSA-N -1 1 352.188 2.197 20 10 FECDMM COc1cc(C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769706365 680992148 /nfs/dbraw/zinc/99/21/48/680992148.db2.gz RHWOENHFWGCZBY-UHFFFAOYSA-N -1 1 350.396 2.333 20 10 FECDMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084881 681125012 /nfs/dbraw/zinc/12/50/12/681125012.db2.gz UEUMBQOKCOVIAT-NSHDSACASA-N -1 1 352.412 2.172 20 10 FECDMM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncc(C)cc1[O-] ZINC000779051743 681675183 /nfs/dbraw/zinc/67/51/83/681675183.db2.gz ZZZAVIPUNQTMNL-UHFFFAOYSA-N -1 1 364.785 2.270 20 10 FECDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000849388595 681708661 /nfs/dbraw/zinc/70/86/61/681708661.db2.gz VGMFPZQLRCADKH-NSHDSACASA-N -1 1 350.400 2.095 20 10 FECDMM CCNC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781895805 681986311 /nfs/dbraw/zinc/98/63/11/681986311.db2.gz XPQQJODZSZKDRU-UHFFFAOYSA-N -1 1 356.264 2.310 20 10 FECDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000790409036 682674414 /nfs/dbraw/zinc/67/44/14/682674414.db2.gz LEPHQNYREYONDA-UHFFFAOYSA-N -1 1 355.343 2.429 20 10 FECDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(CCN2CCOCC2)n1 ZINC000790977506 682717423 /nfs/dbraw/zinc/71/74/23/682717423.db2.gz ZWVWNRWJQUUSTP-UHFFFAOYSA-N -1 1 354.813 2.326 20 10 FECDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819578 683275861 /nfs/dbraw/zinc/27/58/61/683275861.db2.gz NEJVNMGRKAUYJF-UHFFFAOYSA-N -1 1 369.370 2.436 20 10 FECDMM CCCCc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000055186812 540633386 /nfs/dbraw/zinc/63/33/86/540633386.db2.gz JGIZWSFTLXLOHB-UHFFFAOYSA-N -1 1 370.456 2.210 20 10 FECDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1F ZINC000101573944 543035202 /nfs/dbraw/zinc/03/52/02/543035202.db2.gz HZBINGSXZRTLRI-UHFFFAOYSA-N -1 1 368.405 2.280 20 10 FECDMM COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000123843719 543786459 /nfs/dbraw/zinc/78/64/59/543786459.db2.gz AYLKIQXIGOZUQR-GFCCVEGCSA-N -1 1 357.248 2.264 20 10 FECDMM Cn1ncc2c1ncnc2N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179659086 546992548 /nfs/dbraw/zinc/99/25/48/546992548.db2.gz UOUXJPITJNEWPI-UHFFFAOYSA-N -1 1 358.833 2.045 20 10 FECDMM CCCCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000269669748 550215675 /nfs/dbraw/zinc/21/56/75/550215675.db2.gz ZZEOWEMZMPJSBK-UHFFFAOYSA-N -1 1 352.416 2.082 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2n[nH]cc2C1 ZINC000277468068 550674279 /nfs/dbraw/zinc/67/42/79/550674279.db2.gz HQFBQYGVCDAFBK-VIFPVBQESA-N -1 1 350.216 2.299 20 10 FECDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000279680699 550916276 /nfs/dbraw/zinc/91/62/76/550916276.db2.gz GOSHHCSEICEIIN-CHWSQXEVSA-N -1 1 373.247 2.148 20 10 FECDMM Cc1nccnc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000297029983 553244318 /nfs/dbraw/zinc/24/43/18/553244318.db2.gz VXIXZGFEMAJGOJ-UHFFFAOYSA-N -1 1 365.231 2.295 20 10 FECDMM CC(C)(C)OC(=O)NCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833442081 604949177 /nfs/dbraw/zinc/94/91/77/604949177.db2.gz MYWBLGDSFQPPTQ-UHFFFAOYSA-N -1 1 358.822 2.457 20 10 FECDMM CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833442081 604949179 /nfs/dbraw/zinc/94/91/79/604949179.db2.gz MYWBLGDSFQPPTQ-UHFFFAOYSA-N -1 1 358.822 2.457 20 10 FECDMM NC(=O)CCNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816526791 675062593 /nfs/dbraw/zinc/06/25/93/675062593.db2.gz OXDJZFSUBQOCLP-UHFFFAOYSA-N -1 1 365.792 2.402 20 10 FECDMM CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000008205318 669979638 /nfs/dbraw/zinc/97/96/38/669979638.db2.gz RRDRCVWBCSOMJR-UHFFFAOYSA-N -1 1 360.483 2.197 20 10 FECDMM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1c(F)ccc(O)c1[O-] ZINC000825781760 675668861 /nfs/dbraw/zinc/66/88/61/675668861.db2.gz ICMFKIGWJBIQMW-UHFFFAOYSA-N -1 1 350.390 2.148 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)cn3)no2)c1 ZINC000763347841 680780610 /nfs/dbraw/zinc/78/06/10/680780610.db2.gz OEZLONSZSFCFMJ-UHFFFAOYSA-N -1 1 350.331 2.015 20 10 FECDMM CC(C)n1ncc(C(=O)NCc2cccc(Br)c2[O-])c1N ZINC000765943959 680860451 /nfs/dbraw/zinc/86/04/51/680860451.db2.gz NJCZIGFQLZYGEC-UHFFFAOYSA-N -1 1 353.220 2.444 20 10 FECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000766047745 680864137 /nfs/dbraw/zinc/86/41/37/680864137.db2.gz RTBRHLFQRWQGRR-UHFFFAOYSA-N -1 1 353.327 2.233 20 10 FECDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1F ZINC000758775527 680606815 /nfs/dbraw/zinc/60/68/15/680606815.db2.gz ZAWRUGRETJTPEG-UHFFFAOYSA-N -1 1 366.370 2.493 20 10 FECDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000769681259 680991204 /nfs/dbraw/zinc/99/12/04/680991204.db2.gz OAHBCFBCRYKAME-UHFFFAOYSA-N -1 1 364.423 2.439 20 10 FECDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cnc1Cl ZINC000769931405 681000890 /nfs/dbraw/zinc/00/08/90/681000890.db2.gz GOPSNJJFNDCUMV-UHFFFAOYSA-N -1 1 355.803 2.373 20 10 FECDMM COc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000769984322 681002287 /nfs/dbraw/zinc/00/22/87/681002287.db2.gz ZLBZREIRSDGHCH-UHFFFAOYSA-N -1 1 368.386 2.188 20 10 FECDMM NC(=O)CCNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000775756440 681332784 /nfs/dbraw/zinc/33/27/84/681332784.db2.gz ITXXACLDWBZXKO-UHFFFAOYSA-N -1 1 365.792 2.402 20 10 FECDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000777590230 681507808 /nfs/dbraw/zinc/50/78/08/681507808.db2.gz CTZGDTPULCBBAO-UHFFFAOYSA-N -1 1 367.339 2.280 20 10 FECDMM Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c(O)c1O ZINC000781012971 681895290 /nfs/dbraw/zinc/89/52/90/681895290.db2.gz JSFHQPCXVMIWCZ-UHFFFAOYSA-N -1 1 354.359 2.169 20 10 FECDMM CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782546067 682055968 /nfs/dbraw/zinc/05/59/68/682055968.db2.gz IKJYODNPEWHUMB-UHFFFAOYSA-N -1 1 353.371 2.129 20 10 FECDMM O=C(COC(=O)c1ccc(OCC(F)F)nc1)c1ccc([O-])c(O)c1 ZINC000784426107 682225993 /nfs/dbraw/zinc/22/59/93/682225993.db2.gz HHJUVLAJDSVXIV-UHFFFAOYSA-N -1 1 353.277 2.176 20 10 FECDMM O=C(CC1CCC2(CC1)OCCO2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784893397 682258763 /nfs/dbraw/zinc/25/87/63/682258763.db2.gz KVHTUKZCCLKLJV-UHFFFAOYSA-N -1 1 350.367 2.147 20 10 FECDMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789975625 682642400 /nfs/dbraw/zinc/64/24/00/682642400.db2.gz ANLFROVKBZSJDR-LLVKDONJSA-N -1 1 364.760 2.426 20 10 FECDMM C[C@H](NCc1nnc2n1CCOC2)c1cc(Br)c(F)cc1[O-] ZINC000790740291 682698408 /nfs/dbraw/zinc/69/84/08/682698408.db2.gz WTXTYBDXIFHGML-QMMMGPOBSA-N -1 1 371.210 2.266 20 10 FECDMM COC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000867194613 684224067 /nfs/dbraw/zinc/22/40/67/684224067.db2.gz AHFKFBCBXIFTRJ-UHFFFAOYSA-N -1 1 364.261 2.143 20 10 FECDMM Cn1ncc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c1C(F)(F)F ZINC000867463301 684287405 /nfs/dbraw/zinc/28/74/05/684287405.db2.gz JDESCEVXVQLCDX-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])C1N=NC(=O)N1C ZINC000895172309 689671060 /nfs/dbraw/zinc/67/10/60/689671060.db2.gz SKOOBCWGIAUUIG-ZCFIWIBFSA-N -1 1 361.627 2.493 20 10 FECDMM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1cccc(Cl)c1[O-] ZINC000900839961 690572271 /nfs/dbraw/zinc/57/22/71/690572271.db2.gz XWEOFEVPOZKFLJ-GXTWGEPZSA-N -1 1 355.818 2.363 20 10 FECDMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)nc1 ZINC000276551679 550579145 /nfs/dbraw/zinc/57/91/45/550579145.db2.gz HWLFVRZJLUGCAY-GFCCVEGCSA-N -1 1 373.384 2.431 20 10 FECDMM COCCn1nnc2c1CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000293451729 552825427 /nfs/dbraw/zinc/82/54/27/552825427.db2.gz COABLRVYQVKQCU-UHFFFAOYSA-N -1 1 364.833 2.044 20 10 FECDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1S(N)(=O)=O ZINC000808439498 674459344 /nfs/dbraw/zinc/45/93/44/674459344.db2.gz IIRYYVFHFTYXFF-UHFFFAOYSA-N -1 1 360.794 2.453 20 10 FECDMM c1cc(NCc2ccc(N3CCSCC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000738420175 599412716 /nfs/dbraw/zinc/41/27/16/599412716.db2.gz XURDKSZWFUMXLF-UHFFFAOYSA-N -1 1 353.455 2.427 20 10 FECDMM c1cc(NCc2ccc(N3CCSCC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000738420175 599412718 /nfs/dbraw/zinc/41/27/18/599412718.db2.gz XURDKSZWFUMXLF-UHFFFAOYSA-N -1 1 353.455 2.427 20 10 FECDMM CC[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000736943596 600213688 /nfs/dbraw/zinc/21/36/88/600213688.db2.gz PGZFJBVZBIELJI-PKYBCLHXSA-N -1 1 363.414 2.240 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2[nH]c(=O)[nH]c2c1 ZINC000809798970 674510383 /nfs/dbraw/zinc/51/03/83/674510383.db2.gz USAWERQMUUWRSQ-UHFFFAOYSA-N -1 1 363.171 2.062 20 10 FECDMM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827281551 604745628 /nfs/dbraw/zinc/74/56/28/604745628.db2.gz PBOFIEPOEWNQFA-BXUZGUMPSA-N -1 1 354.834 2.237 20 10 FECDMM CN(C)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000810217928 674537320 /nfs/dbraw/zinc/53/73/20/674537320.db2.gz MUIKYXCJNBJFHM-UHFFFAOYSA-N -1 1 366.219 2.332 20 10 FECDMM O=C(CCCn1ccccc1=O)NCc1cccc(Br)c1[O-] ZINC000765736539 680853284 /nfs/dbraw/zinc/85/32/84/680853284.db2.gz NSRXMFMEVUTENI-UHFFFAOYSA-N -1 1 365.227 2.413 20 10 FECDMM Cn1c(C(=O)NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000765737138 680853332 /nfs/dbraw/zinc/85/33/32/680853332.db2.gz QNZHVABCJVAAFN-UHFFFAOYSA-N -1 1 354.160 2.331 20 10 FECDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000751414758 680172498 /nfs/dbraw/zinc/17/24/98/680172498.db2.gz DUMMYRMABRMLDO-UHFFFAOYSA-N -1 1 372.786 2.441 20 10 FECDMM CC(C)n1cnc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766181233 680869357 /nfs/dbraw/zinc/86/93/57/680869357.db2.gz STJKAAASIJPLNR-UHFFFAOYSA-N -1 1 374.260 2.411 20 10 FECDMM COc1cc(F)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000769984411 681002211 /nfs/dbraw/zinc/00/22/11/681002211.db2.gz SPFWIXQHHHLPMF-UHFFFAOYSA-N -1 1 372.349 2.303 20 10 FECDMM COc1c([O-])c(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774907869 681249360 /nfs/dbraw/zinc/24/93/60/681249360.db2.gz HZBAEBMVVLXCAG-KCJUWKMLSA-N -1 1 350.293 2.461 20 10 FECDMM Cc1nn(C(F)F)c(C)c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783216735 682125362 /nfs/dbraw/zinc/12/53/62/682125362.db2.gz NCPKDRCBOBGUGX-UHFFFAOYSA-N -1 1 354.309 2.275 20 10 FECDMM O=C(CCOCC(F)(F)C(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784927972 682261903 /nfs/dbraw/zinc/26/19/03/682261903.db2.gz YEVVQTKIIUYCKU-UHFFFAOYSA-N -1 1 372.242 2.428 20 10 FECDMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1F ZINC000788052569 682499088 /nfs/dbraw/zinc/49/90/88/682499088.db2.gz GCMCFOKDXBUTMI-UHFFFAOYSA-N -1 1 366.414 2.472 20 10 FECDMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789984668 682643468 /nfs/dbraw/zinc/64/34/68/682643468.db2.gz WPMLHAYAGMBJIF-LBPRGKRZSA-N -1 1 364.760 2.426 20 10 FECDMM COCCOC1CCC(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000796191129 683138987 /nfs/dbraw/zinc/13/89/87/683138987.db2.gz YYLMVPBWMAYYST-UHFFFAOYSA-N -1 1 352.383 2.046 20 10 FECDMM COCCN1C(=O)C(=CNc2ccc(C(C)(C)C)cc2)C(=O)[N-]C1=S ZINC000920974340 683383697 /nfs/dbraw/zinc/38/36/97/683383697.db2.gz HPZNYRRIBZWZKH-SDNWHVSQSA-N -1 1 361.467 2.170 20 10 FECDMM COCCN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)[N-]C1=S ZINC000920974779 683383761 /nfs/dbraw/zinc/38/37/61/683383761.db2.gz SWWOBCGWOUVHHI-YRNVUSSQSA-N -1 1 374.249 2.179 20 10 FECDMM COc1c([O-])c(CN[C@H](c2cnn(C)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862364373 683577384 /nfs/dbraw/zinc/57/73/84/683577384.db2.gz AAJOBKYFVIQGNP-CYBMUJFWSA-N -1 1 360.292 2.436 20 10 FECDMM O=C([O-])[C@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Br ZINC000864509554 683863013 /nfs/dbraw/zinc/86/30/13/683863013.db2.gz NDMDXZCJUYLORS-ZDUSSCGKSA-N -1 1 357.248 2.183 20 10 FECDMM O=S(=O)([N-]CCCSc1nccs1)c1ccc(F)nc1F ZINC000866781699 684151999 /nfs/dbraw/zinc/15/19/99/684151999.db2.gz LZERKOZPMWRZRE-UHFFFAOYSA-N -1 1 351.425 2.277 20 10 FECDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C)ns3)C2)cc1 ZINC000867496572 684295366 /nfs/dbraw/zinc/29/53/66/684295366.db2.gz FQOMTXGUHZLPQY-GFCCVEGCSA-N -1 1 353.469 2.017 20 10 FECDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368792 685203645 /nfs/dbraw/zinc/20/36/45/685203645.db2.gz GWPVAXQHGKCQOB-QLFBSQMISA-N -1 1 366.845 2.237 20 10 FECDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368792 685203648 /nfs/dbraw/zinc/20/36/48/685203648.db2.gz GWPVAXQHGKCQOB-QLFBSQMISA-N -1 1 366.845 2.237 20 10 FECDMM COC(=O)C1=NO[C@@]2(CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C2)C1 ZINC000879484052 686833115 /nfs/dbraw/zinc/83/31/15/686833115.db2.gz RAFSNPRFCDSADA-KRWDZBQOSA-N -1 1 366.801 2.142 20 10 FECDMM COC(=O)c1ccn(CCCC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890762886 688962877 /nfs/dbraw/zinc/96/28/77/688962877.db2.gz KRMQMEOXNLPMOE-UHFFFAOYSA-N -1 1 351.790 2.125 20 10 FECDMM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893011853 689281321 /nfs/dbraw/zinc/28/13/21/689281321.db2.gz YJIFCPDWEMMUMC-AAEUAGOBSA-N -1 1 353.850 2.492 20 10 FECDMM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893151673 689304720 /nfs/dbraw/zinc/30/47/20/689304720.db2.gz RJYDATAZMGCALA-RYUDHWBXSA-N -1 1 360.863 2.201 20 10 FECDMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])CN1CCOCC1 ZINC000907758763 691554873 /nfs/dbraw/zinc/55/48/73/691554873.db2.gz UEZHIVAEYADVBB-XFXZXTDPSA-N -1 1 369.259 2.049 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000802402101 674180716 /nfs/dbraw/zinc/18/07/16/674180716.db2.gz KMQZDKBXPJLCON-UHFFFAOYSA-N -1 1 373.337 2.012 20 10 FECDMM COCCc1noc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])n1 ZINC000151144488 544509638 /nfs/dbraw/zinc/50/96/38/544509638.db2.gz ORVQEZNZPRFJBL-UHFFFAOYSA-N -1 1 353.806 2.452 20 10 FECDMM CN(CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000803819527 674261707 /nfs/dbraw/zinc/26/17/07/674261707.db2.gz BERRMZWHNRAVIQ-UHFFFAOYSA-N -1 1 353.371 2.081 20 10 FECDMM COC(=O)CCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277487553 550676508 /nfs/dbraw/zinc/67/65/08/550676508.db2.gz QFLAQWBSUMUOKL-UHFFFAOYSA-N -1 1 359.220 2.297 20 10 FECDMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277584161 550687919 /nfs/dbraw/zinc/68/79/19/550687919.db2.gz SSUUIWRYROZRIM-ZJUUUORDSA-N -1 1 372.263 2.257 20 10 FECDMM COc1c([O-])c(CN2CCN(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000278155493 550755095 /nfs/dbraw/zinc/75/50/95/550755095.db2.gz CVAMOMNUPGYBFL-UHFFFAOYSA-N -1 1 364.427 2.396 20 10 FECDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000293955581 552870723 /nfs/dbraw/zinc/87/07/23/552870723.db2.gz SPBPHORYVKWQFZ-NPNFKUNOSA-N -1 1 372.343 2.169 20 10 FECDMM Cc1cc(C(=O)N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c(C)o1 ZINC000294900163 552942932 /nfs/dbraw/zinc/94/29/32/552942932.db2.gz RLJCFFGVQYUHFE-UHFFFAOYSA-N -1 1 362.357 2.045 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000362653238 554978399 /nfs/dbraw/zinc/97/83/99/554978399.db2.gz IMTVHGGFHQCCRP-UHFFFAOYSA-N -1 1 372.406 2.406 20 10 FECDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000809815265 674511664 /nfs/dbraw/zinc/51/16/64/674511664.db2.gz DGOWPCDWADKFQZ-UHFFFAOYSA-N -1 1 364.471 2.280 20 10 FECDMM COc1ccc2ccc(O)c(CN3CCO[C@@H]([C@@H](C)NC(=O)[O-])C3)c2c1 ZINC000829527393 604438261 /nfs/dbraw/zinc/43/82/61/604438261.db2.gz YJLURJIKDNMVJT-KZULUSFZSA-N -1 1 360.410 2.411 20 10 FECDMM Cc1nc(-c2ccc(NC(=O)C3=S=C(c4nn[n-]n4)C=C3)cc2)oc1C ZINC000822418620 606529470 /nfs/dbraw/zinc/52/94/70/606529470.db2.gz AHAGKBAYEVIKLH-UHFFFAOYSA-N -1 1 366.406 2.106 20 10 FECDMM O=C1[N-]C(=S)S/C1=C\c1c(Br)n[nH]c1Br ZINC000821022809 675407724 /nfs/dbraw/zinc/40/77/24/675407724.db2.gz VBDBCLZZVJHDPA-IWQZZHSRSA-N -1 1 369.063 2.424 20 10 FECDMM CCC(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765727904 680852916 /nfs/dbraw/zinc/85/29/16/680852916.db2.gz QPIOMNPGPIARHN-LBPRGKRZSA-N -1 1 369.259 2.420 20 10 FECDMM COC(=O)c1coc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751191 680853987 /nfs/dbraw/zinc/85/39/87/680853987.db2.gz RNZLTDWCDSJBBF-UHFFFAOYSA-N -1 1 354.156 2.464 20 10 FECDMM Cc1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765927572 680859484 /nfs/dbraw/zinc/85/94/84/680859484.db2.gz UNDJBBZHKUAJPV-UHFFFAOYSA-N -1 1 370.228 2.175 20 10 FECDMM Cc1nc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cs1 ZINC000758278687 680567602 /nfs/dbraw/zinc/56/76/02/680567602.db2.gz OLLVZRGTRKOPNR-UHFFFAOYSA-N -1 1 366.424 2.169 20 10 FECDMM C[C@@H]1CCCCN1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199577 680870088 /nfs/dbraw/zinc/87/00/88/680870088.db2.gz FDFJUBKCMYKBLS-SNVBAGLBSA-N -1 1 363.277 2.364 20 10 FECDMM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846258478 681213254 /nfs/dbraw/zinc/21/32/54/681213254.db2.gz IUPLQSCGZRNUOT-SNVBAGLBSA-N -1 1 358.320 2.296 20 10 FECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000776435216 681391508 /nfs/dbraw/zinc/39/15/08/681391508.db2.gz YWTRCKNWJPJMCQ-UHFFFAOYSA-N -1 1 362.285 2.305 20 10 FECDMM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c(OC)c1 ZINC000777647911 681517069 /nfs/dbraw/zinc/51/70/69/681517069.db2.gz IKMHUVLEMCMRIH-UHFFFAOYSA-N -1 1 357.359 2.358 20 10 FECDMM CC(C)(C)OC(=O)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CC1 ZINC000849953571 681827738 /nfs/dbraw/zinc/82/77/38/681827738.db2.gz KVWVGQRBPPYEQV-OAHLLOKOSA-N -1 1 350.367 2.192 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCC(S(C)(=O)=O)CC2)c1 ZINC000781913405 681988694 /nfs/dbraw/zinc/98/86/94/681988694.db2.gz UCEZVXOESDYYCC-UHFFFAOYSA-N -1 1 362.289 2.472 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 ZINC000781914072 681988772 /nfs/dbraw/zinc/98/87/72/681988772.db2.gz YAHCRAGRDCGTEG-GHMZBOCLSA-N -1 1 362.289 2.471 20 10 FECDMM CN(C)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(Cl)n1 ZINC000783666956 682165143 /nfs/dbraw/zinc/16/51/43/682165143.db2.gz DBUHHWUDCOMPDY-UHFFFAOYSA-N -1 1 350.758 2.252 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cc(F)ncn3)CC2)c1[O-] ZINC000852130101 682224987 /nfs/dbraw/zinc/22/49/87/682224987.db2.gz JOSDTXIMOWOJLY-UHFFFAOYSA-N -1 1 364.808 2.500 20 10 FECDMM O=C(NCCNC(=O)c1c([O-])c(O)ccc1F)c1ccc(Cl)cc1 ZINC000789952789 682640346 /nfs/dbraw/zinc/64/03/46/682640346.db2.gz IUAZYBUQJWEIJT-UHFFFAOYSA-N -1 1 352.749 2.050 20 10 FECDMM CCCOc1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000862858090 683644116 /nfs/dbraw/zinc/64/41/16/683644116.db2.gz OHXQARJGFMHFQM-UHFFFAOYSA-N -1 1 365.411 2.200 20 10 FECDMM C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2Cl)C1 ZINC000868065359 684446398 /nfs/dbraw/zinc/44/63/98/684446398.db2.gz NBQUQBKFZCVLFP-LBPRGKRZSA-N -1 1 362.865 2.338 20 10 FECDMM COCCNS(=O)(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883192309 687584921 /nfs/dbraw/zinc/58/49/21/687584921.db2.gz WKLPWZHVTZBZFV-UHFFFAOYSA-N -1 1 372.393 2.207 20 10 FECDMM CC1CCC(NS(=O)(=O)CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757299 688962608 /nfs/dbraw/zinc/96/26/08/688962608.db2.gz BLJUEGIOGDLPFQ-UHFFFAOYSA-N -1 1 374.890 2.160 20 10 FECDMM CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760569 688963103 /nfs/dbraw/zinc/96/31/03/688963103.db2.gz UCCACFYVETWZKL-UHFFFAOYSA-N -1 1 370.833 2.298 20 10 FECDMM CN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccnc1 ZINC000890763341 688963248 /nfs/dbraw/zinc/96/32/48/688963248.db2.gz SRLUZDRPCZQYBY-XJKSGUPXSA-N -1 1 359.813 2.276 20 10 FECDMM Cc1cc(C(=O)N2CCN(Cc3cc(F)cc(F)c3[O-])[C@H](C)C2)n[nH]1 ZINC000894968503 689631465 /nfs/dbraw/zinc/63/14/65/689631465.db2.gz AAFATTWHHBKLJD-LLVKDONJSA-N -1 1 350.369 2.048 20 10 FECDMM CS(=O)(=O)C1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896562379 689895703 /nfs/dbraw/zinc/89/57/03/689895703.db2.gz VDEYWMSXZPYJKN-UHFFFAOYSA-N -1 1 374.890 2.448 20 10 FECDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](C)N1CC(F)(F)F ZINC000900861914 690575933 /nfs/dbraw/zinc/57/59/33/690575933.db2.gz CZOYMULJBLUNPW-DTORHVGOSA-N -1 1 350.312 2.334 20 10 FECDMM O=C(COC(=O)c1ncsc1Br)c1ccc([O-])c(O)c1 ZINC000805710468 674351005 /nfs/dbraw/zinc/35/10/05/674351005.db2.gz QFFADCXWCOFGBA-UHFFFAOYSA-N -1 1 358.169 2.357 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000172409475 546251468 /nfs/dbraw/zinc/25/14/68/546251468.db2.gz AXJSSLCNMGKVEW-UHFFFAOYSA-N -1 1 358.419 2.456 20 10 FECDMM O=C(CC1CCCCC1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276600726 550579474 /nfs/dbraw/zinc/57/94/74/550579474.db2.gz OFHKAYPOUOBVGZ-UHFFFAOYSA-N -1 1 364.417 2.492 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2n[nH]cc2C1 ZINC000277468063 550674201 /nfs/dbraw/zinc/67/42/01/550674201.db2.gz HQFBQYGVCDAFBK-SECBINFHSA-N -1 1 350.216 2.299 20 10 FECDMM COc1c([O-])c(CN2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319740 550772370 /nfs/dbraw/zinc/77/23/70/550772370.db2.gz FZANJXWMFYPZPW-AWEZNQCLSA-N -1 1 364.427 2.333 20 10 FECDMM COc1cc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)ccc1F ZINC000295806729 553061695 /nfs/dbraw/zinc/06/16/95/553061695.db2.gz BIXRPOGEVAWTQT-UHFFFAOYSA-N -1 1 364.348 2.347 20 10 FECDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000296527715 553174486 /nfs/dbraw/zinc/17/44/86/553174486.db2.gz ARUBZVKQQASKPB-MWLCHTKSSA-N -1 1 354.378 2.222 20 10 FECDMM COc1ccc(CN2CC[C@H]2CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000530272830 562404894 /nfs/dbraw/zinc/40/48/94/562404894.db2.gz DOJJIDDQSIEZQH-ZDUSSCGKSA-N -1 1 360.385 2.250 20 10 FECDMM CSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000807783490 674429388 /nfs/dbraw/zinc/42/93/88/674429388.db2.gz OPDTUSVZTMNVOV-UHFFFAOYSA-N -1 1 353.425 2.133 20 10 FECDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cn1 ZINC000821565222 599312114 /nfs/dbraw/zinc/31/21/14/599312114.db2.gz JLMLZVJEAZZLCU-VZUCSPMQSA-N -1 1 373.423 2.082 20 10 FECDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cn1 ZINC000821565222 599312116 /nfs/dbraw/zinc/31/21/16/599312116.db2.gz JLMLZVJEAZZLCU-VZUCSPMQSA-N -1 1 373.423 2.082 20 10 FECDMM CCOCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000737177577 600213677 /nfs/dbraw/zinc/21/36/77/600213677.db2.gz QYXACGFCOQUOTL-BRLPQQTGSA-N -1 1 363.414 2.240 20 10 FECDMM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1F ZINC000826208849 607640849 /nfs/dbraw/zinc/64/08/49/607640849.db2.gz CGYSJWDQKDQMCF-UHFFFAOYSA-N -1 1 374.376 2.299 20 10 FECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCS[C@H](C)C2)c1 ZINC000171604818 672333923 /nfs/dbraw/zinc/33/39/23/672333923.db2.gz BTLOEVWKOQROMO-CQSZACIVSA-N -1 1 364.511 2.364 20 10 FECDMM C[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1cc(F)c(Cl)cc1Cl ZINC000194963172 672772781 /nfs/dbraw/zinc/77/27/81/672772781.db2.gz QAVWMWJGBKNDQA-YFKPBYRVSA-N -1 1 362.213 2.198 20 10 FECDMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000727358372 673167485 /nfs/dbraw/zinc/16/74/85/673167485.db2.gz WMHYFKDECTZVMW-UHFFFAOYSA-N -1 1 362.451 2.470 20 10 FECDMM COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000762795267 680761808 /nfs/dbraw/zinc/76/18/08/680761808.db2.gz SKIOIEPXMVPNMO-GFCCVEGCSA-N -1 1 368.796 2.400 20 10 FECDMM Nc1c(NCc2cccc(Br)c2[O-])ncnc1-n1cccn1 ZINC000764934045 680824740 /nfs/dbraw/zinc/82/47/40/680824740.db2.gz IAVPRRMFDBJRFC-UHFFFAOYSA-N -1 1 361.203 2.325 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2n(n1)CCCO2 ZINC000765729030 680852863 /nfs/dbraw/zinc/85/28/63/680852863.db2.gz XVZDVOBMSMCRAO-UHFFFAOYSA-N -1 1 352.188 2.064 20 10 FECDMM C[C@H]1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000831286459 679960807 /nfs/dbraw/zinc/96/08/07/679960807.db2.gz BBAUNERCVDEMCI-ONGXEEELSA-N -1 1 364.261 2.142 20 10 FECDMM CSc1cc(O)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000754746269 680374608 /nfs/dbraw/zinc/37/46/08/680374608.db2.gz HUMHUULWXUIPSS-UHFFFAOYSA-N -1 1 368.436 2.444 20 10 FECDMM Cc1cnc(CCNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000836687527 680499995 /nfs/dbraw/zinc/49/99/95/680499995.db2.gz ULLZGOBHVSHNKQ-UHFFFAOYSA-N -1 1 365.231 2.295 20 10 FECDMM O=S(=O)(C[C@@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000766201354 680870004 /nfs/dbraw/zinc/87/00/04/680870004.db2.gz RFKGJVSBNWRWEC-SNVBAGLBSA-N -1 1 364.261 2.001 20 10 FECDMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000776013898 681356831 /nfs/dbraw/zinc/35/68/31/681356831.db2.gz OQSRNVQJUUWKQI-STQMWFEESA-N -1 1 372.805 2.496 20 10 FECDMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cc2C1=O ZINC000776751888 681433540 /nfs/dbraw/zinc/43/35/40/681433540.db2.gz WFTBVPKXRLQWMR-UHFFFAOYSA-N -1 1 366.782 2.072 20 10 FECDMM COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000778188497 681584019 /nfs/dbraw/zinc/58/40/19/681584019.db2.gz HHQVPOSYPFFKJD-UHFFFAOYSA-N -1 1 368.861 2.317 20 10 FECDMM O=C(COC(=O)c1cnc(-c2ncccn2)s1)c1ccc([O-])c(O)c1 ZINC000783338019 682136575 /nfs/dbraw/zinc/13/65/75/682136575.db2.gz UJHXNKQATWXLCL-UHFFFAOYSA-N -1 1 357.347 2.051 20 10 FECDMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000786728080 682399821 /nfs/dbraw/zinc/39/98/21/682399821.db2.gz HFPVTJYEWLLMDW-UHFFFAOYSA-N -1 1 359.350 2.496 20 10 FECDMM O=C(CNC(=O)c1c([O-])c(O)ccc1F)Nc1ccc(F)c(F)c1F ZINC000789954822 682640287 /nfs/dbraw/zinc/64/02/87/682640287.db2.gz PYLAEVUFRGARQH-UHFFFAOYSA-N -1 1 358.247 2.023 20 10 FECDMM COc1ccccc1-n1nnnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000792367463 682806963 /nfs/dbraw/zinc/80/69/63/682806963.db2.gz FCFIGAQHKMNUEB-UHFFFAOYSA-N -1 1 358.379 2.057 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)ccc1O ZINC000792703266 682829262 /nfs/dbraw/zinc/82/92/62/682829262.db2.gz SEYPERMLRMPGFZ-UHFFFAOYSA-N -1 1 369.420 2.407 20 10 FECDMM COC(=O)/C(C)=C\CNC(=O)NCc1cccc(Br)c1[O-] ZINC000925019712 684516996 /nfs/dbraw/zinc/51/69/96/684516996.db2.gz RQIUZQDDNHYQGG-TWGQIWQCSA-N -1 1 357.204 2.073 20 10 FECDMM Cc1cc(Br)c([O-])c([C@H]2NC3(CCOCC3)C(=O)N2C)c1 ZINC000887333802 688407511 /nfs/dbraw/zinc/40/75/11/688407511.db2.gz ACCJRTJLCWDXDG-ZDUSSCGKSA-N -1 1 355.232 2.073 20 10 FECDMM CC(=O)N1CCN(c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)CC1 ZINC000041419578 540020598 /nfs/dbraw/zinc/02/05/98/540020598.db2.gz NRWJJJNCMJEMMY-UHFFFAOYSA-N -1 1 373.478 2.464 20 10 FECDMM O=C(NCc1cc(Br)ccc1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000804736202 674299441 /nfs/dbraw/zinc/29/94/41/674299441.db2.gz NCIHMJCNVCSJIB-UHFFFAOYSA-N -1 1 368.143 2.094 20 10 FECDMM C[C@H](C1CC1)n1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271305252 550362606 /nfs/dbraw/zinc/36/26/06/550362606.db2.gz RMMBMPXZJODVCE-SNVBAGLBSA-N -1 1 364.427 2.184 20 10 FECDMM O=C(NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)c1ccsc1 ZINC000276652756 550581749 /nfs/dbraw/zinc/58/17/49/550581749.db2.gz WTFQKPGZKUVWEI-UHFFFAOYSA-N -1 1 364.398 2.333 20 10 FECDMM Cc1nn(C)c(C)c1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000277488391 550676569 /nfs/dbraw/zinc/67/65/69/550676569.db2.gz JGIUCEOMLLHKOY-UHFFFAOYSA-N -1 1 368.231 2.200 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000295890867 553072414 /nfs/dbraw/zinc/07/24/14/553072414.db2.gz CQUJRBWSRVLIGA-IBGZPJMESA-N -1 1 363.360 2.443 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000296733983 553204330 /nfs/dbraw/zinc/20/43/30/553204330.db2.gz OCEHESMSGFJQCD-UHFFFAOYSA-N -1 1 371.290 2.012 20 10 FECDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccccc1O ZINC000366323153 555811597 /nfs/dbraw/zinc/81/15/97/555811597.db2.gz OUCARDWWKICOQN-UHFFFAOYSA-N -1 1 364.405 2.047 20 10 FECDMM CCN(CC)c1ccc(CN(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000737089388 600904331 /nfs/dbraw/zinc/90/43/31/600904331.db2.gz UEPARCGZJKRNFB-UHFFFAOYSA-N -1 1 361.486 2.288 20 10 FECDMM O=C(NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823196585 606560983 /nfs/dbraw/zinc/56/09/83/606560983.db2.gz ITKJCSJWSKWRIE-UHFFFAOYSA-N -1 1 352.470 2.297 20 10 FECDMM O=C(NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196585 606560984 /nfs/dbraw/zinc/56/09/84/606560984.db2.gz ITKJCSJWSKWRIE-UHFFFAOYSA-N -1 1 352.470 2.297 20 10 FECDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000811701469 674621286 /nfs/dbraw/zinc/62/12/86/674621286.db2.gz XKJXUDAEFIGCNO-UHFFFAOYSA-N -1 1 357.428 2.266 20 10 FECDMM COCC[C@@H](COC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000811955523 674642599 /nfs/dbraw/zinc/64/25/99/674642599.db2.gz ALYJQHLTGUDREO-NSHDSACASA-N -1 1 361.236 2.005 20 10 FECDMM CCCN1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000839740438 680775709 /nfs/dbraw/zinc/77/57/09/680775709.db2.gz OFFSIDHOTDCUNR-NSHDSACASA-N -1 1 355.232 2.029 20 10 FECDMM COCc1cc(NC(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000765316414 680839333 /nfs/dbraw/zinc/83/93/33/680839333.db2.gz KZQOWDZBBCZJDK-UHFFFAOYSA-N -1 1 367.203 2.413 20 10 FECDMM C[C@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766748 680854480 /nfs/dbraw/zinc/85/44/80/680854480.db2.gz BEABLFQBROIROQ-CMPLNLGQSA-N -1 1 358.232 2.355 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cnnn2)cc1 ZINC000765766787 680854632 /nfs/dbraw/zinc/85/46/32/680854632.db2.gz BOEODUHHGVWTHE-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCCF)c2)c1 ZINC000760147322 680678036 /nfs/dbraw/zinc/67/80/36/680678036.db2.gz NVISMQAGMGGWGY-UHFFFAOYSA-N -1 1 368.386 2.364 20 10 FECDMM CC1CCN(S(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000766201853 680870015 /nfs/dbraw/zinc/87/00/15/680870015.db2.gz VVDVMDILWPLANP-UHFFFAOYSA-N -1 1 363.277 2.221 20 10 FECDMM O=S(=O)(C[C@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000766201349 680870099 /nfs/dbraw/zinc/87/00/99/680870099.db2.gz RFKGJVSBNWRWEC-JTQLQIEISA-N -1 1 364.261 2.001 20 10 FECDMM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)c(C(F)(F)F)c1 ZINC000843038568 680984245 /nfs/dbraw/zinc/98/42/45/680984245.db2.gz JKDOUDYXUFTZRD-AWEZNQCLSA-N -1 1 356.348 2.420 20 10 FECDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000769585101 680987830 /nfs/dbraw/zinc/98/78/30/680987830.db2.gz JVGAWMHARFAWTE-UHFFFAOYSA-N -1 1 365.367 2.233 20 10 FECDMM CC[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C(=O)NCc1cccs1 ZINC000844148940 681041722 /nfs/dbraw/zinc/04/17/22/681041722.db2.gz KCVREIPBDWHBID-NSHDSACASA-N -1 1 352.387 2.123 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1O ZINC000776748541 681433227 /nfs/dbraw/zinc/43/32/27/681433227.db2.gz OFPJPPZYNGAJTN-UHFFFAOYSA-N -1 1 359.400 2.044 20 10 FECDMM CC(=O)N[C@](C)(C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000935662251 681796378 /nfs/dbraw/zinc/79/63/78/681796378.db2.gz CODTUJNQNXUVGH-HNNXBMFYSA-N -1 1 357.248 2.322 20 10 FECDMM CC(=O)N[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccs1 ZINC000782085944 682004797 /nfs/dbraw/zinc/00/47/97/682004797.db2.gz GCQSYMGAOQNFOO-GFCCVEGCSA-N -1 1 363.391 2.153 20 10 FECDMM CC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccs1 ZINC000782085947 682005208 /nfs/dbraw/zinc/00/52/08/682005208.db2.gz GCQSYMGAOQNFOO-LBPRGKRZSA-N -1 1 363.391 2.153 20 10 FECDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000783903234 682185055 /nfs/dbraw/zinc/18/50/55/682185055.db2.gz IOMBVKSRHXXVQC-JTQLQIEISA-N -1 1 353.371 2.127 20 10 FECDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)ccc1O ZINC000797819285 683275795 /nfs/dbraw/zinc/27/57/95/683275795.db2.gz DDKZGDHKDZVRQS-UHFFFAOYSA-N -1 1 355.343 2.347 20 10 FECDMM CC(C)CN1C(=O)C(=CN[C@H]2CCCc3ccccc32)C(=O)[N-]C1=S ZINC000920976929 683383914 /nfs/dbraw/zinc/38/39/14/683383914.db2.gz SCVYIUWKGLWIIW-KMPOOHAWSA-N -1 1 357.479 2.437 20 10 FECDMM CC(C)CN1C(=O)C(=CN[C@H](C)CCc2ccccc2)C(=O)[N-]C1=S ZINC000920976587 683384061 /nfs/dbraw/zinc/38/40/61/683384061.db2.gz XZKBMUWCKJGUEF-VQCBNXJZSA-N -1 1 359.495 2.381 20 10 FECDMM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368770 685203708 /nfs/dbraw/zinc/20/37/08/685203708.db2.gz FVLANQBYDDLIPT-GDBMZVCRSA-N -1 1 368.861 2.483 20 10 FECDMM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368770 685203710 /nfs/dbraw/zinc/20/37/10/685203710.db2.gz FVLANQBYDDLIPT-GDBMZVCRSA-N -1 1 368.861 2.483 20 10 FECDMM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000883335629 687609224 /nfs/dbraw/zinc/60/92/24/687609224.db2.gz XPIKCGOBURZJJE-MRVPVSSYSA-N -1 1 368.224 2.291 20 10 FECDMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cccc(Cl)c1[O-] ZINC000890756575 688962161 /nfs/dbraw/zinc/96/21/61/688962161.db2.gz FKLMPRWNPVIMDE-BETUJISGSA-N -1 1 364.829 2.227 20 10 FECDMM CS(=O)(=O)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000894804885 689599482 /nfs/dbraw/zinc/59/94/82/689599482.db2.gz RWHWKDGIZOPQRV-UHFFFAOYSA-N -1 1 360.863 2.202 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000177153709 546557472 /nfs/dbraw/zinc/55/74/72/546557472.db2.gz UJNDMXMMIHOZKE-CQSZACIVSA-N -1 1 357.859 2.400 20 10 FECDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274956696 550567366 /nfs/dbraw/zinc/56/73/66/550567366.db2.gz JWBWMWFLFRQIMR-CQSZACIVSA-N -1 1 373.365 2.222 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000276652657 550581735 /nfs/dbraw/zinc/58/17/35/550581735.db2.gz WSEQBKJTUSILRK-UHFFFAOYSA-N -1 1 351.765 2.248 20 10 FECDMM O=C(CNC(=O)C1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000277451722 550672472 /nfs/dbraw/zinc/67/24/72/550672472.db2.gz GHRACHLUFDAXRG-UHFFFAOYSA-N -1 1 369.259 2.467 20 10 FECDMM O=S(=O)(C[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277546421 550682862 /nfs/dbraw/zinc/68/28/62/550682862.db2.gz XVJKMXMBCVZBLQ-NSHDSACASA-N -1 1 364.261 2.143 20 10 FECDMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1c(F)ccc(O)c1[O-] ZINC000294854426 552939224 /nfs/dbraw/zinc/93/92/24/552939224.db2.gz NSFUKZNSDHTNNJ-HNNXBMFYSA-N -1 1 374.368 2.284 20 10 FECDMM Cc1ccc(CN2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cc1 ZINC000295687067 553045038 /nfs/dbraw/zinc/04/50/38/553045038.db2.gz LEJBDDGBRCWZNK-AWEZNQCLSA-N -1 1 358.369 2.076 20 10 FECDMM O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368619621 556365292 /nfs/dbraw/zinc/36/52/92/556365292.db2.gz QPYNJMGCDNCRRS-QWHCGFSZSA-N -1 1 374.268 2.361 20 10 FECDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000736532897 599030728 /nfs/dbraw/zinc/03/07/28/599030728.db2.gz VSNIBCIGRUZINR-UHFFFAOYSA-N -1 1 369.404 2.177 20 10 FECDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000736532897 599030730 /nfs/dbraw/zinc/03/07/30/599030730.db2.gz VSNIBCIGRUZINR-UHFFFAOYSA-N -1 1 369.404 2.177 20 10 FECDMM COc1ccc2[nH]cc(C3=CCN(c4nccnc4-c4nnn[n-]4)CC3)c2c1 ZINC000737116624 598345685 /nfs/dbraw/zinc/34/56/85/598345685.db2.gz VGGVNTBGULGYIZ-UHFFFAOYSA-N -1 1 374.408 2.440 20 10 FECDMM COc1ccc2[nH]cc(C3=CCN(c4nccnc4-c4nn[n-]n4)CC3)c2c1 ZINC000737116624 598345687 /nfs/dbraw/zinc/34/56/87/598345687.db2.gz VGGVNTBGULGYIZ-UHFFFAOYSA-N -1 1 374.408 2.440 20 10 FECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1cccnc1 ZINC000823504075 599380294 /nfs/dbraw/zinc/38/02/94/599380294.db2.gz LOQKRRKRAAFLCZ-WDZFZDKYSA-N -1 1 356.392 2.261 20 10 FECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1cccnc1 ZINC000823504075 599380290 /nfs/dbraw/zinc/38/02/90/599380290.db2.gz LOQKRRKRAAFLCZ-WDZFZDKYSA-N -1 1 356.392 2.261 20 10 FECDMM CCOC(=O)Nc1scnc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000808700962 674469145 /nfs/dbraw/zinc/46/91/45/674469145.db2.gz UOBLRYVAYKYGCA-UHFFFAOYSA-N -1 1 366.351 2.162 20 10 FECDMM COc1ccc2ccc(O)c(CN3CCO[C@H]([C@H](C)NC(=O)[O-])C3)c2c1 ZINC000829527394 604438455 /nfs/dbraw/zinc/43/84/55/604438455.db2.gz YJLURJIKDNMVJT-SGTLLEGYSA-N -1 1 360.410 2.411 20 10 FECDMM C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827281552 604745594 /nfs/dbraw/zinc/74/55/94/604745594.db2.gz PBOFIEPOEWNQFA-FZMZJTMJSA-N -1 1 354.834 2.237 20 10 FECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1c(O)ccc2c1CCCC2 ZINC000823625164 606713947 /nfs/dbraw/zinc/71/39/47/606713947.db2.gz RUGDODIQKPNRNH-UHFFFAOYSA-N -1 1 367.369 2.366 20 10 FECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1c(O)ccc2c1CCCC2 ZINC000823625164 606713950 /nfs/dbraw/zinc/71/39/50/606713950.db2.gz RUGDODIQKPNRNH-UHFFFAOYSA-N -1 1 367.369 2.366 20 10 FECDMM Cc1cc(=NN/C=C2/C(=O)[N-]C(=S)NC2=O)[nH]c2ccc(Cl)cc12 ZINC000029004124 670094070 /nfs/dbraw/zinc/09/40/70/670094070.db2.gz KNNFALDGZNSTDT-UHFFFAOYSA-N -1 1 361.814 2.368 20 10 FECDMM Cc1cc(=NN/C=C2\C(=O)[N-]C(=S)NC2=O)[nH]c2ccc(Cl)cc12 ZINC000029004124 670094072 /nfs/dbraw/zinc/09/40/72/670094072.db2.gz KNNFALDGZNSTDT-UHFFFAOYSA-N -1 1 361.814 2.368 20 10 FECDMM Cc1cc(=NNC=C2C(=O)[N-]C(=S)NC2=O)[nH]c2ccc(Cl)cc12 ZINC000029004124 670094076 /nfs/dbraw/zinc/09/40/76/670094076.db2.gz KNNFALDGZNSTDT-UHFFFAOYSA-N -1 1 361.814 2.368 20 10 FECDMM O=C1CN(Cc2ccccc2)[C@H](c2cc(O)cc(Br)c2[O-])N1 ZINC000112370278 670871188 /nfs/dbraw/zinc/87/11/88/670871188.db2.gz PIPDBKNFSQSYMQ-MRXNPFEDSA-N -1 1 363.211 2.491 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)[N-]C1=S ZINC000254953770 672881485 /nfs/dbraw/zinc/88/14/85/672881485.db2.gz YSBWRTSJMXJMJF-ZWSXMNCCSA-N -1 1 361.471 2.049 20 10 FECDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1c[nH]nc1Cl ZINC000830058040 677023439 /nfs/dbraw/zinc/02/34/39/677023439.db2.gz YDWPSXWYNCPDLX-UHFFFAOYSA-N -1 1 372.903 2.095 20 10 FECDMM CCc1cnccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000762227250 680745255 /nfs/dbraw/zinc/74/52/55/680745255.db2.gz SNJSNMYKAOZOII-UHFFFAOYSA-N -1 1 360.395 2.438 20 10 FECDMM COc1nn(C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765389263 680840784 /nfs/dbraw/zinc/84/07/84/680840784.db2.gz MIKIZPMKKWGRSN-UHFFFAOYSA-N -1 1 355.192 2.219 20 10 FECDMM COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(C)cc(Br)c1[O-] ZINC000840836628 680846026 /nfs/dbraw/zinc/84/60/26/680846026.db2.gz KDKVEZVHLVHDDW-ZDUSSCGKSA-N -1 1 355.232 2.073 20 10 FECDMM CNC(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765745993 680853662 /nfs/dbraw/zinc/85/36/62/680853662.db2.gz BNEBIIVYNAENBQ-UHFFFAOYSA-N -1 1 363.211 2.444 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C(F)(F)C1(O)CCC1 ZINC000765766493 680854511 /nfs/dbraw/zinc/85/45/11/680854511.db2.gz YGYXXUGCMBFYLA-UHFFFAOYSA-N -1 1 350.159 2.321 20 10 FECDMM CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836571919 680485201 /nfs/dbraw/zinc/48/52/01/680485201.db2.gz CHXCGZLLAOCXJF-ZWNOBZJWSA-N -1 1 373.247 2.005 20 10 FECDMM CCc1noc(C)c1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771727288 681066976 /nfs/dbraw/zinc/06/69/76/681066976.db2.gz WMXUHOIAVPPVNM-UHFFFAOYSA-N -1 1 364.383 2.340 20 10 FECDMM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775649322 681321562 /nfs/dbraw/zinc/32/15/62/681321562.db2.gz OFEJBGMTISNXLB-UHFFFAOYSA-N -1 1 364.870 2.479 20 10 FECDMM CN1CCc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc21 ZINC000775990944 681355381 /nfs/dbraw/zinc/35/53/81/681355381.db2.gz DHBNTVZWLGTYGT-UHFFFAOYSA-N -1 1 361.423 2.008 20 10 FECDMM COC(=O)C[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781914013 681988756 /nfs/dbraw/zinc/98/87/56/681988756.db2.gz VZTBFUALYFIWQT-GFCCVEGCSA-N -1 1 358.232 2.227 20 10 FECDMM O=C(CCCNC(=O)c1ccsc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782095749 682006127 /nfs/dbraw/zinc/00/61/27/682006127.db2.gz ASZAPHZGRZEUFW-UHFFFAOYSA-N -1 1 363.391 2.095 20 10 FECDMM O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc([O-])c(O)c1 ZINC000784872474 682257434 /nfs/dbraw/zinc/25/74/34/682257434.db2.gz FNKRSMBZXRBPJJ-HNNXBMFYSA-N -1 1 350.754 2.081 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2cc(F)ccc2F)CC1 ZINC000789992838 682644029 /nfs/dbraw/zinc/64/40/29/682644029.db2.gz PBFNGMRAZZAYGR-UHFFFAOYSA-N -1 1 352.312 2.478 20 10 FECDMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789993162 682644093 /nfs/dbraw/zinc/64/40/93/682644093.db2.gz SPLSZYHUACFQPH-LBPRGKRZSA-N -1 1 364.760 2.426 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000792701924 682828918 /nfs/dbraw/zinc/82/89/18/682828918.db2.gz HVWGNPHCUKILKI-UHFFFAOYSA-N -1 1 366.420 2.246 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C ZINC000797820209 683276387 /nfs/dbraw/zinc/27/63/87/683276387.db2.gz LNFUMOKXXREHDH-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000799917508 683510913 /nfs/dbraw/zinc/51/09/13/683510913.db2.gz RRNIZPMBMFHHLU-UHFFFAOYSA-N -1 1 370.452 2.258 20 10 FECDMM CC1CCN(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1 ZINC000911360047 685203070 /nfs/dbraw/zinc/20/30/70/685203070.db2.gz MMCWYFKNNQXAOC-UHFFFAOYSA-N -1 1 354.834 2.191 20 10 FECDMM CC[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369503 685204329 /nfs/dbraw/zinc/20/43/29/685204329.db2.gz TVXYTVYGIVZYTQ-KGLIPLIRSA-N -1 1 354.834 2.237 20 10 FECDMM O=C(NCCc1cn2c(n1)SCC2)NCc1cccc(Cl)c1[O-] ZINC000894257778 689495787 /nfs/dbraw/zinc/49/57/87/689495787.db2.gz CREOUURMNRVMQI-UHFFFAOYSA-N -1 1 352.847 2.390 20 10 FECDMM Cn1nccc1[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895215967 689677956 /nfs/dbraw/zinc/67/79/56/689677956.db2.gz UJXOWQZOZCWAGN-IUODEOHRSA-N -1 1 364.833 2.499 20 10 FECDMM C[C@H](Sc1nncn1C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427094 550669297 /nfs/dbraw/zinc/66/92/97/550669297.db2.gz DHONZDXBOVMLHX-QMMMGPOBSA-N -1 1 371.260 2.080 20 10 FECDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H]1OC ZINC000277481307 550675711 /nfs/dbraw/zinc/67/57/11/550675711.db2.gz PSJRQMOYPWXPGB-YRGRVCCFSA-N -1 1 373.247 2.146 20 10 FECDMM CC(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])N1CCCC1=O ZINC000277492911 550676943 /nfs/dbraw/zinc/67/69/43/550676943.db2.gz JMYLDVGRWLTOBP-CQSZACIVSA-N -1 1 369.259 2.418 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1[O-] ZINC000285474261 551761846 /nfs/dbraw/zinc/76/18/46/551761846.db2.gz CGRKXBSJNBESQR-AWEZNQCLSA-N -1 1 374.890 2.104 20 10 FECDMM CCOC[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000296066365 553099083 /nfs/dbraw/zinc/09/90/83/553099083.db2.gz GKLPKXXOZSYYPD-JTQLQIEISA-N -1 1 366.277 2.247 20 10 FECDMM NC(=O)c1cccnc1N1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000371419631 557180060 /nfs/dbraw/zinc/18/00/60/557180060.db2.gz OBAHZZFCJKQTRB-UHFFFAOYSA-N -1 1 360.845 2.252 20 10 FECDMM COc1c(O)c(C[NH+]2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000373907994 557784367 /nfs/dbraw/zinc/78/43/67/557784367.db2.gz SJOZHAXGGSBVFR-UHFFFAOYSA-N -1 1 366.414 2.469 20 10 FECDMM CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2c([O-])cccc2Cl)cn1 ZINC000377839642 558432536 /nfs/dbraw/zinc/43/25/36/558432536.db2.gz KXEGHZOCUJFKKX-HNNXBMFYSA-N -1 1 369.874 2.234 20 10 FECDMM COc1nnccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000808901261 674475113 /nfs/dbraw/zinc/47/51/13/674475113.db2.gz BQWJUAXBKMWYAJ-UHFFFAOYSA-N -1 1 353.176 2.275 20 10 FECDMM CCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809736358 674507849 /nfs/dbraw/zinc/50/78/49/674507849.db2.gz QJMNMSJBQSJYGV-UHFFFAOYSA-N -1 1 350.843 2.088 20 10 FECDMM NC(=O)CCNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000816619962 675069099 /nfs/dbraw/zinc/06/90/99/675069099.db2.gz CEZZAORNYHMFSA-UHFFFAOYSA-N -1 1 365.792 2.402 20 10 FECDMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1Cl ZINC000821119643 675415429 /nfs/dbraw/zinc/41/54/29/675415429.db2.gz WBMRJNUTWAOMGG-UHFFFAOYSA-N -1 1 361.828 2.250 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2n[nH]cc2C1 ZINC000764796503 680821409 /nfs/dbraw/zinc/82/14/09/680821409.db2.gz FLVGIPNNAAOBPJ-LLVKDONJSA-N -1 1 365.231 2.235 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])NOCc1cccnc1 ZINC000764802030 680821536 /nfs/dbraw/zinc/82/15/36/680821536.db2.gz XFCLSSLCOSFHSW-UHFFFAOYSA-N -1 1 352.188 2.481 20 10 FECDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc3nonc32)cc1OC ZINC000765074169 680829889 /nfs/dbraw/zinc/82/98/89/680829889.db2.gz CWYXRDIQPCHRBI-UHFFFAOYSA-N -1 1 353.331 2.180 20 10 FECDMM COc1cc(NC(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000765317848 680839401 /nfs/dbraw/zinc/83/94/01/680839401.db2.gz DOKBKRRMSTXUCI-UHFFFAOYSA-N -1 1 353.176 2.275 20 10 FECDMM Cc1cn2ccnc(C(=O)NCc3cccc(Br)c3[O-])c2n1 ZINC000765747039 680853807 /nfs/dbraw/zinc/85/38/07/680853807.db2.gz KGAJHSFZJMSHLO-UHFFFAOYSA-N -1 1 361.199 2.436 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nccn2C1 ZINC000765763608 680854440 /nfs/dbraw/zinc/85/44/40/680854440.db2.gz FGNHTMOUJWFYLX-NSHDSACASA-N -1 1 350.216 2.230 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccsc1 ZINC000765928196 680859589 /nfs/dbraw/zinc/85/95/89/680859589.db2.gz WECMTFXLVAVNSF-UHFFFAOYSA-N -1 1 355.213 2.471 20 10 FECDMM CC1(C)C[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000834886219 680279968 /nfs/dbraw/zinc/27/99/68/680279968.db2.gz ALIQFOOTNJCHOD-SNVBAGLBSA-N -1 1 367.427 2.486 20 10 FECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000760361917 680684163 /nfs/dbraw/zinc/68/41/63/680684163.db2.gz XEPJFFKWQIHDQU-UHFFFAOYSA-N -1 1 359.400 2.044 20 10 FECDMM CC(C)Oc1ncccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769712711 680992393 /nfs/dbraw/zinc/99/23/93/680992393.db2.gz WYCFWWADFDDFSE-UHFFFAOYSA-N -1 1 365.411 2.198 20 10 FECDMM COc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1F ZINC000771522570 681058240 /nfs/dbraw/zinc/05/82/40/681058240.db2.gz HXPHWVQREXCOAX-UHFFFAOYSA-N -1 1 354.359 2.164 20 10 FECDMM CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1(=O)=O ZINC000775091109 681274272 /nfs/dbraw/zinc/27/42/72/681274272.db2.gz XCNCWBXZKOPWSW-UHFFFAOYSA-N -1 1 372.443 2.098 20 10 FECDMM O=C(COC(=O)c1ccncc1Br)c1ccc([O-])c(O)c1 ZINC000784166828 682204273 /nfs/dbraw/zinc/20/42/73/682204273.db2.gz DWZFRIJZNHUPTB-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM Cc1nn(CC(F)(F)F)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784182516 682204908 /nfs/dbraw/zinc/20/49/08/682204908.db2.gz RBMCTDZKTGBYNE-UHFFFAOYSA-N -1 1 358.272 2.205 20 10 FECDMM CCc1ccnc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000796125124 683131043 /nfs/dbraw/zinc/13/10/43/683131043.db2.gz OVWSWTRDLUEWCK-UHFFFAOYSA-N -1 1 360.395 2.438 20 10 FECDMM COCCN1C(=O)C(=CNc2cccc3ccccc32)C(=O)[N-]C1=S ZINC000920974382 683383598 /nfs/dbraw/zinc/38/35/98/683383598.db2.gz JSBAPLRBRJVCHB-SDNWHVSQSA-N -1 1 355.419 2.025 20 10 FECDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1 ZINC000799122788 683424223 /nfs/dbraw/zinc/42/42/23/683424223.db2.gz HCKDSHHLRVVDIY-UHFFFAOYSA-N -1 1 367.383 2.418 20 10 FECDMM CCO[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000867831414 684403975 /nfs/dbraw/zinc/40/39/75/684403975.db2.gz YJXRBXPJPVGWLH-BXUZGUMPSA-N -1 1 358.232 2.213 20 10 FECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccnn1C ZINC000869179501 684590749 /nfs/dbraw/zinc/59/07/49/684590749.db2.gz FEIICVNBJMRREB-SECBINFHSA-N -1 1 353.220 2.449 20 10 FECDMM CN(C)C(=O)Cn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883037763 687551577 /nfs/dbraw/zinc/55/15/77/687551577.db2.gz KUUPYXUGMXQQQF-UHFFFAOYSA-N -1 1 371.210 2.191 20 10 FECDMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000894893199 689615019 /nfs/dbraw/zinc/61/50/19/689615019.db2.gz FLWGTXAZKIFGKI-DZKIICNBSA-N -1 1 365.861 2.492 20 10 FECDMM COC(=O)[C@@]1(OC)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895392878 689708914 /nfs/dbraw/zinc/70/89/14/689708914.db2.gz UKLQTFCOHZKBQS-CQSZACIVSA-N -1 1 362.195 2.058 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)n(C)c1 ZINC000901917700 690713946 /nfs/dbraw/zinc/71/39/46/690713946.db2.gz VCGVYKGYPHCLEY-UHFFFAOYSA-N -1 1 352.412 2.243 20 10 FECDMM COC1(CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)CCOCC1 ZINC000901962213 690721602 /nfs/dbraw/zinc/72/16/02/690721602.db2.gz CLCHZGAUDXTEFE-UHFFFAOYSA-N -1 1 353.799 2.122 20 10 FECDMM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327959 691660149 /nfs/dbraw/zinc/66/01/49/691660149.db2.gz LKGDMWZFKRPSGO-AAEUAGOBSA-N -1 1 361.847 2.197 20 10 FECDMM CNC(=O)CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000800544918 674061437 /nfs/dbraw/zinc/06/14/37/674061437.db2.gz RNSXVGBCLNOZSN-UHFFFAOYSA-N -1 1 365.792 2.273 20 10 FECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1 ZINC000277309839 550654775 /nfs/dbraw/zinc/65/47/75/550654775.db2.gz CQTSRTFFSJREJN-VIFPVBQESA-N -1 1 353.220 2.449 20 10 FECDMM COCCCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277551864 550683621 /nfs/dbraw/zinc/68/36/21/550683621.db2.gz YZJNRJWTZQABRW-UHFFFAOYSA-N -1 1 352.250 2.001 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)ccc1O ZINC000822209784 607342254 /nfs/dbraw/zinc/34/22/54/607342254.db2.gz WZSFYCLBGLSPDU-UHFFFAOYSA-N -1 1 365.802 2.335 20 10 FECDMM COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](CC(=O)[O-])C2)c1O ZINC000831354288 601375671 /nfs/dbraw/zinc/37/56/71/601375671.db2.gz XVUNFYPTBHTTNM-ZDUSSCGKSA-N -1 1 359.378 2.008 20 10 FECDMM CCc1nn(Cc2ccc(N(C)CC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518182 606171613 /nfs/dbraw/zinc/17/16/13/606171613.db2.gz QOEIWQORZYMPTK-UHFFFAOYSA-N -1 1 367.457 2.053 20 10 FECDMM NS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048794786 670273499 /nfs/dbraw/zinc/27/34/99/670273499.db2.gz UWYAGYICQGCBGC-UHFFFAOYSA-N -1 1 357.229 2.414 20 10 FECDMM CCc1cc(=O)[n-]c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000188104538 672583325 /nfs/dbraw/zinc/58/33/25/672583325.db2.gz QROLEKOKIHBWBF-UHFFFAOYSA-N -1 1 360.483 2.149 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1OC ZINC000739667261 673633875 /nfs/dbraw/zinc/63/38/75/673633875.db2.gz LEPDHNKJJKFAFM-UHFFFAOYSA-N -1 1 365.363 2.011 20 10 FECDMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000740705903 673651242 /nfs/dbraw/zinc/65/12/42/673651242.db2.gz PDXQDXOPUXKDSC-UHFFFAOYSA-N -1 1 351.380 2.137 20 10 FECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCSc1nccs1 ZINC000823624697 675564154 /nfs/dbraw/zinc/56/41/54/675564154.db2.gz FCRSIMNAVAQWAS-UHFFFAOYSA-N -1 1 364.416 2.221 20 10 FECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCSc1nccs1 ZINC000823624697 675564155 /nfs/dbraw/zinc/56/41/55/675564155.db2.gz FCRSIMNAVAQWAS-UHFFFAOYSA-N -1 1 364.416 2.221 20 10 FECDMM COC(=O)c1cn([C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000761226268 680715571 /nfs/dbraw/zinc/71/55/71/680715571.db2.gz NPKKMHWQQWDMEW-LLVKDONJSA-N -1 1 354.769 2.010 20 10 FECDMM CCc1cc(CNC(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000764785156 680821131 /nfs/dbraw/zinc/82/11/31/680821131.db2.gz SPSQZZRFPHWLRT-UHFFFAOYSA-N -1 1 353.220 2.440 20 10 FECDMM Cc1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765904179 680858916 /nfs/dbraw/zinc/85/89/16/680858916.db2.gz PMKFFZMUSLFQKM-UHFFFAOYSA-N -1 1 370.228 2.175 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1F ZINC000747593988 679891926 /nfs/dbraw/zinc/89/19/26/679891926.db2.gz JWSXZVLCHFJVDG-UHFFFAOYSA-N -1 1 353.327 2.142 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(CC(F)(F)F)C2)c1[O-] ZINC000753823055 680318005 /nfs/dbraw/zinc/31/80/05/680318005.db2.gz QEDVEJSZJHZEDO-UHFFFAOYSA-N -1 1 350.724 2.412 20 10 FECDMM Cc1cc(Br)c([O-])c(CN(CCS(C)(=O)=O)C2CC2)c1 ZINC000781910031 681987680 /nfs/dbraw/zinc/98/76/80/681987680.db2.gz SZJYBUYRRBZCPD-UHFFFAOYSA-N -1 1 362.289 2.472 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCn2ccnc21 ZINC000836523901 680480262 /nfs/dbraw/zinc/48/02/62/680480262.db2.gz ONZYXBMMJAKIAD-LLVKDONJSA-N -1 1 351.204 2.295 20 10 FECDMM C[C@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2[O-])C1 ZINC000766200471 680869991 /nfs/dbraw/zinc/86/99/91/680869991.db2.gz LQUKHGUVZGRLLY-JTQLQIEISA-N -1 1 363.277 2.221 20 10 FECDMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(OC)c1 ZINC000769599500 680988575 /nfs/dbraw/zinc/98/85/75/680988575.db2.gz YBBMOXBLMIKPPT-UHFFFAOYSA-N -1 1 366.395 2.033 20 10 FECDMM Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]c1C(C)C ZINC000844151344 681042128 /nfs/dbraw/zinc/04/21/28/681042128.db2.gz PLXIEQDVIWZEHY-UHFFFAOYSA-N -1 1 352.416 2.171 20 10 FECDMM Cn1[n-]c(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nc1=O ZINC000779222032 681690024 /nfs/dbraw/zinc/69/00/24/681690024.db2.gz GDZVFXOKONMLJT-UHFFFAOYSA-N -1 1 358.423 2.148 20 10 FECDMM CCOC(=O)[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781913406 681988737 /nfs/dbraw/zinc/98/87/37/681988737.db2.gz UFDSXSXLNYUQRY-CYBMUJFWSA-N -1 1 358.232 2.227 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000851781221 682132947 /nfs/dbraw/zinc/13/29/47/682132947.db2.gz QVZUKOOQHNBXHR-LBPRGKRZSA-N -1 1 366.439 2.480 20 10 FECDMM O=C(NCCc1csc(N2CCCC2)n1)c1c(F)ccc(O)c1[O-] ZINC000789978840 682642670 /nfs/dbraw/zinc/64/26/70/682642670.db2.gz OISULJACCXCEAI-UHFFFAOYSA-N -1 1 351.403 2.266 20 10 FECDMM O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000857273538 682871915 /nfs/dbraw/zinc/87/19/15/682871915.db2.gz XPLAYXXRMUHVPF-VIFPVBQESA-N -1 1 350.312 2.241 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)ccc1O ZINC000797819793 683276157 /nfs/dbraw/zinc/27/61/57/683276157.db2.gz SSVAEBKHLYZHDW-UHFFFAOYSA-N -1 1 350.396 2.184 20 10 FECDMM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000799519869 683464384 /nfs/dbraw/zinc/46/43/84/683464384.db2.gz XXQYBMUPXJIUTM-UHFFFAOYSA-N -1 1 371.212 2.054 20 10 FECDMM Cc1cc(C(=O)N2CCN(Cc3ccc(F)c(F)c3[O-])[C@H](C)C2)n[nH]1 ZINC000877578276 686414792 /nfs/dbraw/zinc/41/47/92/686414792.db2.gz BADHSNQAKSRXNK-LLVKDONJSA-N -1 1 350.369 2.048 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(c2cccnn2)CC1 ZINC000894438122 689532171 /nfs/dbraw/zinc/53/21/71/689532171.db2.gz BRVIWWLGMABLDN-UHFFFAOYSA-N -1 1 361.833 2.304 20 10 FECDMM O=C1OCCN1[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895250615 689684489 /nfs/dbraw/zinc/68/44/89/689684489.db2.gz ASVIWGPPVGQXHE-LLVKDONJSA-N -1 1 359.195 2.320 20 10 FECDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Cl)c1O ZINC000908326309 691660168 /nfs/dbraw/zinc/66/01/68/691660168.db2.gz AAZLSEBMKWYFTC-FQEVSTJZSA-N -1 1 354.881 2.276 20 10 FECDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000080610360 542597329 /nfs/dbraw/zinc/59/73/29/542597329.db2.gz KRXCGDYENZURSR-UHFFFAOYSA-N -1 1 350.419 2.348 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1[O-] ZINC000134359995 544304778 /nfs/dbraw/zinc/30/47/78/544304778.db2.gz IWLKTXMUYITNST-AWEZNQCLSA-N -1 1 374.890 2.150 20 10 FECDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H]1OC ZINC000277481303 550675879 /nfs/dbraw/zinc/67/58/79/550675879.db2.gz PSJRQMOYPWXPGB-OUCADQQQSA-N -1 1 373.247 2.146 20 10 FECDMM CC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000277513198 550679599 /nfs/dbraw/zinc/67/95/99/550679599.db2.gz LAAGHUOOZAUVJT-CQSZACIVSA-N -1 1 369.259 2.466 20 10 FECDMM CN(C(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000294792669 552934710 /nfs/dbraw/zinc/93/47/10/552934710.db2.gz AYIMKQBDWQJUOZ-SNVBAGLBSA-N -1 1 354.378 2.318 20 10 FECDMM CC(C)c1nc(CNC(=O)NCc2cccc(Br)c2O)n[nH]1 ZINC000298110710 553385564 /nfs/dbraw/zinc/38/55/64/553385564.db2.gz MUNXVDAIHGSQIA-UHFFFAOYSA-N -1 1 368.235 2.396 20 10 FECDMM CC(C)c1nnc(CNC(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000298110710 553385566 /nfs/dbraw/zinc/38/55/66/553385566.db2.gz MUNXVDAIHGSQIA-UHFFFAOYSA-N -1 1 368.235 2.396 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000370174995 556802774 /nfs/dbraw/zinc/80/27/74/556802774.db2.gz SBMLIRDLFWAQGG-UHFFFAOYSA-N -1 1 364.448 2.201 20 10 FECDMM CCn1nc2c(cc1=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000371328596 557148330 /nfs/dbraw/zinc/14/83/30/557148330.db2.gz XEJNWWKYRMZEKE-UHFFFAOYSA-N -1 1 364.789 2.089 20 10 FECDMM C[C@H](OCC(=O)NCc1cccc(Br)c1[O-])c1nccn1C ZINC000807416287 674415042 /nfs/dbraw/zinc/41/50/42/674415042.db2.gz BRXDDQNRUMBCBG-JTQLQIEISA-N -1 1 368.231 2.282 20 10 FECDMM Cc1cc(NC(=O)CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000738420587 600142928 /nfs/dbraw/zinc/14/29/28/600142928.db2.gz BVXZNYRBOOJDRK-UHFFFAOYSA-N -1 1 367.789 2.257 20 10 FECDMM Cc1cc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000738420587 600142932 /nfs/dbraw/zinc/14/29/32/600142932.db2.gz BVXZNYRBOOJDRK-UHFFFAOYSA-N -1 1 367.789 2.257 20 10 FECDMM O=C([O-])Nc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000832842144 603540742 /nfs/dbraw/zinc/54/07/42/603540742.db2.gz OMYQRIPAFSBJGU-UHFFFAOYSA-N -1 1 360.389 2.437 20 10 FECDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253475 606525153 /nfs/dbraw/zinc/52/51/53/606525153.db2.gz JEPZTFPFCIHNTK-UHFFFAOYSA-N -1 1 354.439 2.458 20 10 FECDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253475 606525155 /nfs/dbraw/zinc/52/51/55/606525155.db2.gz JEPZTFPFCIHNTK-UHFFFAOYSA-N -1 1 354.439 2.458 20 10 FECDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1O ZINC000811705586 674621594 /nfs/dbraw/zinc/62/15/94/674621594.db2.gz WJUKOKDGOZUSOU-UHFFFAOYSA-N -1 1 364.423 2.217 20 10 FECDMM CC(C)CN1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765766881 680854609 /nfs/dbraw/zinc/85/46/09/680854609.db2.gz DIEOANLKKAHLTI-LBPRGKRZSA-N -1 1 369.259 2.275 20 10 FECDMM COc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000774907136 681248963 /nfs/dbraw/zinc/24/89/63/681248963.db2.gz JROJIBQATBEGRY-UHFFFAOYSA-N -1 1 368.386 2.472 20 10 FECDMM CCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C(C)(C)C1=O ZINC000775088356 681274012 /nfs/dbraw/zinc/27/40/12/681274012.db2.gz HWMIPKOXCFXRAV-UHFFFAOYSA-N -1 1 351.403 2.142 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1C ZINC000775291137 681293567 /nfs/dbraw/zinc/29/35/67/681293567.db2.gz AJTNOHONSHJCML-UHFFFAOYSA-N -1 1 352.412 2.243 20 10 FECDMM O=C(COC(=O)c1cc[nH]c(=O)c1Br)c1ccc([O-])c(O)c1 ZINC000785031255 682267553 /nfs/dbraw/zinc/26/75/53/682267553.db2.gz HSVSAHFNFXYJIU-UHFFFAOYSA-N -1 1 368.139 2.001 20 10 FECDMM CC[C@@H](C)n1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000791571340 682751342 /nfs/dbraw/zinc/75/13/42/682751342.db2.gz ACYZFYMBUGQJJY-SNVBAGLBSA-N -1 1 366.443 2.492 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1O ZINC000797820067 683276541 /nfs/dbraw/zinc/27/65/41/683276541.db2.gz DTWFJHLRISBSIX-UHFFFAOYSA-N -1 1 354.340 2.118 20 10 FECDMM CC(C)CN1C(=O)C(=CNCCc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920975868 683383981 /nfs/dbraw/zinc/38/39/81/683383981.db2.gz AFBMMZBIGJEDHD-NTEUORMPSA-N -1 1 365.886 2.255 20 10 FECDMM CC(C)CN1C(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)[N-]C1=S ZINC000920979413 683384842 /nfs/dbraw/zinc/38/48/42/683384842.db2.gz LSPCRFQGOCTJPE-OVCLIPMQSA-N -1 1 361.511 2.184 20 10 FECDMM O=C(NCCC[C@H]1CCOC1=O)NCc1cccc(Br)c1[O-] ZINC000873167708 685086702 /nfs/dbraw/zinc/08/67/02/685086702.db2.gz YRUMFYMNPSVVDN-JTQLQIEISA-N -1 1 371.231 2.297 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCC12OCCO2 ZINC000889523339 688785286 /nfs/dbraw/zinc/78/52/86/688785286.db2.gz HIVJGDKJYVKPIX-GFCCVEGCSA-N -1 1 371.231 2.250 20 10 FECDMM CCOC(=O)C1(CC(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890763143 688963278 /nfs/dbraw/zinc/96/32/78/688963278.db2.gz OYBWNFJJYXJDKV-UHFFFAOYSA-N -1 1 355.818 2.412 20 10 FECDMM O=C1NCCN1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893865900 689420001 /nfs/dbraw/zinc/42/00/01/689420001.db2.gz LHEWMZYHRSQLHW-UHFFFAOYSA-N -1 1 372.238 2.283 20 10 FECDMM C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895323668 689695773 /nfs/dbraw/zinc/69/57/73/689695773.db2.gz FVMOOVCBGQKJPL-GXFFZTMASA-N -1 1 350.640 2.126 20 10 FECDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602699 689742487 /nfs/dbraw/zinc/74/24/87/689742487.db2.gz BRBRKTWQWRBCFD-RWMBFGLXSA-N -1 1 355.866 2.343 20 10 FECDMM CC(C)(CNC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCCC1 ZINC000896018628 689807825 /nfs/dbraw/zinc/80/78/25/689807825.db2.gz DVDUJWAOBJHKGJ-UHFFFAOYSA-N -1 1 353.850 2.493 20 10 FECDMM CN(C)c1cnccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000801922652 674155382 /nfs/dbraw/zinc/15/53/82/674155382.db2.gz YRNVRRYELIXJDB-UHFFFAOYSA-N -1 1 365.231 2.359 20 10 FECDMM O=C(CCCNC(=O)c1c(F)ccc(O)c1[O-])N1Cc2ccccc2C1 ZINC000276629291 550579309 /nfs/dbraw/zinc/57/93/09/550579309.db2.gz SIVLGLJTJOPTGP-UHFFFAOYSA-N -1 1 358.369 2.289 20 10 FECDMM C[C@H](Cn1cccn1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277280909 550651117 /nfs/dbraw/zinc/65/11/17/550651117.db2.gz AVBULZZYIBGACL-SNVBAGLBSA-N -1 1 353.220 2.239 20 10 FECDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H]1OC ZINC000277481305 550675810 /nfs/dbraw/zinc/67/58/10/550675810.db2.gz PSJRQMOYPWXPGB-SCRDCRAPSA-N -1 1 373.247 2.146 20 10 FECDMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277591879 550688904 /nfs/dbraw/zinc/68/89/04/550688904.db2.gz SLRKLXGVOJABTN-VIFPVBQESA-N -1 1 357.248 2.322 20 10 FECDMM COc1c([O-])c(CN2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278571825 550800070 /nfs/dbraw/zinc/80/00/70/550800070.db2.gz CVWGVPQEVBLNDT-JTQLQIEISA-N -1 1 363.336 2.377 20 10 FECDMM CCOCc1nc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])no1 ZINC000291010565 552575863 /nfs/dbraw/zinc/57/58/63/552575863.db2.gz WUUPPEPPEZDYEK-VIFPVBQESA-N -1 1 352.347 2.079 20 10 FECDMM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295025929 552952289 /nfs/dbraw/zinc/95/22/89/552952289.db2.gz HUQOZSNVMMZXNZ-JTQLQIEISA-N -1 1 354.378 2.224 20 10 FECDMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000295403563 553000970 /nfs/dbraw/zinc/00/09/70/553000970.db2.gz ZRAAHSRIFLCLHM-UHFFFAOYSA-N -1 1 362.357 2.120 20 10 FECDMM O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1[O-] ZINC000296623489 553189400 /nfs/dbraw/zinc/18/94/00/553189400.db2.gz HGFSVJBDTRRYON-OAHLLOKOSA-N -1 1 374.412 2.258 20 10 FECDMM O=C([O-])NC[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740644449 602268565 /nfs/dbraw/zinc/26/85/65/602268565.db2.gz UCKRYSJCTTUVHU-CYBMUJFWSA-N -1 1 370.405 2.418 20 10 FECDMM COC(=O)C[C@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809773056 674509410 /nfs/dbraw/zinc/50/94/10/674509410.db2.gz IAWJZVHRLKMCBI-LBPRGKRZSA-N -1 1 358.232 2.227 20 10 FECDMM NC(=O)c1ccnc(NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000811840314 674632792 /nfs/dbraw/zinc/63/27/92/674632792.db2.gz WQQPEQVDILBGIK-UHFFFAOYSA-N -1 1 367.159 2.169 20 10 FECDMM Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828510620 675825895 /nfs/dbraw/zinc/82/58/95/675825895.db2.gz CTLFVXYZSMUIEL-LLVKDONJSA-N -1 1 350.346 2.273 20 10 FECDMM C[C@@H]1C[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000762286898 680746745 /nfs/dbraw/zinc/74/67/45/680746745.db2.gz FBFWWGABNUUDFC-ZJUUUORDSA-N -1 1 353.400 2.096 20 10 FECDMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC000762602069 680755462 /nfs/dbraw/zinc/75/54/62/680755462.db2.gz KBLKXXSUZCLRMU-UHFFFAOYSA-N -1 1 366.786 2.037 20 10 FECDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000764801284 680821548 /nfs/dbraw/zinc/82/15/48/680821548.db2.gz UEMAVROYVDZEOH-UHFFFAOYSA-N -1 1 373.247 2.150 20 10 FECDMM C[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])[S@@](C)=O ZINC000764801422 680821572 /nfs/dbraw/zinc/82/15/72/680821572.db2.gz VWLHBDGEKDTALX-GSDQLPOLSA-N -1 1 363.277 2.111 20 10 FECDMM Cn1ncc2cc(C(=O)NCc3cccc(Br)c3[O-])cnc21 ZINC000765728778 680852913 /nfs/dbraw/zinc/85/29/13/680852913.db2.gz NNHUBEVUDPQVHR-UHFFFAOYSA-N -1 1 361.199 2.366 20 10 FECDMM O=S1(=O)CCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000840955390 680857007 /nfs/dbraw/zinc/85/70/07/680857007.db2.gz UOGMPTNXAQGBLA-UHFFFAOYSA-N -1 1 362.854 2.185 20 10 FECDMM O=C([O-])C1C[NH+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000840998946 680859240 /nfs/dbraw/zinc/85/92/40/680859240.db2.gz GKNWLJMVDCLOOD-UHFFFAOYSA-N -1 1 365.021 2.434 20 10 FECDMM COC(=O)CCCNC(=S)NCc1cccc(Br)c1[O-] ZINC000765993716 680862738 /nfs/dbraw/zinc/86/27/38/680862738.db2.gz ZGHBXMLMBBFVHH-UHFFFAOYSA-N -1 1 361.261 2.072 20 10 FECDMM Cc1cc(N(C)C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769687904 680991428 /nfs/dbraw/zinc/99/14/28/680991428.db2.gz CIRSTWPRJHUWQF-UHFFFAOYSA-N -1 1 363.439 2.390 20 10 FECDMM COC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])c1ccnn1C ZINC000843429602 681003547 /nfs/dbraw/zinc/00/35/47/681003547.db2.gz HQDDOZASDZZGSJ-ZDUSSCGKSA-N -1 1 368.231 2.201 20 10 FECDMM COCCOCCN1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000844468532 681060923 /nfs/dbraw/zinc/06/09/23/681060923.db2.gz VGVTUTTZJQXBKF-UHFFFAOYSA-N -1 1 370.877 2.029 20 10 FECDMM O=C(COC(=O)c1csc(-c2ncccn2)n1)c1ccc([O-])c(O)c1 ZINC000783055499 682107532 /nfs/dbraw/zinc/10/75/32/682107532.db2.gz KBVFVPCZSKXIBH-UHFFFAOYSA-N -1 1 357.347 2.051 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2O)cc1C ZINC000851766233 682126581 /nfs/dbraw/zinc/12/65/81/682126581.db2.gz XBTZZJONBMDHCE-JTQLQIEISA-N -1 1 369.395 2.128 20 10 FECDMM COc1ccc(CC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000790065873 682653785 /nfs/dbraw/zinc/65/37/85/682653785.db2.gz XIXROPFJMORKAL-UHFFFAOYSA-N -1 1 351.200 2.417 20 10 FECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000790412153 682674874 /nfs/dbraw/zinc/67/48/74/682674874.db2.gz YOEXEAACFBTVNF-UHFFFAOYSA-N -1 1 373.427 2.298 20 10 FECDMM CCOCCn1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000857195587 682862990 /nfs/dbraw/zinc/86/29/90/682862990.db2.gz YMYUXGWPUWEZGD-UHFFFAOYSA-N -1 1 368.231 2.318 20 10 FECDMM COC(=O)[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)O1 ZINC000862486183 683595305 /nfs/dbraw/zinc/59/53/05/683595305.db2.gz ATOOLKUWCZBPJX-MFKMUULPSA-N -1 1 358.232 2.225 20 10 FECDMM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368773 685203762 /nfs/dbraw/zinc/20/37/62/685203762.db2.gz FVLANQBYDDLIPT-ZBFHGGJFSA-N -1 1 368.861 2.483 20 10 FECDMM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368773 685203767 /nfs/dbraw/zinc/20/37/67/685203767.db2.gz FVLANQBYDDLIPT-ZBFHGGJFSA-N -1 1 368.861 2.483 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nnc(C)n3C)CC2)c1[O-] ZINC000879191505 686764200 /nfs/dbraw/zinc/76/42/00/686764200.db2.gz QZWMJGFAVAPNCN-UHFFFAOYSA-N -1 1 363.849 2.007 20 10 FECDMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757942 688962553 /nfs/dbraw/zinc/96/25/53/688962553.db2.gz NQVALHUVQMREQS-AWEZNQCLSA-N -1 1 374.890 2.256 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000892498093 689204076 /nfs/dbraw/zinc/20/40/76/689204076.db2.gz BFIOKWPDMUTWSQ-JTQLQIEISA-N -1 1 351.756 2.481 20 10 FECDMM CC1(C)[C@@H](NCc2cc(Cl)cc(Br)c2[O-])CS1(=O)=O ZINC000895986637 689803498 /nfs/dbraw/zinc/80/34/98/689803498.db2.gz VOXXEAIWZMGQJN-JTQLQIEISA-N -1 1 368.680 2.473 20 10 FECDMM O=S(=O)(CCCF)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161827217 546133686 /nfs/dbraw/zinc/13/36/86/546133686.db2.gz XZUVWIPEPRHRBW-AWEZNQCLSA-N -1 1 364.870 2.289 20 10 FECDMM CC(=O)N1CCN(c2ccc(CNC(=O)c3c([O-])cccc3F)cc2)CC1 ZINC000190234499 548320416 /nfs/dbraw/zinc/32/04/16/548320416.db2.gz IYWYPZDWEJPICC-UHFFFAOYSA-N -1 1 371.412 2.130 20 10 FECDMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276508244 550578874 /nfs/dbraw/zinc/57/88/74/550578874.db2.gz AUJPFFKGEKHSAS-VIFPVBQESA-N -1 1 366.418 2.157 20 10 FECDMM Cc1cc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)nc(C(C)C)n1 ZINC000276757969 550592514 /nfs/dbraw/zinc/59/25/14/550592514.db2.gz WTLSQPLNKJQRAW-UHFFFAOYSA-N -1 1 374.416 2.421 20 10 FECDMM C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277658056 550697470 /nfs/dbraw/zinc/69/74/70/550697470.db2.gz YYYAUXSYYRMRJW-ZYHUDNBSSA-N -1 1 373.247 2.148 20 10 FECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000295353191 552992282 /nfs/dbraw/zinc/99/22/82/552992282.db2.gz VPSSGVGNTRMNES-UHFFFAOYSA-N -1 1 350.390 2.102 20 10 FECDMM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000371535233 557213424 /nfs/dbraw/zinc/21/34/24/557213424.db2.gz BVQOSFIRLYIYSM-HIFRSBDPSA-N -1 1 355.818 2.401 20 10 FECDMM COC(=O)c1cc2ccccc2c(CN2CCO[C@H](CC(=O)[O-])C2)c1O ZINC000831354287 601375450 /nfs/dbraw/zinc/37/54/50/601375450.db2.gz XVUNFYPTBHTTNM-CYBMUJFWSA-N -1 1 359.378 2.008 20 10 FECDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])n1C ZINC000816496386 675059880 /nfs/dbraw/zinc/05/98/80/675059880.db2.gz IAXWBKGPHKZYPQ-UHFFFAOYSA-N -1 1 367.199 2.210 20 10 FECDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000321308745 673040382 /nfs/dbraw/zinc/04/03/82/673040382.db2.gz QPCZWEWCVMZWIV-UHFFFAOYSA-N -1 1 352.755 2.416 20 10 FECDMM COc1cc(F)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC000326790351 673055318 /nfs/dbraw/zinc/05/53/18/673055318.db2.gz XAFZPONAIFXNKK-UHFFFAOYSA-N -1 1 371.342 2.048 20 10 FECDMM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825665595 675662790 /nfs/dbraw/zinc/66/27/90/675662790.db2.gz UPZHYDMGNZRERC-LLVKDONJSA-N -1 1 352.406 2.250 20 10 FECDMM COC(=O)c1cn([C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000762795270 680761829 /nfs/dbraw/zinc/76/18/29/680761829.db2.gz SKIOIEPXMVPNMO-LBPRGKRZSA-N -1 1 368.796 2.400 20 10 FECDMM C[C@]1(CCC(=O)NCc2cccc(Br)c2[O-])CCC(=O)N1 ZINC000765942486 680860478 /nfs/dbraw/zinc/86/04/78/680860478.db2.gz CORAOTLUKSUEPO-HNNXBMFYSA-N -1 1 355.232 2.220 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)o1 ZINC000748059577 679925504 /nfs/dbraw/zinc/92/55/04/679925504.db2.gz FXMBIXDQFPANBG-UHFFFAOYSA-N -1 1 366.439 2.309 20 10 FECDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1O ZINC000757658346 680530765 /nfs/dbraw/zinc/53/07/65/680530765.db2.gz YYZTZKPCPRSARH-UHFFFAOYSA-N -1 1 359.306 2.493 20 10 FECDMM Cc1nn2cc(S(=O)(=O)[N-]c3ccc(O)cc3F)cnc2c1Cl ZINC000758169565 680559204 /nfs/dbraw/zinc/55/92/04/680559204.db2.gz UAFHZXCVPGJZRE-UHFFFAOYSA-N -1 1 356.766 2.337 20 10 FECDMM CSc1ccncc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769954629 681001507 /nfs/dbraw/zinc/00/15/07/681001507.db2.gz RVUWEEHDZZGBQZ-UHFFFAOYSA-N -1 1 353.425 2.133 20 10 FECDMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(C(=O)OCC)c1 ZINC000844664110 681072886 /nfs/dbraw/zinc/07/28/86/681072886.db2.gz QMYLFAKVIXWIQP-AWEZNQCLSA-N -1 1 373.427 2.042 20 10 FECDMM Cc1noc(C)c1CSCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916608891 685526072 /nfs/dbraw/zinc/52/60/72/685526072.db2.gz UPVKYDQSIONVQE-UHFFFAOYSA-N -1 1 351.380 2.362 20 10 FECDMM O=C(COC(=O)[C@H](O)Cc1ccccc1Cl)c1ccc([O-])c(O)c1 ZINC000784872475 682257573 /nfs/dbraw/zinc/25/75/73/682257573.db2.gz FNKRSMBZXRBPJJ-OAHLLOKOSA-N -1 1 350.754 2.081 20 10 FECDMM COC[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000852449363 682280805 /nfs/dbraw/zinc/28/08/05/682280805.db2.gz UEVCXYACJNOIQM-NSHDSACASA-N -1 1 361.236 2.005 20 10 FECDMM COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852632697 682311770 /nfs/dbraw/zinc/31/17/70/682311770.db2.gz DYIBKTGORYQTJW-QGZVFWFLSA-N -1 1 355.818 2.402 20 10 FECDMM CC(C)(O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000790065519 682653682 /nfs/dbraw/zinc/65/36/82/682653682.db2.gz JDECTKZBMSEWQA-UHFFFAOYSA-N -1 1 364.423 2.243 20 10 FECDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)o1 ZINC000871197939 684795947 /nfs/dbraw/zinc/79/59/47/684795947.db2.gz AQQOXIGFVSPGLY-UHFFFAOYSA-N -1 1 364.423 2.218 20 10 FECDMM Cn1cc([C@@]2(CNC(=O)NCc3cccc(Cl)c3[O-])CCCO2)cn1 ZINC000898652845 690223716 /nfs/dbraw/zinc/22/37/16/690223716.db2.gz ZJQITHVMOQFTBB-KRWDZBQOSA-N -1 1 364.833 2.284 20 10 FECDMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327962 691660120 /nfs/dbraw/zinc/66/01/20/691660120.db2.gz LKGDMWZFKRPSGO-YPMHNXCESA-N -1 1 361.847 2.197 20 10 FECDMM O=S(=O)(C[C@@H]1COc2ccccc2O1)NCc1cccc(Cl)c1[O-] ZINC000908329151 691660553 /nfs/dbraw/zinc/66/05/53/691660553.db2.gz QGDPXFFUZRYMMM-LBPRGKRZSA-N -1 1 369.826 2.305 20 10 FECDMM Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n(C)n1 ZINC000265129820 550006632 /nfs/dbraw/zinc/00/66/32/550006632.db2.gz MQKOCRVCRWXKCH-INIZCTEOSA-N -1 1 358.442 2.054 20 10 FECDMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276608793 550579564 /nfs/dbraw/zinc/57/95/64/550579564.db2.gz SISXPDIGTKDLBF-NEPJUHHUSA-N -1 1 352.406 2.394 20 10 FECDMM COc1c([O-])c(CN2CCN(c3nc(C)cc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000278529234 550795621 /nfs/dbraw/zinc/79/56/21/550795621.db2.gz UOHSFTIPBFOUDO-UHFFFAOYSA-N -1 1 373.413 2.038 20 10 FECDMM Cn1[n-]cc2/c(=N\C(=O)NCc3c(O)ccc4c3CCCC4)ccnc1-2 ZINC000287628862 552027670 /nfs/dbraw/zinc/02/76/70/552027670.db2.gz NZYYUMHOWFKYBA-KQWNVCNZSA-N -1 1 351.410 2.248 20 10 FECDMM CN(C(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000294792668 552934684 /nfs/dbraw/zinc/93/46/84/552934684.db2.gz AYIMKQBDWQJUOZ-JTQLQIEISA-N -1 1 354.378 2.318 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000295867398 553069623 /nfs/dbraw/zinc/06/96/23/553069623.db2.gz YTUHOMPIPLOMHB-UHFFFAOYSA-N -1 1 367.764 2.364 20 10 FECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1cccnc1 ZINC000823504074 599380158 /nfs/dbraw/zinc/38/01/58/599380158.db2.gz LOQKRRKRAAFLCZ-IZZDOVSWSA-N -1 1 356.392 2.261 20 10 FECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1cccnc1 ZINC000823504074 599380159 /nfs/dbraw/zinc/38/01/59/599380159.db2.gz LOQKRRKRAAFLCZ-IZZDOVSWSA-N -1 1 356.392 2.261 20 10 FECDMM O=C([O-])c1cc2ccccc2c(CN2CCN(C(=O)C3CC3)CC2)c1O ZINC000740098553 600412375 /nfs/dbraw/zinc/41/23/75/600412375.db2.gz QQIJVVOGQYTWBX-UHFFFAOYSA-N -1 1 354.406 2.298 20 10 FECDMM CC(C)(NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000824020072 605294424 /nfs/dbraw/zinc/29/44/24/605294424.db2.gz AZEUVJQZMCSWGI-CYBMUJFWSA-N -1 1 369.849 2.172 20 10 FECDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1cccc(F)c1 ZINC000826256877 608013314 /nfs/dbraw/zinc/01/33/14/608013314.db2.gz DRPHNANJDKWPCF-UHFFFAOYSA-N -1 1 365.372 2.493 20 10 FECDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1cccc(F)c1 ZINC000826256877 608013315 /nfs/dbraw/zinc/01/33/15/608013315.db2.gz DRPHNANJDKWPCF-UHFFFAOYSA-N -1 1 365.372 2.493 20 10 FECDMM COCCC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCC1 ZINC000817099069 675097544 /nfs/dbraw/zinc/09/75/44/675097544.db2.gz XMBYLWBFJNQHKN-UHFFFAOYSA-N -1 1 367.427 2.272 20 10 FECDMM Cc1nc2cc(NC=C3C(=O)[N-]C(=S)N(CC(C)C)C3=O)ccc2o1 ZINC000255043151 672882648 /nfs/dbraw/zinc/88/26/48/672882648.db2.gz ZYKYJSUKPHWRMN-KPKJPENVSA-N -1 1 358.423 2.331 20 10 FECDMM CCCN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000839740434 680775831 /nfs/dbraw/zinc/77/58/31/680775831.db2.gz OFFSIDHOTDCUNR-LLVKDONJSA-N -1 1 355.232 2.029 20 10 FECDMM O=C(NCc1noc(C2CC2)n1)NCc1cccc(Br)c1[O-] ZINC000764799758 680821558 /nfs/dbraw/zinc/82/15/58/680821558.db2.gz LEVUDUKTIBASFX-UHFFFAOYSA-N -1 1 367.203 2.415 20 10 FECDMM NC(=O)c1cc(Cl)nnc1NCc1cccc(Br)c1[O-] ZINC000764934820 680824786 /nfs/dbraw/zinc/82/47/86/680824786.db2.gz NABVOBXUPPLRAL-UHFFFAOYSA-N -1 1 357.595 2.309 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2c[nH]nc2C1 ZINC000765728356 680852895 /nfs/dbraw/zinc/85/28/95/680852895.db2.gz INLUWPZQPDXUKW-SECBINFHSA-N -1 1 350.216 2.299 20 10 FECDMM CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753697 680854082 /nfs/dbraw/zinc/85/40/82/680854082.db2.gz PCWLZNWBXMENJR-ZDUSSCGKSA-N -1 1 369.259 2.418 20 10 FECDMM C[C@@H]1C[C@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000831286456 679960739 /nfs/dbraw/zinc/96/07/39/679960739.db2.gz BBAUNERCVDEMCI-MWLCHTKSSA-N -1 1 364.261 2.142 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000751316795 680167392 /nfs/dbraw/zinc/16/73/92/680167392.db2.gz BNSRXYFCTXAGAM-JTQLQIEISA-N -1 1 369.395 2.210 20 10 FECDMM Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000836784457 680513625 /nfs/dbraw/zinc/51/36/25/680513625.db2.gz DLPNQIREHPLUIR-NWDGAFQWSA-N -1 1 350.216 2.308 20 10 FECDMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169039 680558588 /nfs/dbraw/zinc/55/85/88/680558588.db2.gz KYMFZWYULDFNFW-UHFFFAOYSA-N -1 1 355.343 2.127 20 10 FECDMM CCCCN(C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766206985 680870189 /nfs/dbraw/zinc/87/01/89/680870189.db2.gz KYDMHYHYOQAMEE-UHFFFAOYSA-N -1 1 351.266 2.221 20 10 FECDMM COc1ccc(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769596932 680988526 /nfs/dbraw/zinc/98/85/26/680988526.db2.gz BESQRFPXHDWSAR-UHFFFAOYSA-N -1 1 350.396 2.333 20 10 FECDMM COc1cc(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769671258 680991038 /nfs/dbraw/zinc/99/10/38/680991038.db2.gz IKADIVHKJBHVGO-UHFFFAOYSA-N -1 1 354.359 2.164 20 10 FECDMM CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000771221055 681047365 /nfs/dbraw/zinc/04/73/65/681047365.db2.gz AWFUHBLRPKEMDJ-UHFFFAOYSA-N -1 1 365.342 2.325 20 10 FECDMM COc1c([O-])c(CN[C@@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775014823 681267665 /nfs/dbraw/zinc/26/76/65/681267665.db2.gz CSGVSWOQRXHDTD-LBPRGKRZSA-N -1 1 354.309 2.410 20 10 FECDMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776748450 681433218 /nfs/dbraw/zinc/43/32/18/681433218.db2.gz JGPUULWLTCKIQO-UHFFFAOYSA-N -1 1 355.437 2.295 20 10 FECDMM O=C(COC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1ccc([O-])c(O)c1 ZINC000784055118 682196816 /nfs/dbraw/zinc/19/68/16/682196816.db2.gz RBDFWOXURHCZBD-UHFFFAOYSA-N -1 1 353.233 2.324 20 10 FECDMM O=C(COC(=O)c1ccnc(Br)c1)c1ccc([O-])c(O)c1 ZINC000784158773 682203664 /nfs/dbraw/zinc/20/36/64/682203664.db2.gz OUQDNNURWRHDSN-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM O=C(NCC1(N2CCOCC2)CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789938499 682639555 /nfs/dbraw/zinc/63/95/55/682639555.db2.gz CJOJQIUUCYOCIB-UHFFFAOYSA-N -1 1 352.406 2.002 20 10 FECDMM Cc1ccc(C(=O)N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)s1 ZINC000790069707 682654176 /nfs/dbraw/zinc/65/41/76/682654176.db2.gz PIQXQAYHZHENLX-UHFFFAOYSA-N -1 1 364.398 2.205 20 10 FECDMM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Br)c(F)cc1[O-] ZINC000790740290 682698530 /nfs/dbraw/zinc/69/85/30/682698530.db2.gz WTXTYBDXIFHGML-MRVPVSSYSA-N -1 1 371.210 2.266 20 10 FECDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000793411533 682887530 /nfs/dbraw/zinc/88/75/30/682887530.db2.gz JWFWUHAWPHFIER-UHFFFAOYSA-N -1 1 365.407 2.434 20 10 FECDMM CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369505 685204521 /nfs/dbraw/zinc/20/45/21/685204521.db2.gz TVXYTVYGIVZYTQ-ZIAGYGMSSA-N -1 1 354.834 2.237 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1[O-] ZINC000879930848 686950018 /nfs/dbraw/zinc/95/00/18/686950018.db2.gz IDSNKASTNCPLAP-WCQYABFASA-N -1 1 357.859 2.115 20 10 FECDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])C1N=NC(=O)N1C ZINC000895172308 689670923 /nfs/dbraw/zinc/67/09/23/689670923.db2.gz SKOOBCWGIAUUIG-LURJTMIESA-N -1 1 361.627 2.493 20 10 FECDMM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000907758030 691554524 /nfs/dbraw/zinc/55/45/24/691554524.db2.gz LNMJBOIPDOUAGQ-WDEREUQCSA-N -1 1 356.216 2.360 20 10 FECDMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)cc21 ZINC000182493019 547502268 /nfs/dbraw/zinc/50/22/68/547502268.db2.gz JCADUKASVZVUTK-UHFFFAOYSA-N -1 1 352.799 2.132 20 10 FECDMM CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000269500713 550201989 /nfs/dbraw/zinc/20/19/89/550201989.db2.gz QQAAMBBOHJXUIU-JTQLQIEISA-N -1 1 367.298 2.460 20 10 FECDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)ccc(O)c1[O-] ZINC000276556547 550579154 /nfs/dbraw/zinc/57/91/54/550579154.db2.gz IPDBVZFSPPXMRL-UHFFFAOYSA-N -1 1 364.348 2.143 20 10 FECDMM CC(C)(C)OC(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277408637 550666687 /nfs/dbraw/zinc/66/66/87/550666687.db2.gz BXKQYSLORPUWHA-UHFFFAOYSA-N -1 1 359.220 2.296 20 10 FECDMM CC(=O)N[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000277513194 550679567 /nfs/dbraw/zinc/67/95/67/550679567.db2.gz LAAGHUOOZAUVJT-AWEZNQCLSA-N -1 1 369.259 2.466 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000295343557 552991071 /nfs/dbraw/zinc/99/10/71/552991071.db2.gz YCEOJXYMOCWOOL-SNVBAGLBSA-N -1 1 350.321 2.455 20 10 FECDMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(F)ccc(O)c1[O-] ZINC000295583151 553028765 /nfs/dbraw/zinc/02/87/65/553028765.db2.gz SFYKQLCMCWMSFL-CYBMUJFWSA-N -1 1 358.369 2.015 20 10 FECDMM NC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000375414094 558023356 /nfs/dbraw/zinc/02/33/56/558023356.db2.gz YLSPCPFKXKOYQV-RKDXNWHRSA-N -1 1 367.711 2.049 20 10 FECDMM NC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000375414094 558023358 /nfs/dbraw/zinc/02/33/58/558023358.db2.gz YLSPCPFKXKOYQV-RKDXNWHRSA-N -1 1 367.711 2.049 20 10 FECDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000808066745 674439630 /nfs/dbraw/zinc/43/96/30/674439630.db2.gz ZVVKAQXVNBKNQV-UHFFFAOYSA-N -1 1 355.437 2.377 20 10 FECDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821961530 599309450 /nfs/dbraw/zinc/30/94/50/599309450.db2.gz KBPDCLZQKQQZMV-JXMROGBWSA-N -1 1 367.481 2.414 20 10 FECDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821961530 599309452 /nfs/dbraw/zinc/30/94/52/599309452.db2.gz KBPDCLZQKQQZMV-JXMROGBWSA-N -1 1 367.481 2.414 20 10 FECDMM COc1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737099721 599425212 /nfs/dbraw/zinc/42/52/12/599425212.db2.gz PRYOQUQLHOGQGN-UHFFFAOYSA-N -1 1 351.414 2.351 20 10 FECDMM COc1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737099721 599425215 /nfs/dbraw/zinc/42/52/15/599425215.db2.gz PRYOQUQLHOGQGN-UHFFFAOYSA-N -1 1 351.414 2.351 20 10 FECDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000826511632 608235402 /nfs/dbraw/zinc/23/54/02/608235402.db2.gz YBYOQZJUQNEUAE-CQSZACIVSA-N -1 1 352.398 2.153 20 10 FECDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000826511632 608235403 /nfs/dbraw/zinc/23/54/03/608235403.db2.gz YBYOQZJUQNEUAE-CQSZACIVSA-N -1 1 352.398 2.153 20 10 FECDMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1=CC(=O)CS1 ZINC000826458074 609351666 /nfs/dbraw/zinc/35/16/66/609351666.db2.gz BGDBPFNLSAOBBK-UHFFFAOYSA-N -1 1 371.357 2.211 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000812736927 674695975 /nfs/dbraw/zinc/69/59/75/674695975.db2.gz QHZOTOMSIHYZPS-UHFFFAOYSA-N -1 1 361.423 2.290 20 10 FECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000044243111 670188312 /nfs/dbraw/zinc/18/83/12/670188312.db2.gz MFXJBQJPDBEHJE-UHFFFAOYSA-N -1 1 373.184 2.049 20 10 FECDMM O=C1[N-]C(=S)NC(=O)C1=CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000121043699 671941290 /nfs/dbraw/zinc/94/12/90/671941290.db2.gz TYXREEPQOJMSCV-OAHLLOKOSA-N -1 1 371.849 2.434 20 10 FECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000324586810 673046547 /nfs/dbraw/zinc/04/65/47/673046547.db2.gz HOJLMBQYYZSKDB-UHFFFAOYSA-N -1 1 372.742 2.453 20 10 FECDMM CCc1cnc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)s1 ZINC000826129081 675682765 /nfs/dbraw/zinc/68/27/65/675682765.db2.gz ZYPZSXRYETVNDX-UHFFFAOYSA-N -1 1 351.403 2.218 20 10 FECDMM CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828935415 675853257 /nfs/dbraw/zinc/85/32/57/675853257.db2.gz AQRUHBPXOSXFTG-WDEREUQCSA-N -1 1 354.378 2.224 20 10 FECDMM Cc1noc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764789361 680821152 /nfs/dbraw/zinc/82/11/52/680821152.db2.gz CVIUSTOJAOOJFC-SSDOTTSWSA-N -1 1 355.192 2.407 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2c[nH]nc2C1 ZINC000765728357 680852760 /nfs/dbraw/zinc/85/27/60/680852760.db2.gz INLUWPZQPDXUKW-VIFPVBQESA-N -1 1 350.216 2.299 20 10 FECDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000840915974 680852852 /nfs/dbraw/zinc/85/28/52/680852852.db2.gz UYUHVVPCUNRKML-UHFFFAOYSA-N -1 1 351.380 2.111 20 10 FECDMM Cc1nn(C)c(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000765736534 680853328 /nfs/dbraw/zinc/85/33/28/680853328.db2.gz NJTACCVYHPMGGI-UHFFFAOYSA-N -1 1 369.175 2.035 20 10 FECDMM Cc1cncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765902821 680858904 /nfs/dbraw/zinc/85/89/04/680858904.db2.gz DWAYDBMAUQMTJJ-UHFFFAOYSA-N -1 1 364.199 2.113 20 10 FECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)o1 ZINC000751316796 680167311 /nfs/dbraw/zinc/16/73/11/680167311.db2.gz BNSRXYFCTXAGAM-SNVBAGLBSA-N -1 1 369.395 2.210 20 10 FECDMM Cc1cc(Cl)ncc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770026068 681003380 /nfs/dbraw/zinc/00/33/80/681003380.db2.gz SVQYOHXFBOFSQE-UHFFFAOYSA-N -1 1 355.803 2.373 20 10 FECDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000849370449 681697617 /nfs/dbraw/zinc/69/76/17/681697617.db2.gz BTZJNCYDBWMZPU-UHFFFAOYSA-N -1 1 364.427 2.315 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000781912235 681988128 /nfs/dbraw/zinc/98/81/28/681988128.db2.gz ONHCGGVSRKMXFR-UHFFFAOYSA-N -1 1 362.289 2.472 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000781909280 681988150 /nfs/dbraw/zinc/98/81/50/681988150.db2.gz IQQBOEIISRMCGN-LBPRGKRZSA-N -1 1 355.232 2.490 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 ZINC000781914074 681988667 /nfs/dbraw/zinc/98/86/67/681988667.db2.gz YAHCRAGRDCGTEG-MNOVXSKESA-N -1 1 362.289 2.471 20 10 FECDMM O=C(COC(=O)c1ccc(Br)cn1)c1ccc([O-])c(O)c1 ZINC000783421485 682143522 /nfs/dbraw/zinc/14/35/22/682143522.db2.gz IKWJDZGQCDTFQD-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM COCCN1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC000787441046 682457343 /nfs/dbraw/zinc/45/73/43/682457343.db2.gz MLSNFNSSLQCAFU-UHFFFAOYSA-N -1 1 371.275 2.144 20 10 FECDMM CN(C)c1ccnc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000797640959 683262870 /nfs/dbraw/zinc/26/28/70/683262870.db2.gz BSWIRDMEYWDXGB-UHFFFAOYSA-N -1 1 366.219 2.332 20 10 FECDMM [O-]C1=[NH+]CCN1CCn1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000922590193 683750038 /nfs/dbraw/zinc/75/00/38/683750038.db2.gz KKMWLIGCZCHWAM-UHFFFAOYSA-N -1 1 353.785 2.019 20 10 FECDMM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1F ZINC000872443690 684949918 /nfs/dbraw/zinc/94/99/18/684949918.db2.gz YIXNJGBGCAKTDY-JOCHJYFZSA-N -1 1 365.496 2.122 20 10 FECDMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(Cl)c1[O-] ZINC000890756577 688962144 /nfs/dbraw/zinc/96/21/44/688962144.db2.gz FKLMPRWNPVIMDE-STQMWFEESA-N -1 1 364.829 2.227 20 10 FECDMM COCCN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H](C)C(N)=O ZINC000894006913 689448054 /nfs/dbraw/zinc/44/80/54/689448054.db2.gz ZERRSNZCDYMMHD-QMMMGPOBSA-N -1 1 365.655 2.130 20 10 FECDMM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1cccc(Cl)c1[O-] ZINC000900839964 690572617 /nfs/dbraw/zinc/57/26/17/690572617.db2.gz XWEOFEVPOZKFLJ-TZMCWYRMSA-N -1 1 355.818 2.363 20 10 FECDMM CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000805772143 674352956 /nfs/dbraw/zinc/35/29/56/674352956.db2.gz FOLBPZKTQPMKRZ-LLVKDONJSA-N -1 1 374.890 2.104 20 10 FECDMM CCc1ccc(C(=O)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000276616035 550579264 /nfs/dbraw/zinc/57/92/64/550579264.db2.gz QEUGAHYLVVTJNZ-UHFFFAOYSA-N -1 1 372.396 2.398 20 10 FECDMM COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133794 550752861 /nfs/dbraw/zinc/75/28/61/550752861.db2.gz CPNMZIZBOLWZHY-QMTHXVAHSA-N -1 1 364.320 2.444 20 10 FECDMM O=S(=O)(CC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000293099081 552788616 /nfs/dbraw/zinc/78/86/16/552788616.db2.gz NSMHMLYZBURNOJ-JTQLQIEISA-N -1 1 364.261 2.001 20 10 FECDMM CCCOc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(O)c1 ZINC000367433143 556047459 /nfs/dbraw/zinc/04/74/59/556047459.db2.gz UBVMSSWUVMJGDK-IBGZPJMESA-N -1 1 362.470 2.394 20 10 FECDMM CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2c([O-])cccc2Cl)cn1 ZINC000377839643 558432645 /nfs/dbraw/zinc/43/26/45/558432645.db2.gz KXEGHZOCUJFKKX-OAHLLOKOSA-N -1 1 369.874 2.234 20 10 FECDMM O=C([O-])NC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834222049 605559865 /nfs/dbraw/zinc/55/98/65/605559865.db2.gz XMHRMNWMWLSENC-OAHLLOKOSA-N -1 1 351.422 2.284 20 10 FECDMM CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000827563165 675765313 /nfs/dbraw/zinc/76/53/13/675765313.db2.gz YRRZJVJBRLJNIE-LLVKDONJSA-N -1 1 354.378 2.270 20 10 FECDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nn2c1OCCC2 ZINC000830529640 677045256 /nfs/dbraw/zinc/04/52/56/677045256.db2.gz NDTYFQDOQVNNNN-UHFFFAOYSA-N -1 1 366.215 2.372 20 10 FECDMM CN(C)C(=O)c1cc(NCc2cccc(Br)c2[O-])ccn1 ZINC000764935581 680824995 /nfs/dbraw/zinc/82/49/95/680824995.db2.gz YHBCWHMSGOJNGJ-UHFFFAOYSA-N -1 1 350.216 2.286 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCn2cncc2C1 ZINC000765726707 680852646 /nfs/dbraw/zinc/85/26/46/680852646.db2.gz JKAXYYNPOGFOCR-JTQLQIEISA-N -1 1 350.216 2.230 20 10 FECDMM Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753040 680854053 /nfs/dbraw/zinc/85/40/53/680854053.db2.gz NBGKHQVAHIYDIL-UHFFFAOYSA-N -1 1 354.160 2.331 20 10 FECDMM COC(=O)c1cncc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765765295 680854351 /nfs/dbraw/zinc/85/43/51/680854351.db2.gz RHETWFBLLSNTQI-UHFFFAOYSA-N -1 1 365.183 2.266 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H]2C2CC2)c1[O-] ZINC000831382245 679975091 /nfs/dbraw/zinc/97/50/91/679975091.db2.gz RMTWCJLNLMGSMJ-HNNXBMFYSA-N -1 1 357.859 2.257 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000750036563 680097301 /nfs/dbraw/zinc/09/73/01/680097301.db2.gz RDMWFIDPNCILQP-AWEZNQCLSA-N -1 1 374.890 2.152 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cnn(C)c3)CC2)c1[O-] ZINC000750041272 680097516 /nfs/dbraw/zinc/09/75/16/680097516.db2.gz BACIKHHXHMFREQ-UHFFFAOYSA-N -1 1 362.861 2.300 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1[O-] ZINC000832462232 680136824 /nfs/dbraw/zinc/13/68/24/680136824.db2.gz BMLIUQSJBQBKHJ-GJZGRUSLSA-N -1 1 357.859 2.400 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1[O-] ZINC000832462233 680136892 /nfs/dbraw/zinc/13/68/92/680136892.db2.gz BMLIUQSJBQBKHJ-HUUCEWRRSA-N -1 1 357.859 2.400 20 10 FECDMM COC(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000834476107 680232182 /nfs/dbraw/zinc/23/21/82/680232182.db2.gz NQXRUACCDGRBNU-UHFFFAOYSA-N -1 1 371.231 2.249 20 10 FECDMM COc1cc(F)c(F)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000753088803 680274379 /nfs/dbraw/zinc/27/43/79/680274379.db2.gz PZYFKUNTXWWHNO-UHFFFAOYSA-N -1 1 372.349 2.303 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc2n(n1)CCCC2 ZINC000836773556 680512381 /nfs/dbraw/zinc/51/23/81/680512381.db2.gz AOOOUZGMSNOFNK-UHFFFAOYSA-N -1 1 366.219 2.404 20 10 FECDMM Nc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766207581 680870320 /nfs/dbraw/zinc/87/03/20/680870320.db2.gz QASOPJGMFYEIBH-UHFFFAOYSA-N -1 1 357.229 2.215 20 10 FECDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc2n[nH]cc21 ZINC000767153053 680900824 /nfs/dbraw/zinc/90/08/24/680900824.db2.gz LDKRNZWCQGHIMV-UHFFFAOYSA-N -1 1 360.395 2.201 20 10 FECDMM CCOc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000769904953 680999973 /nfs/dbraw/zinc/99/99/73/680999973.db2.gz NLHZOFQJZAARDG-UHFFFAOYSA-N -1 1 364.423 2.439 20 10 FECDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1[O-] ZINC000848561876 681579043 /nfs/dbraw/zinc/57/90/43/681579043.db2.gz FCHQSPQELQWMHK-NSHDSACASA-N -1 1 353.766 2.213 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN(C2CC2)C1=O ZINC000935663389 681797005 /nfs/dbraw/zinc/79/70/05/681797005.db2.gz UBFGOSQCVLXBEB-GFCCVEGCSA-N -1 1 367.243 2.172 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)N(C)C)CC2)c1 ZINC000781896427 681986502 /nfs/dbraw/zinc/98/65/02/681986502.db2.gz KSVIVSIYRNMKDA-UHFFFAOYSA-N -1 1 356.264 2.262 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 ZINC000781914077 681988611 /nfs/dbraw/zinc/98/86/11/681988611.db2.gz YAHCRAGRDCGTEG-WDEREUQCSA-N -1 1 362.289 2.471 20 10 FECDMM CS(=O)(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C(F)(F)F ZINC000853530409 682428405 /nfs/dbraw/zinc/42/84/05/682428405.db2.gz JZFVRHCHOHOKHQ-UKRRQHHQSA-N -1 1 374.384 2.348 20 10 FECDMM Cc1cc2n[nH]cc2cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791051134 682720601 /nfs/dbraw/zinc/72/06/01/682720601.db2.gz AHBCKQWWEPRYKC-UHFFFAOYSA-N -1 1 360.395 2.201 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1O ZINC000797820018 683276279 /nfs/dbraw/zinc/27/62/79/683276279.db2.gz BTDODJNCOWKLAY-UHFFFAOYSA-N -1 1 362.407 2.431 20 10 FECDMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cc(Cl)cc(Cl)c1O ZINC000867270311 684236022 /nfs/dbraw/zinc/23/60/22/684236022.db2.gz NCEACFKTFWRYKQ-UHFFFAOYSA-N -1 1 373.283 2.295 20 10 FECDMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc(Cl)c1[O-] ZINC000890756576 688962170 /nfs/dbraw/zinc/96/21/70/688962170.db2.gz FKLMPRWNPVIMDE-CHWSQXEVSA-N -1 1 364.829 2.227 20 10 FECDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000890756774 688962581 /nfs/dbraw/zinc/96/25/81/688962581.db2.gz HMAKXMUKEDMDMW-RTXFEEFZSA-N -1 1 364.829 2.226 20 10 FECDMM O=C1NCCN1[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893967556 689439392 /nfs/dbraw/zinc/43/93/92/689439392.db2.gz OAUNYYWMEWZTRA-LBPRGKRZSA-N -1 1 372.238 2.283 20 10 FECDMM COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895138182 689665897 /nfs/dbraw/zinc/66/58/97/689665897.db2.gz SCCDEPGYWLPVOS-GHMZBOCLSA-N -1 1 350.640 2.390 20 10 FECDMM COCCN(CCC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000900843471 690573003 /nfs/dbraw/zinc/57/30/03/690573003.db2.gz MZMKQFYZCUTSRV-UHFFFAOYSA-N -1 1 357.378 2.057 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC000267025930 550026858 /nfs/dbraw/zinc/02/68/58/550026858.db2.gz CSFBZRBFYLRAIY-MRXNPFEDSA-N -1 1 366.845 2.071 20 10 FECDMM COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427163 550031812 /nfs/dbraw/zinc/03/18/12/550031812.db2.gz BOUOPBXQBMAKJH-OCCSQVGLSA-N -1 1 366.433 2.097 20 10 FECDMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276610190 550579316 /nfs/dbraw/zinc/57/93/16/550579316.db2.gz SISXPDIGTKDLBF-VXGBXAGGSA-N -1 1 352.406 2.394 20 10 FECDMM Cn1[n-]cc2/c(=N\C(=O)NCc3ccc4c(c3)CCCN4C)ccnc1-2 ZINC000286987661 551948579 /nfs/dbraw/zinc/94/85/79/551948579.db2.gz ALNFYVLIEJZRPO-KQWNVCNZSA-N -1 1 350.426 2.046 20 10 FECDMM CCCc1nc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)co1 ZINC000289050328 552258448 /nfs/dbraw/zinc/25/84/48/552258448.db2.gz HPRXWIHWBNLJEZ-UHFFFAOYSA-N -1 1 364.383 2.421 20 10 FECDMM COCC1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000290324936 552460765 /nfs/dbraw/zinc/46/07/65/552460765.db2.gz CAXRBKAUVDGPDD-UHFFFAOYSA-N -1 1 358.232 2.214 20 10 FECDMM CO[C@@](C)(c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)C1CC1 ZINC000810333536 674540632 /nfs/dbraw/zinc/54/06/32/674540632.db2.gz DOOUFAUPAZMPLU-OAHLLOKOSA-N -1 1 353.400 2.085 20 10 FECDMM NC(=O)CCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000814255566 674828524 /nfs/dbraw/zinc/82/85/24/674828524.db2.gz UNTNTZXYLHOYGB-UHFFFAOYSA-N -1 1 365.792 2.402 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3ncccc32)C(=O)[N-]C1=S ZINC000121023797 671940822 /nfs/dbraw/zinc/94/08/22/671940822.db2.gz VKQUHQQIKUHWSN-LCYFTJDESA-N -1 1 354.435 2.430 20 10 FECDMM CN(C)S(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000195315665 672782396 /nfs/dbraw/zinc/78/23/96/672782396.db2.gz JEPMDVLGSLUUAO-UHFFFAOYSA-N -1 1 359.810 2.442 20 10 FECDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2sccc2C1 ZINC000825438420 675653083 /nfs/dbraw/zinc/65/30/83/675653083.db2.gz SWVJCNROZLOQIE-JTQLQIEISA-N -1 1 350.415 2.475 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC000763674823 680789533 /nfs/dbraw/zinc/78/95/33/680789533.db2.gz ZHFQCBRMQFXKKT-NSHDSACASA-N -1 1 362.289 2.330 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000764678232 680818418 /nfs/dbraw/zinc/81/84/18/680818418.db2.gz LGRZZTSJOXMGTE-GFCCVEGCSA-N -1 1 362.289 2.472 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCn2ccnc2C1 ZINC000764806353 680821762 /nfs/dbraw/zinc/82/17/62/680821762.db2.gz OXNHJDQXUCFFLY-LLVKDONJSA-N -1 1 365.231 2.165 20 10 FECDMM NC(=O)[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748610 680853871 /nfs/dbraw/zinc/85/38/71/680853871.db2.gz XTPGPEFQLYBLFA-UWVGGRQHSA-N -1 1 355.232 2.063 20 10 FECDMM O=C(CCNC(=O)c1ccco1)NCc1cccc(Br)c1[O-] ZINC000765751274 680854037 /nfs/dbraw/zinc/85/40/37/680854037.db2.gz DFTUJBYCFRLESJ-UHFFFAOYSA-N -1 1 367.199 2.184 20 10 FECDMM O=C(CSc1nncs1)NCc1cccc(Br)c1[O-] ZINC000765751200 680854074 /nfs/dbraw/zinc/85/40/74/680854074.db2.gz RZRZEEHXMWDWJJ-UHFFFAOYSA-N -1 1 360.258 2.415 20 10 FECDMM NC(=O)c1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765754849 680854206 /nfs/dbraw/zinc/85/42/06/680854206.db2.gz XDTMUJDTECDKCF-UHFFFAOYSA-N -1 1 363.211 2.113 20 10 FECDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])C(=O)OC1(C)C ZINC000765758432 680854254 /nfs/dbraw/zinc/85/42/54/680854254.db2.gz WEUOSHCJMVOICQ-UHFFFAOYSA-N -1 1 354.200 2.423 20 10 FECDMM COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1[N-]S(C)(=O)=O ZINC000751532916 680185947 /nfs/dbraw/zinc/18/59/47/680185947.db2.gz GFRAKXJQRIFDTQ-UHFFFAOYSA-N -1 1 366.395 2.039 20 10 FECDMM C[C@H](Cc1cnn(C)c1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000836632951 680492557 /nfs/dbraw/zinc/49/25/57/680492557.db2.gz SIKZHJQZPZESTF-SNVBAGLBSA-N -1 1 367.247 2.319 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3cccs3)no2)c1 ZINC000758279797 680567704 /nfs/dbraw/zinc/56/77/04/680567704.db2.gz ZKFZEMLIQBOPEC-UHFFFAOYSA-N -1 1 351.409 2.466 20 10 FECDMM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846258477 681213174 /nfs/dbraw/zinc/21/31/74/681213174.db2.gz IUPLQSCGZRNUOT-JTQLQIEISA-N -1 1 358.320 2.296 20 10 FECDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776744109 681432496 /nfs/dbraw/zinc/43/24/96/681432496.db2.gz DTTWZYMXEZBSGV-UHFFFAOYSA-N -1 1 355.437 2.213 20 10 FECDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000778560533 681623822 /nfs/dbraw/zinc/62/38/22/681623822.db2.gz USICUSRCVNSRFS-UHFFFAOYSA-N -1 1 362.451 2.470 20 10 FECDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])c2ncnn21 ZINC000852476522 682287784 /nfs/dbraw/zinc/28/77/84/682287784.db2.gz IZAFWUALYIGQDY-LDYMZIIASA-N -1 1 366.219 2.251 20 10 FECDMM COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000852632696 682311823 /nfs/dbraw/zinc/31/18/23/682311823.db2.gz DYIBKTGORYQTJW-KRWDZBQOSA-N -1 1 355.818 2.402 20 10 FECDMM CC(=O)N[C@H](CC1CCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000787582735 682466434 /nfs/dbraw/zinc/46/64/34/682466434.db2.gz UZBNZPBNFHZMJR-CQSZACIVSA-N -1 1 369.259 2.466 20 10 FECDMM O=C(NCCNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Cl ZINC000789957886 682640598 /nfs/dbraw/zinc/64/05/98/682640598.db2.gz YOZHVZYDFPIERY-UHFFFAOYSA-N -1 1 352.749 2.050 20 10 FECDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000793349817 682883916 /nfs/dbraw/zinc/88/39/16/682883916.db2.gz XKQDZLBSARJOCS-UHFFFAOYSA-N -1 1 351.380 2.126 20 10 FECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1C ZINC000795305679 683037711 /nfs/dbraw/zinc/03/77/11/683037711.db2.gz XAFWLYWKRPTISE-UHFFFAOYSA-N -1 1 369.468 2.261 20 10 FECDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000795361799 683044960 /nfs/dbraw/zinc/04/49/60/683044960.db2.gz HFUIIHOHUMPJOX-UHFFFAOYSA-N -1 1 365.407 2.307 20 10 FECDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1C ZINC000797819769 683276145 /nfs/dbraw/zinc/27/61/45/683276145.db2.gz RRFZDIXJEMIWKU-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COCCN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)[N-]C1=S ZINC000920974391 683383420 /nfs/dbraw/zinc/38/34/20/683383420.db2.gz JZMOZMWXAJTGRX-VQHVLOKHSA-N -1 1 374.249 2.179 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868908184 684556815 /nfs/dbraw/zinc/55/68/15/684556815.db2.gz UNWJXTHXFYWGSF-AQUXLQGKSA-N -1 1 367.243 2.377 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000868908187 684556849 /nfs/dbraw/zinc/55/68/49/684556849.db2.gz UNWJXTHXFYWGSF-WCPYMQEGSA-N -1 1 367.243 2.377 20 10 FECDMM O=C(NCc1ccnc(N2CCSCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000881341458 687125502 /nfs/dbraw/zinc/12/55/02/687125502.db2.gz NCTSZJYUAXUAMX-UHFFFAOYSA-N -1 1 363.414 2.115 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CC2(CO1)CCOCC2 ZINC000896213118 689838897 /nfs/dbraw/zinc/83/88/97/689838897.db2.gz CAWJFHSRGSPFBT-CYBMUJFWSA-N -1 1 354.834 2.431 20 10 FECDMM CO[C@@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C1CCOCC1 ZINC000901963387 690722137 /nfs/dbraw/zinc/72/21/37/690722137.db2.gz RQIDVKNSRJLQFA-AWEZNQCLSA-N -1 1 367.826 2.368 20 10 FECDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Cl)c1O ZINC000908326310 691660140 /nfs/dbraw/zinc/66/01/40/691660140.db2.gz AAZLSEBMKWYFTC-HXUWFJFHSA-N -1 1 354.881 2.276 20 10 FECDMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)nc1 ZINC000276551685 550579117 /nfs/dbraw/zinc/57/91/17/550579117.db2.gz HWLFVRZJLUGCAY-LBPRGKRZSA-N -1 1 373.384 2.431 20 10 FECDMM CCOC(=O)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000278364359 550777453 /nfs/dbraw/zinc/77/74/53/550777453.db2.gz LVHAQYQGDVQXNH-UHFFFAOYSA-N -1 1 359.220 2.297 20 10 FECDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280717070 551024622 /nfs/dbraw/zinc/02/46/22/551024622.db2.gz HEVNBSIKJLWPPW-UHFFFAOYSA-N -1 1 354.406 2.070 20 10 FECDMM O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291851193 552668434 /nfs/dbraw/zinc/66/84/34/552668434.db2.gz HUKQNQNMFPOWTH-FVOPLDGLSA-N -1 1 372.343 2.028 20 10 FECDMM CC(C)(NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000824020073 605294326 /nfs/dbraw/zinc/29/43/26/605294326.db2.gz AZEUVJQZMCSWGI-ZDUSSCGKSA-N -1 1 369.849 2.172 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cnn2c1OCCC2 ZINC000816496845 675059919 /nfs/dbraw/zinc/05/99/19/675059919.db2.gz ZOPMDDGBXYADDO-UHFFFAOYSA-N -1 1 352.188 2.064 20 10 FECDMM COC(=O)c1cnc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000822498198 675488787 /nfs/dbraw/zinc/48/87/87/675488787.db2.gz VXGOLODMYDYJQM-QMMMGPOBSA-N -1 1 367.383 2.403 20 10 FECDMM COc1ncncc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765316272 680839394 /nfs/dbraw/zinc/83/93/94/680839394.db2.gz VQKMTZFMIBZVKO-UHFFFAOYSA-N -1 1 353.176 2.275 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2nccnc2c1 ZINC000765752953 680854078 /nfs/dbraw/zinc/85/40/78/680854078.db2.gz KICCHPYZSUTXOZ-UHFFFAOYSA-N -1 1 359.183 2.423 20 10 FECDMM CC(C)CN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765766879 680854565 /nfs/dbraw/zinc/85/45/65/680854565.db2.gz DIEOANLKKAHLTI-GFCCVEGCSA-N -1 1 369.259 2.275 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1[O-] ZINC000750040239 680097554 /nfs/dbraw/zinc/09/75/54/680097554.db2.gz FHKZTSVDZPNSEJ-UHFFFAOYSA-N -1 1 374.890 2.104 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCc2nn[nH]c21 ZINC000834476213 680232080 /nfs/dbraw/zinc/23/20/80/680232080.db2.gz RKGFZGARJRRTHB-VIFPVBQESA-N -1 1 351.204 2.009 20 10 FECDMM CC(C)CCn1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000768257092 680942158 /nfs/dbraw/zinc/94/21/58/680942158.db2.gz DWTVRKWLWZUCGM-UHFFFAOYSA-N -1 1 366.443 2.259 20 10 FECDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000775288110 681293105 /nfs/dbraw/zinc/29/31/05/681293105.db2.gz SZKDAIBZEZSBEO-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)cc1C ZINC000851758693 682123205 /nfs/dbraw/zinc/12/32/05/682123205.db2.gz JLIOEMFRLNNYSB-UHFFFAOYSA-N -1 1 370.402 2.058 20 10 FECDMM NC(=O)CNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000787793988 682479307 /nfs/dbraw/zinc/47/93/07/682479307.db2.gz GBOIUZAXYNLMQY-UHFFFAOYSA-N -1 1 351.765 2.012 20 10 FECDMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000788065254 682500654 /nfs/dbraw/zinc/50/06/54/682500654.db2.gz BNANSLMTJHEQCO-UHFFFAOYSA-N -1 1 374.415 2.292 20 10 FECDMM CCc1cc(O)ccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000790417080 682675298 /nfs/dbraw/zinc/67/52/98/682675298.db2.gz GRTYFTXYCXQANJ-UHFFFAOYSA-N -1 1 350.396 2.419 20 10 FECDMM NS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000792173808 682794029 /nfs/dbraw/zinc/79/40/29/682794029.db2.gz CVZYVFMVOHGSJT-UHFFFAOYSA-N -1 1 356.806 2.395 20 10 FECDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000793394231 682886586 /nfs/dbraw/zinc/88/65/86/682886586.db2.gz KEMKRJOWVVQNAV-UHFFFAOYSA-N -1 1 365.407 2.434 20 10 FECDMM COCCN1C(=O)C(=CNc2ccccc2C(C)(C)C)C(=O)[N-]C1=S ZINC000920975307 683384303 /nfs/dbraw/zinc/38/43/03/683384303.db2.gz CZHJOOALOIJROK-QXMHVHEDSA-N -1 1 361.467 2.170 20 10 FECDMM COC(=O)CC1CC(NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000924930285 684507556 /nfs/dbraw/zinc/50/75/56/684507556.db2.gz JIEVUXDTJSLAMR-UHFFFAOYSA-N -1 1 371.231 2.296 20 10 FECDMM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368772 685203607 /nfs/dbraw/zinc/20/36/07/685203607.db2.gz FVLANQBYDDLIPT-HOCLYGCPSA-N -1 1 368.861 2.483 20 10 FECDMM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368772 685203609 /nfs/dbraw/zinc/20/36/09/685203609.db2.gz FVLANQBYDDLIPT-HOCLYGCPSA-N -1 1 368.861 2.483 20 10 FECDMM O=C([O-])C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000911368979 685204098 /nfs/dbraw/zinc/20/40/98/685204098.db2.gz JMDPUMWWIOVEFP-AWEZNQCLSA-N -1 1 366.845 2.381 20 10 FECDMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760134 688963069 /nfs/dbraw/zinc/96/30/69/688963069.db2.gz JCWHGLVJKYRGLQ-UHFFFAOYSA-N -1 1 372.830 2.127 20 10 FECDMM COCCOc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000891910709 689125351 /nfs/dbraw/zinc/12/53/51/689125351.db2.gz HLZJLBZROZHRSJ-UHFFFAOYSA-N -1 1 365.817 2.465 20 10 FECDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000901703569 690681358 /nfs/dbraw/zinc/68/13/58/690681358.db2.gz IOYLUFQAKKJZKH-OAHLLOKOSA-N -1 1 351.424 2.400 20 10 FECDMM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327961 691660106 /nfs/dbraw/zinc/66/01/06/691660106.db2.gz LKGDMWZFKRPSGO-WCQYABFASA-N -1 1 361.847 2.197 20 10 FECDMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329584 691660511 /nfs/dbraw/zinc/66/05/11/691660511.db2.gz RXNXIJWDTJRCNT-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000055216266 540635906 /nfs/dbraw/zinc/63/59/06/540635906.db2.gz OKOFWEBZCVSNPE-UHFFFAOYSA-N -1 1 372.406 2.406 20 10 FECDMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276608795 550579485 /nfs/dbraw/zinc/57/94/85/550579485.db2.gz SISXPDIGTKDLBF-NWDGAFQWSA-N -1 1 352.406 2.394 20 10 FECDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000276639230 550580391 /nfs/dbraw/zinc/58/03/91/550580391.db2.gz USCILUGWYSFQHZ-SNVBAGLBSA-N -1 1 354.378 2.318 20 10 FECDMM CC(C)n1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277440062 550670737 /nfs/dbraw/zinc/67/07/37/550670737.db2.gz DTEAEWLHYSLTNY-UHFFFAOYSA-N -1 1 374.260 2.411 20 10 FECDMM CCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277550780 550683473 /nfs/dbraw/zinc/68/34/73/550683473.db2.gz OFTVSZLBGRBQMH-NSHDSACASA-N -1 1 373.272 2.082 20 10 FECDMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277591877 550688865 /nfs/dbraw/zinc/68/88/65/550688865.db2.gz SLRKLXGVOJABTN-SECBINFHSA-N -1 1 357.248 2.322 20 10 FECDMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277658050 550697428 /nfs/dbraw/zinc/69/74/28/550697428.db2.gz YYYAUXSYYRMRJW-CMPLNLGQSA-N -1 1 373.247 2.148 20 10 FECDMM CCOc1ncc(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295581573 553029026 /nfs/dbraw/zinc/02/90/26/553029026.db2.gz CEYORKJMXCEGTI-UHFFFAOYSA-N -1 1 365.411 2.118 20 10 FECDMM O=C(NCc1nnc(C2CC2)[nH]1)NCc1cccc(Br)c1[O-] ZINC000297642228 553319282 /nfs/dbraw/zinc/31/92/82/553319282.db2.gz BSXQNHMPCTWURG-UHFFFAOYSA-N -1 1 366.219 2.150 20 10 FECDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)Cc1ccccc1O ZINC000363853193 555199536 /nfs/dbraw/zinc/19/95/36/555199536.db2.gz IYPGKYQUXVEJLD-UHFFFAOYSA-N -1 1 364.405 2.459 20 10 FECDMM O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368619622 556365284 /nfs/dbraw/zinc/36/52/84/556365284.db2.gz QPYNJMGCDNCRRS-STQMWFEESA-N -1 1 374.268 2.361 20 10 FECDMM COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000372030839 557361909 /nfs/dbraw/zinc/36/19/09/557361909.db2.gz KGDGXDFOMFLHIU-CYBMUJFWSA-N -1 1 350.806 2.261 20 10 FECDMM COC(=O)C1=C(C)O[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000833701956 605365471 /nfs/dbraw/zinc/36/54/71/605365471.db2.gz KNZGXODOHDAMFU-ZDUSSCGKSA-N -1 1 369.801 2.168 20 10 FECDMM COC(=O)C1=C(C)O[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000833701956 605365476 /nfs/dbraw/zinc/36/54/76/605365476.db2.gz KNZGXODOHDAMFU-ZDUSSCGKSA-N -1 1 369.801 2.168 20 10 FECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCCC2)cc1 ZINC000823624503 606698780 /nfs/dbraw/zinc/69/87/80/606698780.db2.gz AOCILSKFKVVMDM-UHFFFAOYSA-N -1 1 366.385 2.382 20 10 FECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCCC2)cc1 ZINC000823624503 606698782 /nfs/dbraw/zinc/69/87/82/606698782.db2.gz AOCILSKFKVVMDM-UHFFFAOYSA-N -1 1 366.385 2.382 20 10 FECDMM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000839739104 680775616 /nfs/dbraw/zinc/77/56/16/680775616.db2.gz GAOSDWWIPGMYOA-VHSXEESVSA-N -1 1 356.216 2.360 20 10 FECDMM O=C(NCCOC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000764781421 680820925 /nfs/dbraw/zinc/82/09/25/680820925.db2.gz WKJRXILHWWBBMJ-NSHDSACASA-N -1 1 373.247 2.007 20 10 FECDMM Cc1sc(=O)n(CC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765735037 680853058 /nfs/dbraw/zinc/85/30/58/680853058.db2.gz CPVXYCFWCNRFLP-UHFFFAOYSA-N -1 1 371.256 2.311 20 10 FECDMM CO[C@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836571918 680485104 /nfs/dbraw/zinc/48/51/04/680485104.db2.gz CHXCGZLLAOCXJF-MFKMUULPSA-N -1 1 373.247 2.005 20 10 FECDMM Cc1noc(C2CC2)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000768430080 680946822 /nfs/dbraw/zinc/94/68/22/680946822.db2.gz GSFNRNSSCXABFO-UHFFFAOYSA-N -1 1 351.384 2.190 20 10 FECDMM COc1ccc(F)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000769976474 681002075 /nfs/dbraw/zinc/00/20/75/681002075.db2.gz NYTCWSUWPCDLSZ-UHFFFAOYSA-N -1 1 354.359 2.164 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cn(C2CCC2)nn1 ZINC000843866888 681022915 /nfs/dbraw/zinc/02/29/15/681022915.db2.gz HYUXDFWLTZPNBA-UHFFFAOYSA-N -1 1 351.204 2.401 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC(n3cc([C@H](C)O)nn3)C2)c1 ZINC000781920526 681989360 /nfs/dbraw/zinc/98/93/60/681989360.db2.gz NGVAPDZXFSNLDX-JTQLQIEISA-N -1 1 367.247 2.165 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1[O-] ZINC000852169937 682232239 /nfs/dbraw/zinc/23/22/39/682232239.db2.gz VGYZMFNTFVQCHS-AWEZNQCLSA-N -1 1 372.874 2.467 20 10 FECDMM O=C(NCCO[C@H]1CC1(F)F)NCc1cccc(Br)c1[O-] ZINC000852528248 682295578 /nfs/dbraw/zinc/29/55/78/682295578.db2.gz RVNBONKOTYWOBO-JTQLQIEISA-N -1 1 365.174 2.378 20 10 FECDMM CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1C ZINC000856286327 682760987 /nfs/dbraw/zinc/76/09/87/682760987.db2.gz MEHJDOZYFWDMIX-UHFFFAOYSA-N -1 1 365.411 2.118 20 10 FECDMM CCn1nccc1CN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796469352 683163740 /nfs/dbraw/zinc/16/37/40/683163740.db2.gz TUGWSMYQXNQHBS-UHFFFAOYSA-N -1 1 351.834 2.459 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000919814349 683300335 /nfs/dbraw/zinc/30/03/35/683300335.db2.gz PSRSWEJPDHPHJQ-UHFFFAOYSA-N -1 1 368.361 2.245 20 10 FECDMM CC(C)(C)OCCCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000882330639 687348985 /nfs/dbraw/zinc/34/89/85/687348985.db2.gz KMZJEPPCRQLHQW-UHFFFAOYSA-N -1 1 354.422 2.200 20 10 FECDMM O=C([N-]CC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1)C(F)(F)F ZINC000899187792 690317058 /nfs/dbraw/zinc/31/70/58/690317058.db2.gz WKRSLTIYOHXVTF-UHFFFAOYSA-N -1 1 374.340 2.063 20 10 FECDMM CC1(C)COc2c(S(=O)(=O)NCc3cccc(Cl)c3[O-])cnn2C1 ZINC000908327935 691659962 /nfs/dbraw/zinc/65/99/62/691659962.db2.gz KSAGOWQQABCIEO-UHFFFAOYSA-N -1 1 371.846 2.139 20 10 FECDMM CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nn[n-]n1 ZINC000820886737 675397053 /nfs/dbraw/zinc/39/70/53/675397053.db2.gz TXGPOZIOVOPRRR-UHFFFAOYSA-N -1 1 368.235 2.039 20 10 FECDMM CC(=O)N(c1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1)C1CC1 ZINC000066779658 541373323 /nfs/dbraw/zinc/37/33/23/541373323.db2.gz GSQUYERVHRUGMJ-UHFFFAOYSA-N -1 1 365.436 2.440 20 10 FECDMM CCn1c(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[n-]c1=S ZINC000067050514 541410766 /nfs/dbraw/zinc/41/07/66/541410766.db2.gz VIIXNXPXVNIITA-VMPITWQZSA-N -1 1 373.482 2.127 20 10 FECDMM O=C(CN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC000129308571 544104310 /nfs/dbraw/zinc/10/43/10/544104310.db2.gz QENKVYLFKQXKJD-UHFFFAOYSA-N -1 1 351.878 2.176 20 10 FECDMM Cc1nc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)sc1C ZINC000276551714 550579163 /nfs/dbraw/zinc/57/91/63/550579163.db2.gz HXAPKPLHWSYTPE-UHFFFAOYSA-N -1 1 351.403 2.273 20 10 FECDMM O=C(CCCNC(=O)C1CC1)NCc1cccc(Br)c1[O-] ZINC000277396088 550665405 /nfs/dbraw/zinc/66/54/05/550665405.db2.gz AXLORFHCKMNTFI-UHFFFAOYSA-N -1 1 355.232 2.077 20 10 FECDMM COC(=O)[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000279791326 550929321 /nfs/dbraw/zinc/92/93/21/550929321.db2.gz VQZRUJDNNXTWCQ-GXSJLCMTSA-N -1 1 371.231 2.296 20 10 FECDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736532845 598993896 /nfs/dbraw/zinc/99/38/96/598993896.db2.gz UZACXCOONFNJSJ-UHFFFAOYSA-N -1 1 351.414 2.038 20 10 FECDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736532845 598993898 /nfs/dbraw/zinc/99/38/98/598993898.db2.gz UZACXCOONFNJSJ-UHFFFAOYSA-N -1 1 351.414 2.038 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC000817064660 675095749 /nfs/dbraw/zinc/09/57/49/675095749.db2.gz NHWYHVBXGMDYHE-UHFFFAOYSA-N -1 1 373.337 2.012 20 10 FECDMM Cc1noc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764789362 680821045 /nfs/dbraw/zinc/82/10/45/680821045.db2.gz CVIUSTOJAOOJFC-ZETCQYMHSA-N -1 1 355.192 2.407 20 10 FECDMM C[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])[S@](C)=O ZINC000764801907 680821561 /nfs/dbraw/zinc/82/15/61/680821561.db2.gz VWLHBDGEKDTALX-LXGOIASLSA-N -1 1 363.277 2.111 20 10 FECDMM Cc1nnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764803762 680821579 /nfs/dbraw/zinc/82/15/79/680821579.db2.gz DJYLFCIZECAQAD-UHFFFAOYSA-N -1 1 357.233 2.314 20 10 FECDMM CCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769646936 680990167 /nfs/dbraw/zinc/99/01/67/680990167.db2.gz JTJGFHMIRRHCBJ-UHFFFAOYSA-N -1 1 350.396 2.415 20 10 FECDMM Cn1nc(C2CC2)nc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000843866994 681022892 /nfs/dbraw/zinc/02/28/92/681022892.db2.gz IBQHJJDUNFHWOC-UHFFFAOYSA-N -1 1 365.231 2.020 20 10 FECDMM O=C(NCCO[C@@H]1CC1(F)F)NCc1cccc(Br)c1[O-] ZINC000852528249 682295576 /nfs/dbraw/zinc/29/55/76/682295576.db2.gz RVNBONKOTYWOBO-SNVBAGLBSA-N -1 1 365.174 2.378 20 10 FECDMM CC(C)CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000788012805 682496847 /nfs/dbraw/zinc/49/68/47/682496847.db2.gz NCFBSWPNUGLQCG-UHFFFAOYSA-N -1 1 366.443 2.328 20 10 FECDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(O)c1 ZINC000795357277 683044135 /nfs/dbraw/zinc/04/41/35/683044135.db2.gz MRMVDVAVVGYMMW-UHFFFAOYSA-N -1 1 372.786 2.441 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)C(=O)C2)c1[O-] ZINC000796563054 683171930 /nfs/dbraw/zinc/17/19/30/683171930.db2.gz VUESKLPFQJZZFI-UHFFFAOYSA-N -1 1 364.751 2.455 20 10 FECDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797820373 683276566 /nfs/dbraw/zinc/27/65/66/683276566.db2.gz USTDATDRLLXFJD-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM COc1ccc([O-])c(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000866780696 684151716 /nfs/dbraw/zinc/15/17/16/684151716.db2.gz BXQAHYCJZGZJSS-UHFFFAOYSA-N -1 1 360.482 2.318 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN1C(=O)C(F)(F)F ZINC000890759477 688962650 /nfs/dbraw/zinc/96/26/50/688962650.db2.gz LAQMDJJUOAQLRK-SNVBAGLBSA-N -1 1 350.724 2.215 20 10 FECDMM CN(C)C(=O)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000892955852 689270874 /nfs/dbraw/zinc/27/08/74/689270874.db2.gz AZRYVABIVBXBIW-UHFFFAOYSA-N -1 1 353.850 2.493 20 10 FECDMM O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1c(F)ccc(O)c1[O-] ZINC000899454132 690355946 /nfs/dbraw/zinc/35/59/46/690355946.db2.gz GSIGPGZNXBAZLT-LBPRGKRZSA-N -1 1 353.390 2.333 20 10 FECDMM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1cccc(Cl)c1[O-] ZINC000900839963 690572574 /nfs/dbraw/zinc/57/25/74/690572574.db2.gz XWEOFEVPOZKFLJ-OCCSQVGLSA-N -1 1 355.818 2.363 20 10 FECDMM CCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000903006270 690830039 /nfs/dbraw/zinc/83/00/39/690830039.db2.gz JEVHJMNFUNTQOX-UHFFFAOYSA-N -1 1 374.890 2.152 20 10 FECDMM CCOC1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000908326808 691660176 /nfs/dbraw/zinc/66/01/76/691660176.db2.gz DRYDPEACJFDCGB-UHFFFAOYSA-N -1 1 363.863 2.051 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc2n[nH]nc21 ZINC000800555416 674061911 /nfs/dbraw/zinc/06/19/11/674061911.db2.gz ZOHURKIIJQCDRN-UHFFFAOYSA-N -1 1 365.162 2.495 20 10 FECDMM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1O ZINC000248414082 549432513 /nfs/dbraw/zinc/43/25/13/549432513.db2.gz MEWCJXNUXLFJOP-PBHICJAKSA-N -1 1 355.438 2.442 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC000267025928 550026499 /nfs/dbraw/zinc/02/64/99/550026499.db2.gz CSFBZRBFYLRAIY-INIZCTEOSA-N -1 1 366.845 2.071 20 10 FECDMM COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000274602712 550545657 /nfs/dbraw/zinc/54/56/57/550545657.db2.gz LPHQIGKSSZOWMQ-UHFFFAOYSA-N -1 1 364.373 2.018 20 10 FECDMM Cc1ccc(CC(=O)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000276661176 550582829 /nfs/dbraw/zinc/58/28/29/550582829.db2.gz YAMSAXOMTRHYMQ-UHFFFAOYSA-N -1 1 372.396 2.072 20 10 FECDMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276710557 550587747 /nfs/dbraw/zinc/58/77/47/550587747.db2.gz REWIHSFMKKTMJF-OAHLLOKOSA-N -1 1 360.385 2.040 20 10 FECDMM O=C(CCOC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277447558 550671862 /nfs/dbraw/zinc/67/18/62/550671862.db2.gz FZACCBSYGJJULM-UHFFFAOYSA-N -1 1 358.232 2.357 20 10 FECDMM COC(=O)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278380741 550779278 /nfs/dbraw/zinc/77/92/78/550779278.db2.gz LRMUKKVWXMASBE-CQSZACIVSA-N -1 1 360.366 2.183 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CCC3CCOCC3)no2)c1 ZINC000293066665 552785742 /nfs/dbraw/zinc/78/57/42/552785742.db2.gz BFRJILHRWWRWRE-UHFFFAOYSA-N -1 1 367.427 2.173 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Oc2ncccc2F)CC1 ZINC000295150388 552963693 /nfs/dbraw/zinc/96/36/93/552963693.db2.gz DEEAESIZSLZNGW-UHFFFAOYSA-N -1 1 350.321 2.455 20 10 FECDMM COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000296150820 553112944 /nfs/dbraw/zinc/11/29/44/553112944.db2.gz GTRZPXGWPUZQBP-QGZVFWFLSA-N -1 1 355.818 2.260 20 10 FECDMM CO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000296965170 553236161 /nfs/dbraw/zinc/23/61/61/553236161.db2.gz YKRKVWGXDKLSRJ-ZWNOBZJWSA-N -1 1 358.232 2.213 20 10 FECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822210760 599303726 /nfs/dbraw/zinc/30/37/26/599303726.db2.gz PUKNKRKRSHUWFY-UHFFFAOYSA-N -1 1 365.802 2.335 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3cc(F)ccc32)c1 ZINC000094017505 670757236 /nfs/dbraw/zinc/75/72/36/670757236.db2.gz AVMARWYCXAWNKN-UHFFFAOYSA-N -1 1 364.398 2.496 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)[N-]C1=S ZINC000254953769 672881244 /nfs/dbraw/zinc/88/12/44/672881244.db2.gz YSBWRTSJMXJMJF-KAQJVSAMSA-N -1 1 361.471 2.049 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3ncccc32)C(=O)[N-]C1=S ZINC000254956485 672881369 /nfs/dbraw/zinc/88/13/69/672881369.db2.gz VKQUHQQIKUHWSN-UKTHLTGXSA-N -1 1 354.435 2.430 20 10 FECDMM O=C(CSc1nncn1CCc1ccccn1)c1ccc([O-])c(O)c1 ZINC000731936568 673348855 /nfs/dbraw/zinc/34/88/55/673348855.db2.gz BYLVFPKLMODWAW-UHFFFAOYSA-N -1 1 356.407 2.302 20 10 FECDMM CCOC(=O)c1sc(CNC(=O)c2c(F)ccc(O)c2[O-])nc1C ZINC000826713958 675701376 /nfs/dbraw/zinc/70/13/76/675701376.db2.gz IPWKBKUIHIHEBY-UHFFFAOYSA-N -1 1 354.359 2.109 20 10 FECDMM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000829680716 675887182 /nfs/dbraw/zinc/88/71/82/675887182.db2.gz DDNDUIXQIKSZPF-RTHLEPHNSA-N -1 1 351.296 2.450 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCn2cncc2C1 ZINC000765726710 680852707 /nfs/dbraw/zinc/85/27/07/680852707.db2.gz JKAXYYNPOGFOCR-SNVBAGLBSA-N -1 1 350.216 2.230 20 10 FECDMM CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753696 680854047 /nfs/dbraw/zinc/85/40/47/680854047.db2.gz PCWLZNWBXMENJR-CYBMUJFWSA-N -1 1 369.259 2.418 20 10 FECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000766047643 680864193 /nfs/dbraw/zinc/86/41/93/680864193.db2.gz OTNMSEWMMZVBKJ-UHFFFAOYSA-N -1 1 371.317 2.372 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1[O-] ZINC000832462231 680136864 /nfs/dbraw/zinc/13/68/64/680136864.db2.gz BMLIUQSJBQBKHJ-CABCVRRESA-N -1 1 357.859 2.400 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCn2ccnc21 ZINC000836523904 680480215 /nfs/dbraw/zinc/48/02/15/680480215.db2.gz ONZYXBMMJAKIAD-NSHDSACASA-N -1 1 351.204 2.295 20 10 FECDMM COCc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758282562 680567819 /nfs/dbraw/zinc/56/78/19/680567819.db2.gz HEFFJTVYBYFKRH-UHFFFAOYSA-N -1 1 367.408 2.451 20 10 FECDMM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000841571641 680900495 /nfs/dbraw/zinc/90/04/95/680900495.db2.gz ZRZBZPIXNCCSSF-LBPRGKRZSA-N -1 1 370.906 2.357 20 10 FECDMM O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)c1ccc([O-])c(O)c1 ZINC000768327822 680944312 /nfs/dbraw/zinc/94/43/12/680944312.db2.gz ILGVKYFTPFUEAN-UHFFFAOYSA-N -1 1 354.284 2.434 20 10 FECDMM O=C(COC(=O)c1cnn(CCC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000784684350 682245866 /nfs/dbraw/zinc/24/58/66/682245866.db2.gz HTILVWMJXLRHRC-UHFFFAOYSA-N -1 1 358.272 2.286 20 10 FECDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000852437943 682279123 /nfs/dbraw/zinc/27/91/23/682279123.db2.gz KLVRKFABBLZCGN-DGCLKSJQSA-N -1 1 373.247 2.005 20 10 FECDMM CN(CC(N)=O)C(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000793620219 682899907 /nfs/dbraw/zinc/89/99/07/682899907.db2.gz NGXMYZLNBNBNAE-UHFFFAOYSA-N -1 1 365.792 2.354 20 10 FECDMM O=C([O-])CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368800 685204209 /nfs/dbraw/zinc/20/42/09/685204209.db2.gz GZXRPNAOCOHMBX-AWEZNQCLSA-N -1 1 354.834 2.381 20 10 FECDMM COc1ccc(N2CCC([N-]S(=O)(=O)c3ccns3)CC2)cc1 ZINC000884997009 687988182 /nfs/dbraw/zinc/98/81/82/687988182.db2.gz HFULTMJSJBBJFG-UHFFFAOYSA-N -1 1 353.469 2.099 20 10 FECDMM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886951303 688344689 /nfs/dbraw/zinc/34/46/89/688344689.db2.gz ZSOBKEWUHFNRNF-UKRRQHHQSA-N -1 1 355.818 2.449 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](n1cncn1)C(F)(F)F ZINC000896100955 689820128 /nfs/dbraw/zinc/82/01/28/689820128.db2.gz RELNAIZTXQXRID-SNVBAGLBSA-N -1 1 363.727 2.240 20 10 FECDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000072878904 541887417 /nfs/dbraw/zinc/88/74/17/541887417.db2.gz CJWQHHUVKMBWJJ-UHFFFAOYSA-N -1 1 370.478 2.453 20 10 FECDMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc21 ZINC000116601223 543611402 /nfs/dbraw/zinc/61/14/02/543611402.db2.gz YPWSKBNNRGXVKG-UHFFFAOYSA-N -1 1 371.462 2.374 20 10 FECDMM CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC000187121829 548251060 /nfs/dbraw/zinc/25/10/60/548251060.db2.gz GCVTWDGJWAEBMM-UHFFFAOYSA-N -1 1 357.385 2.452 20 10 FECDMM O=C(NCCCn1cccn1)NCc1cccc(Br)c1[O-] ZINC000277421269 550668537 /nfs/dbraw/zinc/66/85/37/550668537.db2.gz LDGHCVSVHIBUKI-UHFFFAOYSA-N -1 1 353.220 2.241 20 10 FECDMM C[C@H](NC(=O)C1CCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277602801 550690512 /nfs/dbraw/zinc/69/05/12/550690512.db2.gz ULKJVALSDJIRHO-JTQLQIEISA-N -1 1 369.259 2.466 20 10 FECDMM COc1c([O-])c(CN2CCN([C@@H](C)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278164056 550756042 /nfs/dbraw/zinc/75/60/42/550756042.db2.gz DWPJRUDQRFIZSZ-JTQLQIEISA-N -1 1 363.336 2.377 20 10 FECDMM CC(C)(C)OC(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000294860065 552939389 /nfs/dbraw/zinc/93/93/89/552939389.db2.gz OEHHWBPUFGVVDI-UHFFFAOYSA-N -1 1 354.378 2.366 20 10 FECDMM CCN1CCN(c2ccc(CNc3ccc(C(=O)[O-])nn3)cc2F)CC1 ZINC000737121994 600008414 /nfs/dbraw/zinc/00/84/14/600008414.db2.gz FQYMAIZOMKTYJP-UHFFFAOYSA-N -1 1 359.405 2.068 20 10 FECDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823229543 606599036 /nfs/dbraw/zinc/59/90/36/606599036.db2.gz XEZXDOPSCDDKBR-UHFFFAOYSA-N -1 1 355.423 2.443 20 10 FECDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823229543 606599038 /nfs/dbraw/zinc/59/90/38/606599038.db2.gz XEZXDOPSCDDKBR-UHFFFAOYSA-N -1 1 355.423 2.443 20 10 FECDMM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824457112 609417861 /nfs/dbraw/zinc/41/78/61/609417861.db2.gz FFLMLBOGRYFYDM-JTQLQIEISA-N -1 1 363.381 2.264 20 10 FECDMM C[C@@H](Cc1ccc(O)c(O)c1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824457112 609417862 /nfs/dbraw/zinc/41/78/62/609417862.db2.gz FFLMLBOGRYFYDM-JTQLQIEISA-N -1 1 363.381 2.264 20 10 FECDMM CNC(=O)CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816600199 675067715 /nfs/dbraw/zinc/06/77/15/675067715.db2.gz OPXSLVHWAZRBLZ-UHFFFAOYSA-N -1 1 365.792 2.273 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)[N-]C1=S ZINC000072680459 670497196 /nfs/dbraw/zinc/49/71/96/670497196.db2.gz YSBWRTSJMXJMJF-JYVXZMADSA-N -1 1 361.471 2.049 20 10 FECDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000119671628 671905147 /nfs/dbraw/zinc/90/51/47/671905147.db2.gz BPBIVQSWRCOINE-UHFFFAOYSA-N -1 1 359.404 2.340 20 10 FECDMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(Cl)c1[O-] ZINC000193500794 672727054 /nfs/dbraw/zinc/72/70/54/672727054.db2.gz TVVQCJBNTPJAIP-KRWDZBQOSA-N -1 1 359.813 2.382 20 10 FECDMM CCOC(=O)N1CCC([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829019955 675859482 /nfs/dbraw/zinc/85/94/82/675859482.db2.gz SPZJKDSMCFRTOD-JTQLQIEISA-N -1 1 354.378 2.224 20 10 FECDMM O=C(NCc1nc(C2CC2)no1)NCc1cccc(Br)c1[O-] ZINC000764768992 680820527 /nfs/dbraw/zinc/82/05/27/680820527.db2.gz LYWFWYYASJJELM-UHFFFAOYSA-N -1 1 367.203 2.415 20 10 FECDMM O=C(NCCOC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000764784517 680821113 /nfs/dbraw/zinc/82/11/13/680821113.db2.gz PXGLBQGCWDPBCG-GFCCVEGCSA-N -1 1 373.247 2.150 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000764799106 680821390 /nfs/dbraw/zinc/82/13/90/680821390.db2.gz ZKHRIMXVSRMUPI-LLVKDONJSA-N -1 1 365.231 2.235 20 10 FECDMM CC1(C)OC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000765535571 680845757 /nfs/dbraw/zinc/84/57/57/680845757.db2.gz JIEIWUKTCZPWKB-JTQLQIEISA-N -1 1 359.220 2.105 20 10 FECDMM COc1ncc(/C=C\C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765731689 680852898 /nfs/dbraw/zinc/85/28/98/680852898.db2.gz KBRVVZJFIZQFPX-WAYWQWQTSA-N -1 1 364.199 2.283 20 10 FECDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1N(C)C ZINC000769694665 680991626 /nfs/dbraw/zinc/99/16/26/680991626.db2.gz SVIVUEJNGXRKDR-UHFFFAOYSA-N -1 1 363.439 2.390 20 10 FECDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774013730 681164546 /nfs/dbraw/zinc/16/45/46/681164546.db2.gz KRRGDPZDVHWGTM-UHFFFAOYSA-N -1 1 355.423 2.123 20 10 FECDMM COc1c([O-])c(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774907870 681248986 /nfs/dbraw/zinc/24/89/86/681248986.db2.gz HZBAEBMVVLXCAG-KWQFWETISA-N -1 1 350.293 2.461 20 10 FECDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000774927620 681251868 /nfs/dbraw/zinc/25/18/68/681251868.db2.gz ILDWVQDMEJSIBZ-UHFFFAOYSA-N -1 1 357.229 2.337 20 10 FECDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000849416324 681723220 /nfs/dbraw/zinc/72/32/20/681723220.db2.gz OXZRNYZYOJUOMO-ZDUSSCGKSA-N -1 1 367.496 2.326 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2c2ncon2)c1 ZINC000781919949 681989069 /nfs/dbraw/zinc/98/90/69/681989069.db2.gz GMVUYCQQJOPRGJ-GFCCVEGCSA-N -1 1 354.204 2.420 20 10 FECDMM O=C(COC(=O)c1cccnc1OCC(F)F)c1ccc([O-])c(O)c1 ZINC000784420240 682225467 /nfs/dbraw/zinc/22/54/67/682225467.db2.gz CRBIXUNANFOSGI-UHFFFAOYSA-N -1 1 353.277 2.176 20 10 FECDMM CN(CC(N)=O)C(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790637607 682690396 /nfs/dbraw/zinc/69/03/96/682690396.db2.gz JDNJTVKUOXPLBR-UHFFFAOYSA-N -1 1 365.792 2.354 20 10 FECDMM COc1ccccc1[C@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920980227 683384634 /nfs/dbraw/zinc/38/46/34/683384634.db2.gz DODSBWKLWZWKMZ-CJAAZZPWSA-N -1 1 361.467 2.129 20 10 FECDMM O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Br ZINC000864509553 683863081 /nfs/dbraw/zinc/86/30/81/683863081.db2.gz NDMDXZCJUYLORS-CYBMUJFWSA-N -1 1 357.248 2.183 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cn1C ZINC000882798991 687496450 /nfs/dbraw/zinc/49/64/50/687496450.db2.gz LLLSIVPPTRHKED-UHFFFAOYSA-N -1 1 352.412 2.442 20 10 FECDMM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886951302 688344863 /nfs/dbraw/zinc/34/48/63/688344863.db2.gz ZSOBKEWUHFNRNF-HIFRSBDPSA-N -1 1 355.818 2.449 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000890757725 688962672 /nfs/dbraw/zinc/96/26/72/688962672.db2.gz JMLVXCPTBIFUIR-ZDUSSCGKSA-N -1 1 359.813 2.106 20 10 FECDMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761190 688963123 /nfs/dbraw/zinc/96/31/23/688963123.db2.gz NBJIMRGWJTYBPS-UHFFFAOYSA-N -1 1 356.850 2.372 20 10 FECDMM COCCOc1ncccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891913018 689125887 /nfs/dbraw/zinc/12/58/87/689125887.db2.gz PERRMVHNVIMUHM-UHFFFAOYSA-N -1 1 365.817 2.465 20 10 FECDMM Cc1cc(COCC(=O)NCc2cccc(Br)c2[O-])on1 ZINC000801253261 674114330 /nfs/dbraw/zinc/11/43/30/674114330.db2.gz TZGVCWLJGBHQLF-UHFFFAOYSA-N -1 1 355.188 2.284 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc32)c1 ZINC000801547759 674134803 /nfs/dbraw/zinc/13/48/03/674134803.db2.gz XVOBQJZWHYHMRS-UHFFFAOYSA-N -1 1 350.371 2.106 20 10 FECDMM CNS(=O)(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271154543 550345962 /nfs/dbraw/zinc/34/59/62/550345962.db2.gz CKIBICQARQXDLL-UHFFFAOYSA-N -1 1 353.271 2.213 20 10 FECDMM COc1c(O)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133788 550752831 /nfs/dbraw/zinc/75/28/31/550752831.db2.gz CPNMZIZBOLWZHY-HZMBPMFUSA-N -1 1 364.320 2.444 20 10 FECDMM O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281825578 551145376 /nfs/dbraw/zinc/14/53/76/551145376.db2.gz WBEOPUBVZLYMGX-DUXPYHPUSA-N -1 1 372.343 2.028 20 10 FECDMM COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000372030840 557362008 /nfs/dbraw/zinc/36/20/08/557362008.db2.gz KGDGXDFOMFLHIU-ZDUSSCGKSA-N -1 1 350.806 2.261 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCC12OCCO2 ZINC000807416438 674415089 /nfs/dbraw/zinc/41/50/89/674415089.db2.gz GCPXQNMJLZEOOK-NSHDSACASA-N -1 1 356.216 2.314 20 10 FECDMM C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000833820505 605679245 /nfs/dbraw/zinc/67/92/45/605679245.db2.gz RVCHMZSEIZNTDK-BXKDBHETSA-N -1 1 359.220 2.012 20 10 FECDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000816495932 675059798 /nfs/dbraw/zinc/05/97/98/675059798.db2.gz OTJAVOONBLGSMZ-UHFFFAOYSA-N -1 1 353.172 2.199 20 10 FECDMM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1c(F)ccc(O)c1[O-] ZINC000826870255 675711690 /nfs/dbraw/zinc/71/16/90/675711690.db2.gz LJFXPXGDNLLTOQ-SECBINFHSA-N -1 1 351.765 2.294 20 10 FECDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])Cn1cccn1 ZINC000764761798 680820407 /nfs/dbraw/zinc/82/04/07/680820407.db2.gz FAXKMPCXPJCYBS-LLVKDONJSA-N -1 1 367.247 2.487 20 10 FECDMM CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765726305 680852557 /nfs/dbraw/zinc/85/25/57/680852557.db2.gz FSJQKCQKDADSDV-UHFFFAOYSA-N -1 1 369.175 2.209 20 10 FECDMM O=C(CSc1cccc[n+]1[O-])NCc1cccc(Br)c1[O-] ZINC000765747506 680853884 /nfs/dbraw/zinc/85/38/84/680853884.db2.gz PCZIUTQLSXEXPZ-UHFFFAOYSA-N -1 1 369.240 2.197 20 10 FECDMM COc1ccc(OC)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000769597479 680988561 /nfs/dbraw/zinc/98/85/61/680988561.db2.gz JPOOMYRWMNMRRK-UHFFFAOYSA-N -1 1 366.395 2.033 20 10 FECDMM Cc1n[nH]c2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc12 ZINC000770257716 681010726 /nfs/dbraw/zinc/01/07/26/681010726.db2.gz KAKVBGDDNZMINL-UHFFFAOYSA-N -1 1 360.395 2.201 20 10 FECDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773088154 681125030 /nfs/dbraw/zinc/12/50/30/681125030.db2.gz NABOQZPGLCLWDL-NSHDSACASA-N -1 1 350.400 2.095 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3cccc(O)c32)c1 ZINC000778951847 681666427 /nfs/dbraw/zinc/66/64/27/681666427.db2.gz MCQPFKLJSRPKGS-UHFFFAOYSA-N -1 1 362.407 2.062 20 10 FECDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779545340 681724821 /nfs/dbraw/zinc/72/48/21/681724821.db2.gz SBJUPMNTQXCBNJ-XVNBXDOJSA-N -1 1 366.370 2.260 20 10 FECDMM CCc1cc(CC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000935663850 681796847 /nfs/dbraw/zinc/79/68/47/681796847.db2.gz ZPQHHCAWPVHJDJ-UHFFFAOYSA-N -1 1 352.232 2.310 20 10 FECDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000790408648 682674497 /nfs/dbraw/zinc/67/44/97/682674497.db2.gz CVSZTSQWEVWLQH-UHFFFAOYSA-N -1 1 355.343 2.429 20 10 FECDMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c(O)c1 ZINC000795358669 683044491 /nfs/dbraw/zinc/04/44/91/683044491.db2.gz RJCIQOHQXURLEN-UHFFFAOYSA-N -1 1 359.350 2.166 20 10 FECDMM O=C(COC(=O)c1ncccc1Br)c1ccc([O-])c(O)c1 ZINC000796091004 683126465 /nfs/dbraw/zinc/12/64/65/683126465.db2.gz YDIUIBGBAMWGJC-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(O)c(OC)c3)cc2oc1=O ZINC000797820196 683276192 /nfs/dbraw/zinc/27/61/92/683276192.db2.gz KZEWCYLNVCUKTA-UHFFFAOYSA-N -1 1 364.379 2.129 20 10 FECDMM COCCN1C(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)[N-]C1=S ZINC000920976678 683384028 /nfs/dbraw/zinc/38/40/28/683384028.db2.gz OIQYTPYFBVOPCX-BQYQJAHWSA-N -1 1 374.249 2.179 20 10 FECDMM COc1cc(Cl)cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000877776854 686453917 /nfs/dbraw/zinc/45/39/17/686453917.db2.gz DGQDLAIULFQWRJ-UHFFFAOYSA-N -1 1 352.740 2.165 20 10 FECDMM Cc1ccc(O)c(C[N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c1 ZINC000882441195 687367651 /nfs/dbraw/zinc/36/76/51/687367651.db2.gz ODMXPUJUKCKLLA-QFIPXVFZSA-N -1 1 360.501 2.466 20 10 FECDMM COc1ccc(CNS(C)(=O)=O)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883136126 687574903 /nfs/dbraw/zinc/57/49/03/687574903.db2.gz VOKFIHCCQQPQGI-UHFFFAOYSA-N -1 1 372.393 2.340 20 10 FECDMM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757496 688962676 /nfs/dbraw/zinc/96/26/76/688962676.db2.gz GAKBETIFJNEPTB-UHFFFAOYSA-N -1 1 359.817 2.349 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000890758420 688962678 /nfs/dbraw/zinc/96/26/78/688962678.db2.gz XIQCPPWLCPGSJA-VIFPVBQESA-N -1 1 350.724 2.073 20 10 FECDMM CN(CC(=O)NCCC1=CCCCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000900728910 690553796 /nfs/dbraw/zinc/55/37/96/690553796.db2.gz CVMGRPBUOQBXFW-UHFFFAOYSA-N -1 1 350.390 2.316 20 10 FECDMM C[C@@H](Cn1cccn1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277279212 550651214 /nfs/dbraw/zinc/65/12/14/550651214.db2.gz AVBULZZYIBGACL-JTQLQIEISA-N -1 1 353.220 2.239 20 10 FECDMM Cc1cc(CS(=O)(=O)NCc2cccc(Br)c2[O-])no1 ZINC000277418316 550668310 /nfs/dbraw/zinc/66/83/10/550668310.db2.gz ACXXKGDYRVJZMT-UHFFFAOYSA-N -1 1 361.217 2.071 20 10 FECDMM CN(C(=O)[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1)c1ccccc1 ZINC000295164974 552965455 /nfs/dbraw/zinc/96/54/55/552965455.db2.gz PGDDSGFMFWRABB-GFCCVEGCSA-N -1 1 358.369 2.362 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Oc2ccc(F)nc2)CC1 ZINC000295327583 552987845 /nfs/dbraw/zinc/98/78/45/552987845.db2.gz HBLFXMFQSVBABC-UHFFFAOYSA-N -1 1 350.321 2.455 20 10 FECDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000833742676 605110455 /nfs/dbraw/zinc/11/04/55/605110455.db2.gz SARNSSLMJXPIDK-HNNXBMFYSA-N -1 1 370.453 2.110 20 10 FECDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821589258 606579778 /nfs/dbraw/zinc/57/97/78/606579778.db2.gz FWPFVTXCTCWOQM-UHFFFAOYSA-N -1 1 356.411 2.033 20 10 FECDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821589258 606579779 /nfs/dbraw/zinc/57/97/79/606579779.db2.gz FWPFVTXCTCWOQM-UHFFFAOYSA-N -1 1 356.411 2.033 20 10 FECDMM O=C(Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)NCCO ZINC000816526142 675062278 /nfs/dbraw/zinc/06/22/78/675062278.db2.gz VHLYBISQNDXDEK-UHFFFAOYSA-N -1 1 352.793 2.448 20 10 FECDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398023 670048565 /nfs/dbraw/zinc/04/85/65/670048565.db2.gz HGPRPTCNVSKOOZ-UHFFFAOYSA-N -1 1 368.436 2.062 20 10 FECDMM CC(C)OCCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093586476 670754439 /nfs/dbraw/zinc/75/44/39/670754439.db2.gz XPTMIEWGYZWNSC-UHFFFAOYSA-N -1 1 357.838 2.496 20 10 FECDMM CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828935410 675853409 /nfs/dbraw/zinc/85/34/09/675853409.db2.gz AQRUHBPXOSXFTG-GHMZBOCLSA-N -1 1 354.378 2.224 20 10 FECDMM C[C@H]1C[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000762286893 680746761 /nfs/dbraw/zinc/74/67/61/680746761.db2.gz FBFWWGABNUUDFC-UWVGGRQHSA-N -1 1 353.400 2.096 20 10 FECDMM CCO[C@@H]1COCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764806001 680821742 /nfs/dbraw/zinc/82/17/42/680821742.db2.gz MSSYESWIFLIGRY-CHWSQXEVSA-N -1 1 373.247 2.148 20 10 FECDMM O=C(NCCCn1ccnc1)NCc1cccc(Br)c1[O-] ZINC000765419123 680841643 /nfs/dbraw/zinc/84/16/43/680841643.db2.gz DQKKJYGWXKLXFT-UHFFFAOYSA-N -1 1 353.220 2.241 20 10 FECDMM COCCN1C(=O)C2(CC2)N[C@H]1c1cc(C)cc(Br)c1[O-] ZINC000840836627 680846001 /nfs/dbraw/zinc/84/60/01/680846001.db2.gz KDKVEZVHLVHDDW-CYBMUJFWSA-N -1 1 355.232 2.073 20 10 FECDMM COc1ncc(/C=C/C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765731688 680852789 /nfs/dbraw/zinc/85/27/89/680852789.db2.gz KBRVVZJFIZQFPX-AATRIKPKSA-N -1 1 364.199 2.283 20 10 FECDMM CC(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765754160 680854197 /nfs/dbraw/zinc/85/41/97/680854197.db2.gz RVCLXTLFVOMCCQ-UHFFFAOYSA-N -1 1 355.232 2.029 20 10 FECDMM Cn1nc(C2CC2)nc1C(=O)NCc1cccc(Br)c1[O-] ZINC000836208403 680435629 /nfs/dbraw/zinc/43/56/29/680435629.db2.gz KCHAFNNHWUGWEC-UHFFFAOYSA-N -1 1 351.204 2.091 20 10 FECDMM COc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000758272656 680567172 /nfs/dbraw/zinc/56/71/72/680567172.db2.gz KYSOOCIEKOJTQF-UHFFFAOYSA-N -1 1 361.379 2.489 20 10 FECDMM Cc1cc(CS(=O)(=O)NCc2cccc(Br)c2[O-])on1 ZINC000766199232 680870106 /nfs/dbraw/zinc/87/01/06/680870106.db2.gz BZJWSTRZTFHTDL-UHFFFAOYSA-N -1 1 361.217 2.071 20 10 FECDMM COc1ccccc1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769705244 680992182 /nfs/dbraw/zinc/99/21/82/680992182.db2.gz HXCDNFGDJYULHJ-UHFFFAOYSA-N -1 1 350.396 2.049 20 10 FECDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2n[nH]cc21 ZINC000769742004 680993429 /nfs/dbraw/zinc/99/34/29/680993429.db2.gz OKUKZCOZZXMKNO-UHFFFAOYSA-N -1 1 360.395 2.201 20 10 FECDMM C[C@@H](C1CC1)n1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000779158851 681685647 /nfs/dbraw/zinc/68/56/47/681685647.db2.gz ZHLDRMQRSXTWAY-JTQLQIEISA-N -1 1 364.427 2.184 20 10 FECDMM COC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])c1ccn(C)n1 ZINC000787437818 682457360 /nfs/dbraw/zinc/45/73/60/682457360.db2.gz DOOKIJUAGQQUFO-ZDUSSCGKSA-N -1 1 368.231 2.201 20 10 FECDMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790070998 682654524 /nfs/dbraw/zinc/65/45/24/682654524.db2.gz OVQIVBPLHIOENN-SNVBAGLBSA-N -1 1 354.378 2.366 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(C)cc1F ZINC000793429334 682888929 /nfs/dbraw/zinc/88/89/29/682888929.db2.gz FRCDSHHCXVRACB-UHFFFAOYSA-N -1 1 369.370 2.436 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OCCF)c1 ZINC000857522368 682891652 /nfs/dbraw/zinc/89/16/52/682891652.db2.gz PMDNFGBTUWPKJZ-UHFFFAOYSA-N -1 1 368.386 2.364 20 10 FECDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797819568 683275895 /nfs/dbraw/zinc/27/58/95/683275895.db2.gz MTJCHDVKRHZPKD-BJMVGYQFSA-N -1 1 363.391 2.388 20 10 FECDMM CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862551012 683600412 /nfs/dbraw/zinc/60/04/12/683600412.db2.gz JEUQDXZSFKWWPG-SNVBAGLBSA-N -1 1 367.298 2.460 20 10 FECDMM O=C(NCCC[C@@H]1CCOC1=O)NCc1cccc(Br)c1[O-] ZINC000873167709 685086896 /nfs/dbraw/zinc/08/68/96/685086896.db2.gz YRUMFYMNPSVVDN-SNVBAGLBSA-N -1 1 371.231 2.297 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nncn2CC1 ZINC000879774463 686906810 /nfs/dbraw/zinc/90/68/10/686906810.db2.gz IFUZIEHJMXBWIP-JTQLQIEISA-N -1 1 365.231 2.015 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000890759413 688962670 /nfs/dbraw/zinc/96/26/70/688962670.db2.gz LAQMDJJUOAQLRK-JTQLQIEISA-N -1 1 350.724 2.215 20 10 FECDMM O=C(Cc1csc(N2CCOCC2)n1)NCc1cccc(Cl)c1[O-] ZINC000890759906 688963212 /nfs/dbraw/zinc/96/32/12/688963212.db2.gz VLLGOJJZQSPHGK-UHFFFAOYSA-N -1 1 367.858 2.198 20 10 FECDMM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893011856 689281302 /nfs/dbraw/zinc/28/13/02/689281302.db2.gz YJIFCPDWEMMUMC-DGCLKSJQSA-N -1 1 353.850 2.492 20 10 FECDMM CNC(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895001226 689637950 /nfs/dbraw/zinc/63/79/50/689637950.db2.gz LHAGHXARPQIAAQ-UHFFFAOYSA-N -1 1 360.227 2.187 20 10 FECDMM O=C(NCc1cnn(CCF)c1)NCc1cccc(Br)c1[O-] ZINC000897669197 690059975 /nfs/dbraw/zinc/05/99/75/690059975.db2.gz YDJIBYBMIQUXPW-UHFFFAOYSA-N -1 1 371.210 2.320 20 10 FECDMM Nc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C1CC1 ZINC000907757294 691554531 /nfs/dbraw/zinc/55/45/31/691554531.db2.gz CYJVSVSSDWTOHY-UHFFFAOYSA-N -1 1 351.204 2.198 20 10 FECDMM CC[N@H+](CC(=O)Nc1nncs1)Cc1cc(Br)ccc1O ZINC000173993012 546289770 /nfs/dbraw/zinc/28/97/70/546289770.db2.gz YBGHVUCXPRCBRP-UHFFFAOYSA-N -1 1 371.260 2.467 20 10 FECDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183453160 547663159 /nfs/dbraw/zinc/66/31/59/547663159.db2.gz CQYMGCFJQOUJHI-SNVBAGLBSA-N -1 1 359.426 2.148 20 10 FECDMM CN(C(=O)[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1)c1ccccc1 ZINC000295164976 552965323 /nfs/dbraw/zinc/96/53/23/552965323.db2.gz PGDDSGFMFWRABB-LBPRGKRZSA-N -1 1 358.369 2.362 20 10 FECDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104484 599025689 /nfs/dbraw/zinc/02/56/89/599025689.db2.gz ZYDNGIDYPJBVGN-UHFFFAOYSA-N -1 1 363.425 2.182 20 10 FECDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104484 599025691 /nfs/dbraw/zinc/02/56/91/599025691.db2.gz ZYDNGIDYPJBVGN-UHFFFAOYSA-N -1 1 363.425 2.182 20 10 FECDMM C[C@H]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802349 674430456 /nfs/dbraw/zinc/43/04/56/674430456.db2.gz IGMGYQONZAQWOM-LAEOZQHASA-N -1 1 350.362 2.371 20 10 FECDMM CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)NC(=O)[O-])cc1 ZINC000828055029 603993872 /nfs/dbraw/zinc/99/38/72/603993872.db2.gz BUNFPYGQNVHTHZ-PBHICJAKSA-N -1 1 371.441 2.021 20 10 FECDMM CC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827518032 605294896 /nfs/dbraw/zinc/29/48/96/605294896.db2.gz GPWPEGZFEWRLCP-KGLIPLIRSA-N -1 1 369.849 2.172 20 10 FECDMM C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000824622149 605520554 /nfs/dbraw/zinc/52/05/54/605520554.db2.gz KOCKZDHMCLSPJZ-BXUZGUMPSA-N -1 1 369.849 2.172 20 10 FECDMM O=C([O-])NC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834222048 605559794 /nfs/dbraw/zinc/55/97/94/605559794.db2.gz XMHRMNWMWLSENC-HNNXBMFYSA-N -1 1 351.422 2.284 20 10 FECDMM C[C@H](Cc1ccc(O)c(O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824456924 609417835 /nfs/dbraw/zinc/41/78/35/609417835.db2.gz ASKVLHSKLLIPLY-ZCFIWIBFSA-N -1 1 352.807 2.431 20 10 FECDMM C[C@H](Cc1ccc(O)c(O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824456924 609417837 /nfs/dbraw/zinc/41/78/37/609417837.db2.gz ASKVLHSKLLIPLY-ZCFIWIBFSA-N -1 1 352.807 2.431 20 10 FECDMM O=C(NCCO)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000314651426 673032899 /nfs/dbraw/zinc/03/28/99/673032899.db2.gz MIBBOSMIRJTFIB-UHFFFAOYSA-N -1 1 365.227 2.489 20 10 FECDMM CN1CCCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000822458858 675486389 /nfs/dbraw/zinc/48/63/89/675486389.db2.gz MGXHLESHEXPVLL-LLVKDONJSA-N -1 1 355.232 2.029 20 10 FECDMM COC(=O)c1cnc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000822498196 675488826 /nfs/dbraw/zinc/48/88/26/675488826.db2.gz VXGOLODMYDYJQM-MRVPVSSYSA-N -1 1 367.383 2.403 20 10 FECDMM Cc1cc(C)nc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000762116399 680741256 /nfs/dbraw/zinc/74/12/56/680741256.db2.gz ZLNQMFSNDPQXQN-UHFFFAOYSA-N -1 1 360.395 2.493 20 10 FECDMM COCCOC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764796482 680821231 /nfs/dbraw/zinc/82/12/31/680821231.db2.gz DXLSZUSYBTVHHA-SNVBAGLBSA-N -1 1 361.236 2.005 20 10 FECDMM CC(C)NC(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765748548 680853877 /nfs/dbraw/zinc/85/38/77/680853877.db2.gz WIKLJIYWJAGVPQ-UHFFFAOYSA-N -1 1 357.248 2.466 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H]2C2CC2)c1[O-] ZINC000831382249 679975023 /nfs/dbraw/zinc/97/50/23/679975023.db2.gz RMTWCJLNLMGSMJ-OAHLLOKOSA-N -1 1 357.859 2.257 20 10 FECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cncc(F)c1 ZINC000766202294 680869996 /nfs/dbraw/zinc/86/99/96/680869996.db2.gz ZJYJYLNGTYYVCY-UHFFFAOYSA-N -1 1 361.192 2.167 20 10 FECDMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000769751985 680993837 /nfs/dbraw/zinc/99/38/37/680993837.db2.gz GJQQVYHDSOTNJL-UHFFFAOYSA-N -1 1 350.396 2.333 20 10 FECDMM Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)ccc1O ZINC000771298162 681049691 /nfs/dbraw/zinc/04/96/91/681049691.db2.gz MOIIZMOMOLPPPR-UHFFFAOYSA-N -1 1 361.379 2.495 20 10 FECDMM COC(=O)C[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1 ZINC000781914015 681988439 /nfs/dbraw/zinc/98/84/39/681988439.db2.gz VZTBFUALYFIWQT-LBPRGKRZSA-N -1 1 358.232 2.227 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000792702604 682828945 /nfs/dbraw/zinc/82/89/45/682828945.db2.gz BAOQHHUMSBOPPZ-UHFFFAOYSA-N -1 1 366.420 2.360 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])NCC1CC2(C1)OCCO2 ZINC000927089305 683206344 /nfs/dbraw/zinc/20/63/44/683206344.db2.gz LTZHDWHBGXGRAB-UHFFFAOYSA-N -1 1 371.231 2.107 20 10 FECDMM CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369052 685204254 /nfs/dbraw/zinc/20/42/54/685204254.db2.gz LUPSLMXYDJUPJH-CYBMUJFWSA-N -1 1 354.834 2.237 20 10 FECDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000178293476 546769963 /nfs/dbraw/zinc/76/99/63/546769963.db2.gz UOUHEZNLJATLIB-UHFFFAOYSA-N -1 1 359.451 2.315 20 10 FECDMM COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2C)cc1 ZINC000183433856 547658193 /nfs/dbraw/zinc/65/81/93/547658193.db2.gz ABPGNOUDLSNDDD-LBPRGKRZSA-N -1 1 368.441 2.492 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ncc(F)cn3)CC2)c1[O-] ZINC000273562827 550503081 /nfs/dbraw/zinc/50/30/81/550503081.db2.gz CIXCZTYWOAPDOX-UHFFFAOYSA-N -1 1 364.808 2.500 20 10 FECDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276691927 550585681 /nfs/dbraw/zinc/58/56/81/550585681.db2.gz QGIIQUQGMLWYPF-UHFFFAOYSA-N -1 1 360.385 2.346 20 10 FECDMM O=C(NC1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1)c1ccccc1 ZINC000276771346 550593894 /nfs/dbraw/zinc/59/38/94/550593894.db2.gz YKBJOIAKQJNRHZ-UHFFFAOYSA-N -1 1 358.369 2.272 20 10 FECDMM CCNC(=O)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000292699549 552750678 /nfs/dbraw/zinc/75/06/78/552750678.db2.gz GLDVGFWCAQEYGO-LBPRGKRZSA-N -1 1 372.263 2.115 20 10 FECDMM O=C(NCc1ccccc1CN1CCCC1=O)c1c(F)ccc(O)c1[O-] ZINC000294792442 552934653 /nfs/dbraw/zinc/93/46/53/552934653.db2.gz HQWIVWGOAVMWIQ-UHFFFAOYSA-N -1 1 358.369 2.289 20 10 FECDMM O=C(NCC1CCN(CC(F)(F)F)CC1)c1c(F)ccc(O)c1[O-] ZINC000295349302 552991942 /nfs/dbraw/zinc/99/19/42/552991942.db2.gz QOJIUFZEESOZFF-UHFFFAOYSA-N -1 1 350.312 2.241 20 10 FECDMM CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000295864780 553069057 /nfs/dbraw/zinc/06/90/57/553069057.db2.gz OOVULPKVOSRMAN-UHFFFAOYSA-N -1 1 373.428 2.131 20 10 FECDMM O=C([O-])N[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740596538 605903607 /nfs/dbraw/zinc/90/36/07/605903607.db2.gz MVBOBQRFTNZTDI-ZDUSSCGKSA-N -1 1 356.378 2.171 20 10 FECDMM C[C@H](Cc1ccc(O)c(O)c1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824457113 609417441 /nfs/dbraw/zinc/41/74/41/609417441.db2.gz FFLMLBOGRYFYDM-SNVBAGLBSA-N -1 1 363.381 2.264 20 10 FECDMM C[C@H](Cc1ccc(O)c(O)c1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824457113 609417445 /nfs/dbraw/zinc/41/74/45/609417445.db2.gz FFLMLBOGRYFYDM-SNVBAGLBSA-N -1 1 363.381 2.264 20 10 FECDMM O=C1CN(Cc2ccccc2)[C@@H](c2cc(O)cc(Br)c2[O-])N1 ZINC000112370276 670871520 /nfs/dbraw/zinc/87/15/20/670871520.db2.gz PIPDBKNFSQSYMQ-INIZCTEOSA-N -1 1 363.211 2.491 20 10 FECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000743259723 673754102 /nfs/dbraw/zinc/75/41/02/673754102.db2.gz LWXQPVQGCRNBRB-UHFFFAOYSA-N -1 1 355.437 2.213 20 10 FECDMM COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(Cl)c1[O-] ZINC000747148466 673909419 /nfs/dbraw/zinc/90/94/19/673909419.db2.gz YYGHNDDVQFCHDT-WQLSENKSSA-N -1 1 354.815 2.357 20 10 FECDMM CC(=O)c1cc(CN2C[C@@H]3C[C@H]2CS3)c([O-])c(CN2CCOCC2)c1 ZINC000840167663 680803870 /nfs/dbraw/zinc/80/38/70/680803870.db2.gz CDPFAADGTGXYHJ-ROUUACIJSA-N -1 1 362.495 2.117 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C1(C(=O)NC2CC2)CCC1 ZINC000765758468 680854183 /nfs/dbraw/zinc/85/41/83/680854183.db2.gz XSNLHLUBGMTIMO-UHFFFAOYSA-N -1 1 367.243 2.220 20 10 FECDMM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1[O-] ZINC000749259197 680034783 /nfs/dbraw/zinc/03/47/83/680034783.db2.gz UNGNMVKANXUMQP-ZDUSSCGKSA-N -1 1 364.833 2.177 20 10 FECDMM CO[C@@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836571916 680485139 /nfs/dbraw/zinc/48/51/39/680485139.db2.gz CHXCGZLLAOCXJF-GXFFZTMASA-N -1 1 373.247 2.005 20 10 FECDMM COc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000758279501 680567693 /nfs/dbraw/zinc/56/76/93/680567693.db2.gz RGDGAMOAGFDVPM-UHFFFAOYSA-N -1 1 361.379 2.489 20 10 FECDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1OC ZINC000769738386 680993234 /nfs/dbraw/zinc/99/32/34/680993234.db2.gz KQBFWBHPDKORDS-UHFFFAOYSA-N -1 1 364.423 2.439 20 10 FECDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nc([C@H]3CCCO3)n[nH]2)c1[O-] ZINC000848561871 681579121 /nfs/dbraw/zinc/57/91/21/681579121.db2.gz FCHQSPQELQWMHK-LLVKDONJSA-N -1 1 353.766 2.213 20 10 FECDMM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000849335155 681688866 /nfs/dbraw/zinc/68/88/66/681688866.db2.gz OFNHJCCVVNYMHE-UHFFFAOYSA-N -1 1 359.451 2.495 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2c2ncon2)c1 ZINC000781919950 681989323 /nfs/dbraw/zinc/98/93/23/681989323.db2.gz GMVUYCQQJOPRGJ-LBPRGKRZSA-N -1 1 354.204 2.420 20 10 FECDMM COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617521 685526189 /nfs/dbraw/zinc/52/61/89/685526189.db2.gz ALUCGQZNTQHJJN-UHFFFAOYSA-N -1 1 351.742 2.382 20 10 FECDMM O=C(CCOCC(F)(F)C(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784937670 682262733 /nfs/dbraw/zinc/26/27/33/682262733.db2.gz LWWPWJGFPUNKKR-UHFFFAOYSA-N -1 1 354.252 2.131 20 10 FECDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000852437945 682279149 /nfs/dbraw/zinc/27/91/49/682279149.db2.gz KLVRKFABBLZCGN-YPMHNXCESA-N -1 1 373.247 2.005 20 10 FECDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797819607 683275908 /nfs/dbraw/zinc/27/59/08/683275908.db2.gz OKEPIIIHJTYRCJ-UHFFFAOYSA-N -1 1 352.368 2.380 20 10 FECDMM Cn1nnc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc21 ZINC000872003393 684911488 /nfs/dbraw/zinc/91/14/88/684911488.db2.gz PGZPILOIKLKLNC-UHFFFAOYSA-N -1 1 357.439 2.369 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCN([S@](C)(=N)=O)CC2)c1 ZINC000877793492 686463522 /nfs/dbraw/zinc/46/35/22/686463522.db2.gz YQUMJKOGKXIRND-FQEVSTJZSA-N -1 1 362.293 2.172 20 10 FECDMM CCOC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C(F)(F)F ZINC000881467359 687136287 /nfs/dbraw/zinc/13/62/87/687136287.db2.gz YLSHLEUVHFTQNO-HTQZYQBOSA-N -1 1 365.279 2.051 20 10 FECDMM Cn1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC000908329585 691660624 /nfs/dbraw/zinc/66/06/24/691660624.db2.gz RXVJMPORUGBVOO-UHFFFAOYSA-N -1 1 369.752 2.276 20 10 FECDMM COc1ccc(N2CCN(C(=O)c3c(C)[n-]c(=O)nc3SC)CC2)cc1 ZINC000266976206 550025669 /nfs/dbraw/zinc/02/56/69/550025669.db2.gz WDZVPKAYIGMKCH-UHFFFAOYSA-N -1 1 374.466 2.184 20 10 FECDMM CC[C@@H](C)NC(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277425877 550668964 /nfs/dbraw/zinc/66/89/64/550668964.db2.gz LLZKASLDHCTWMA-SNVBAGLBSA-N -1 1 372.263 2.259 20 10 FECDMM CCCNC(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277575891 550686693 /nfs/dbraw/zinc/68/66/93/550686693.db2.gz QZJGFHIZPACBPP-UHFFFAOYSA-N -1 1 357.248 2.467 20 10 FECDMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277584153 550687687 /nfs/dbraw/zinc/68/76/87/550687687.db2.gz SSUUIWRYROZRIM-VHSXEESVSA-N -1 1 372.263 2.257 20 10 FECDMM C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000278044620 550742736 /nfs/dbraw/zinc/74/27/36/550742736.db2.gz WFFGNKFGSUAKAN-SNVBAGLBSA-N -1 1 355.232 2.029 20 10 FECDMM Cc1cc(CNC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000284099233 551483331 /nfs/dbraw/zinc/48/33/31/551483331.db2.gz FWEQGXBHFNOPJZ-UHFFFAOYSA-N -1 1 353.220 2.196 20 10 FECDMM Cn1cnc2c1nccc2C(=O)NCc1cccc(Br)c1[O-] ZINC000807416487 674415064 /nfs/dbraw/zinc/41/50/64/674415064.db2.gz HLAXWJJWEWNAPP-UHFFFAOYSA-N -1 1 361.199 2.366 20 10 FECDMM CNc1nc(C)cc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000807416606 674414972 /nfs/dbraw/zinc/41/49/72/674414972.db2.gz JZVWXRLOFGKWAH-UHFFFAOYSA-N -1 1 351.204 2.225 20 10 FECDMM C[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1C(=O)[O-] ZINC000828455741 601816524 /nfs/dbraw/zinc/81/65/24/601816524.db2.gz FWIJIJQUDNNNGM-DOMZBBRYSA-N -1 1 355.390 2.481 20 10 FECDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000833742577 605259136 /nfs/dbraw/zinc/25/91/36/605259136.db2.gz PPSVXBQKWGXSIY-HNNXBMFYSA-N -1 1 370.453 2.110 20 10 FECDMM C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000824622153 605520409 /nfs/dbraw/zinc/52/04/09/605520409.db2.gz KOCKZDHMCLSPJZ-SMDDNHRTSA-N -1 1 369.849 2.172 20 10 FECDMM O=C([O-])NCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000832608661 605522599 /nfs/dbraw/zinc/52/25/99/605522599.db2.gz LTKAVTQQJWFGHM-AWEZNQCLSA-N -1 1 369.849 2.174 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1 ZINC000811517951 674610658 /nfs/dbraw/zinc/61/06/58/674610658.db2.gz FADYTSHEKOOMBS-GHMZBOCLSA-N -1 1 362.289 2.471 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)[N-]C1=S ZINC000060865278 670390180 /nfs/dbraw/zinc/39/01/80/670390180.db2.gz YSBWRTSJMXJMJF-LFTLCWSBSA-N -1 1 361.471 2.049 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000255127697 672884991 /nfs/dbraw/zinc/88/49/91/672884991.db2.gz WCPQGRCITQALMU-MDWZMJQESA-N -1 1 351.859 2.213 20 10 FECDMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825845858 675670972 /nfs/dbraw/zinc/67/09/72/675670972.db2.gz YZGHEFWADPBPTH-JTQLQIEISA-N -1 1 354.378 2.366 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](C)S(=O)(=O)CC2)c1 ZINC000763626090 680788054 /nfs/dbraw/zinc/78/80/54/680788054.db2.gz LFMAHTLWWVTDDI-LLVKDONJSA-N -1 1 362.289 2.472 20 10 FECDMM CC(C)OC(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764759245 680820366 /nfs/dbraw/zinc/82/03/66/680820366.db2.gz WNQBHKPOUOVXFW-UHFFFAOYSA-N -1 1 359.220 2.296 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1C ZINC000766047858 680864165 /nfs/dbraw/zinc/86/41/65/680864165.db2.gz MBBASEMJNMOXRS-UHFFFAOYSA-N -1 1 363.391 2.491 20 10 FECDMM C[C@H](NCc1nnnn1C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756730820 680495201 /nfs/dbraw/zinc/49/52/01/680495201.db2.gz BVDKWLDVPZNURY-ZETCQYMHSA-N -1 1 356.199 2.466 20 10 FECDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769586188 680987954 /nfs/dbraw/zinc/98/79/54/680987954.db2.gz OZANFMKUBKBODC-UHFFFAOYSA-N -1 1 365.367 2.233 20 10 FECDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773088152 681125001 /nfs/dbraw/zinc/12/50/01/681125001.db2.gz NABOQZPGLCLWDL-LLVKDONJSA-N -1 1 350.400 2.095 20 10 FECDMM CN(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)S(C)(=O)=O ZINC000775663780 681322628 /nfs/dbraw/zinc/32/26/28/681322628.db2.gz OWKFKRKGHHLNCJ-UHFFFAOYSA-N -1 1 350.843 2.041 20 10 FECDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000849388592 681708669 /nfs/dbraw/zinc/70/86/69/681708669.db2.gz VGMFPZQLRCADKH-LLVKDONJSA-N -1 1 350.400 2.095 20 10 FECDMM Cc1nc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000790252068 682662763 /nfs/dbraw/zinc/66/27/63/682662763.db2.gz NFRQJWZWVBFMKT-UHFFFAOYSA-N -1 1 355.803 2.373 20 10 FECDMM O=C(NCCOC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000927504510 683256475 /nfs/dbraw/zinc/25/64/75/683256475.db2.gz RSKMGWQGNPIXLU-UHFFFAOYSA-N -1 1 373.247 2.150 20 10 FECDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819934 683276583 /nfs/dbraw/zinc/27/65/83/683276583.db2.gz XKIKEQXRVVQIGD-UHFFFAOYSA-N -1 1 351.380 2.378 20 10 FECDMM COCCNS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000922368755 683708527 /nfs/dbraw/zinc/70/85/27/683708527.db2.gz KXOIJAARGYDYLU-UHFFFAOYSA-N -1 1 372.393 2.207 20 10 FECDMM CC(C)(C)N1C[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000895851294 689780785 /nfs/dbraw/zinc/78/07/85/689780785.db2.gz KUZVCHGYMSRNMI-LLVKDONJSA-N -1 1 353.850 2.492 20 10 FECDMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2N1 ZINC000055545913 540658074 /nfs/dbraw/zinc/65/80/74/540658074.db2.gz QGJKFTNHUNRQPL-UHFFFAOYSA-N -1 1 360.391 2.491 20 10 FECDMM C[C@@H](O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000804802564 674301546 /nfs/dbraw/zinc/30/15/46/674301546.db2.gz JAGCKSNXLXNZQG-SECBINFHSA-N -1 1 368.386 2.208 20 10 FECDMM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])N1CCCC1=O ZINC000277488488 550676695 /nfs/dbraw/zinc/67/66/95/550676695.db2.gz JHKVLXOFNFJPDM-GFCCVEGCSA-N -1 1 355.232 2.172 20 10 FECDMM Cc1nn(C)c(C)c1C(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277432168 550669532 /nfs/dbraw/zinc/66/95/32/550669532.db2.gz DTEPFYINQDNVCM-UHFFFAOYSA-N -1 1 366.215 2.004 20 10 FECDMM Cn1cc(C(=O)CCC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000282016804 551170011 /nfs/dbraw/zinc/17/00/11/551170011.db2.gz XCLRJLMJYBGSFS-UHFFFAOYSA-N -1 1 366.215 2.168 20 10 FECDMM COc1c([O-])c(CN[C@H](C)c2noc(COC(C)C)n2)ccc1[N+](=O)[O-] ZINC000290986769 552572836 /nfs/dbraw/zinc/57/28/36/552572836.db2.gz UPZIFBQHPDXIQR-SNVBAGLBSA-N -1 1 366.374 2.468 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)[C@@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000373206138 557649935 /nfs/dbraw/zinc/64/99/35/557649935.db2.gz SQALFTVXDSBPBG-INIZCTEOSA-N -1 1 371.393 2.291 20 10 FECDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000739794249 600315819 /nfs/dbraw/zinc/31/58/19/600315819.db2.gz XHZIPASUNSEZTQ-OAHLLOKOSA-N -1 1 365.813 2.372 20 10 FECDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000739794249 600315823 /nfs/dbraw/zinc/31/58/23/600315823.db2.gz XHZIPASUNSEZTQ-OAHLLOKOSA-N -1 1 365.813 2.372 20 10 FECDMM C[C@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000824622152 605520694 /nfs/dbraw/zinc/52/06/94/605520694.db2.gz KOCKZDHMCLSPJZ-RISCZKNCSA-N -1 1 369.849 2.172 20 10 FECDMM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827544474 675763946 /nfs/dbraw/zinc/76/39/46/675763946.db2.gz BSSYFEYBFSIPGT-GFCCVEGCSA-N -1 1 356.810 2.142 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])C1C[C@@H]2COC[C@H](C1)C2=O ZINC000765736468 680853188 /nfs/dbraw/zinc/85/31/88/680853188.db2.gz MAUHHFOIVRZFPW-YOGCLGLASA-N -1 1 368.227 2.013 20 10 FECDMM Cc1ccncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765902892 680859023 /nfs/dbraw/zinc/85/90/23/680859023.db2.gz FSUDGPCKYOOKLZ-UHFFFAOYSA-N -1 1 364.199 2.113 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000832462234 680136907 /nfs/dbraw/zinc/13/69/07/680136907.db2.gz BMLIUQSJBQBKHJ-LSDHHAIUSA-N -1 1 357.859 2.400 20 10 FECDMM CO[C@@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CCOCC1 ZINC000842586276 680953689 /nfs/dbraw/zinc/95/36/89/680953689.db2.gz OXSQAHMWESIZEF-AWEZNQCLSA-N -1 1 367.826 2.368 20 10 FECDMM CN1CCCc2cc(CNC(=O)c3ccc4n[n-]c(=S)n4c3)ccc21 ZINC000773876735 681158318 /nfs/dbraw/zinc/15/83/18/681158318.db2.gz CAXDCGSRXNPSPL-UHFFFAOYSA-N -1 1 353.451 2.330 20 10 FECDMM CC(C)(C)OC(=O)C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000849957473 681828395 /nfs/dbraw/zinc/82/83/95/681828395.db2.gz BVCJRVYFJJGOJC-UHFFFAOYSA-N -1 1 350.367 2.336 20 10 FECDMM O=C(COC(=O)c1cccc(Br)n1)c1ccc([O-])c(O)c1 ZINC000784446553 682227400 /nfs/dbraw/zinc/22/74/00/682227400.db2.gz HCMFWLZJTIJVCZ-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789958079 682640692 /nfs/dbraw/zinc/64/06/92/682640692.db2.gz NHFHIZFUTYWJOR-JTQLQIEISA-N -1 1 354.378 2.366 20 10 FECDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000795301873 683036959 /nfs/dbraw/zinc/03/69/59/683036959.db2.gz LSXVHWADKFBQCK-UHFFFAOYSA-N -1 1 369.468 2.343 20 10 FECDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819735 683275740 /nfs/dbraw/zinc/27/57/40/683275740.db2.gz PYBUQCSOOGUHHJ-UHFFFAOYSA-N -1 1 355.343 2.127 20 10 FECDMM CN(C)C(=O)Cn1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000882966401 687535694 /nfs/dbraw/zinc/53/56/94/687535694.db2.gz CYCFRXSCNKFBDK-UHFFFAOYSA-N -1 1 371.210 2.191 20 10 FECDMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757771 688962697 /nfs/dbraw/zinc/96/26/97/688962697.db2.gz LIGRPQNKKAXJCN-AWEZNQCLSA-N -1 1 374.890 2.256 20 10 FECDMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760704 688963198 /nfs/dbraw/zinc/96/31/98/688963198.db2.gz XBPQYTPIXVQEHX-ZDUSSCGKSA-N -1 1 370.833 2.298 20 10 FECDMM O=C1NCCN1[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893967555 689439508 /nfs/dbraw/zinc/43/95/08/689439508.db2.gz OAUNYYWMEWZTRA-GFCCVEGCSA-N -1 1 372.238 2.283 20 10 FECDMM COCCN(Cc1cc(Cl)cc(Br)c1[O-])[C@H](C)C(N)=O ZINC000894006912 689448170 /nfs/dbraw/zinc/44/81/70/689448170.db2.gz ZERRSNZCDYMMHD-MRVPVSSYSA-N -1 1 365.655 2.130 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H](n1cncn1)C(F)(F)F ZINC000896100954 689819950 /nfs/dbraw/zinc/81/99/50/689819950.db2.gz RELNAIZTXQXRID-JTQLQIEISA-N -1 1 363.727 2.240 20 10 FECDMM CC1(C)COc2c(S(=O)(=O)[N-]c3ccc(O)c(F)c3F)cnn2C1 ZINC000901932048 690716163 /nfs/dbraw/zinc/71/61/63/690716163.db2.gz QTHTUZJANFSWPT-UHFFFAOYSA-N -1 1 359.354 2.086 20 10 FECDMM O=C1CCC(S(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000907154788 691409826 /nfs/dbraw/zinc/40/98/26/691409826.db2.gz FNURDXIEJDGCHJ-UHFFFAOYSA-N -1 1 362.245 2.086 20 10 FECDMM CCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000801584201 674138212 /nfs/dbraw/zinc/13/82/12/674138212.db2.gz DAYGUPVJZWTBGI-CQSZACIVSA-N -1 1 352.818 2.218 20 10 FECDMM CCN(CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000188068429 548270400 /nfs/dbraw/zinc/27/04/00/548270400.db2.gz NPFFKDHCVYGYJU-UHFFFAOYSA-N -1 1 366.053 2.224 20 10 FECDMM CC(C)Cc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000263825767 549942297 /nfs/dbraw/zinc/94/22/97/549942297.db2.gz ZVBINGYCTGZABP-UHFFFAOYSA-N -1 1 370.456 2.066 20 10 FECDMM CCCc1csc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000271080751 550338444 /nfs/dbraw/zinc/33/84/44/550338444.db2.gz VRVNLUGEQCSHOI-UHFFFAOYSA-N -1 1 355.441 2.425 20 10 FECDMM CC(C)COC(=O)N1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276533322 550578975 /nfs/dbraw/zinc/57/89/75/550578975.db2.gz FDNGJUZNVOZNSP-UHFFFAOYSA-N -1 1 354.378 2.177 20 10 FECDMM O=C(c1ccsc1)N1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276549540 550579064 /nfs/dbraw/zinc/57/90/64/550579064.db2.gz HHTSDTBXAXFWGH-UHFFFAOYSA-N -1 1 364.398 2.287 20 10 FECDMM O=C(NCCOCC(F)F)NCc1cccc(Br)c1[O-] ZINC000277381290 550663386 /nfs/dbraw/zinc/66/33/86/550663386.db2.gz IGHDSRQMEYWTJC-UHFFFAOYSA-N -1 1 353.163 2.236 20 10 FECDMM COC(=O)N(C)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277402506 550666215 /nfs/dbraw/zinc/66/62/15/550666215.db2.gz BKZAYUUWKRQPFD-UHFFFAOYSA-N -1 1 359.220 2.249 20 10 FECDMM CCOC[C@@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000296066369 553098939 /nfs/dbraw/zinc/09/89/39/553098939.db2.gz GKLPKXXOZSYYPD-SNVBAGLBSA-N -1 1 366.277 2.247 20 10 FECDMM COC[C@@]1(CNC(=O)c2c(F)ccc(O)c2[O-])OCCc2ccccc21 ZINC000296070243 553100266 /nfs/dbraw/zinc/10/02/66/553100266.db2.gz OOYFKOVZSCDEKT-LJQANCHMSA-N -1 1 361.369 2.081 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1O ZINC000370459107 556879257 /nfs/dbraw/zinc/87/92/57/556879257.db2.gz CVRNVGRULZTVCG-UHFFFAOYSA-N -1 1 362.407 2.476 20 10 FECDMM Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000377595091 558373106 /nfs/dbraw/zinc/37/31/06/558373106.db2.gz KNQWPAKGNPHWLP-KRWDZBQOSA-N -1 1 366.425 2.129 20 10 FECDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735873547 598989387 /nfs/dbraw/zinc/98/93/87/598989387.db2.gz GJRJADXLGNUMPI-UHFFFAOYSA-N -1 1 365.441 2.379 20 10 FECDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735873547 598989389 /nfs/dbraw/zinc/98/93/89/598989389.db2.gz GJRJADXLGNUMPI-UHFFFAOYSA-N -1 1 365.441 2.379 20 10 FECDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000742278824 673718002 /nfs/dbraw/zinc/71/80/02/673718002.db2.gz JGWIPFIIIIJCRM-UHFFFAOYSA-N -1 1 364.427 2.315 20 10 FECDMM O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(F)cc(F)c1[O-] ZINC000821192795 675420855 /nfs/dbraw/zinc/42/08/55/675420855.db2.gz XVQIYUUYTYGVOI-UHFFFAOYSA-N -1 1 352.322 2.256 20 10 FECDMM COc1c([O-])c(CNCc2nn(C)cc2Br)ccc1[N+](=O)[O-] ZINC000824783036 675621908 /nfs/dbraw/zinc/62/19/08/675621908.db2.gz BYWJVGWKSWEDHR-UHFFFAOYSA-N -1 1 371.191 2.095 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cn(CC2CC2)nn1 ZINC000830529172 677045059 /nfs/dbraw/zinc/04/50/59/677045059.db2.gz DYJIKBKZDWBAMN-UHFFFAOYSA-N -1 1 351.204 2.086 20 10 FECDMM C[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])[S@](C)=O ZINC000764801910 680821507 /nfs/dbraw/zinc/82/15/07/680821507.db2.gz VWLHBDGEKDTALX-YBYGRFCBSA-N -1 1 363.277 2.111 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCn2ccnc2C1 ZINC000764806355 680821675 /nfs/dbraw/zinc/82/16/75/680821675.db2.gz OXNHJDQXUCFFLY-NSHDSACASA-N -1 1 365.231 2.165 20 10 FECDMM CC1(C)OCC(NC(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000765538075 680845819 /nfs/dbraw/zinc/84/58/19/680845819.db2.gz TWBOOCPLCQZHLE-UHFFFAOYSA-N -1 1 359.220 2.105 20 10 FECDMM NC(=O)c1csc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765732654 680853022 /nfs/dbraw/zinc/85/30/22/680853022.db2.gz RETBVEOIHVIFGD-UHFFFAOYSA-N -1 1 355.213 2.245 20 10 FECDMM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000874043742 685278548 /nfs/dbraw/zinc/27/85/48/685278548.db2.gz YTWONJWFCZNUDM-HNNXBMFYSA-N -1 1 358.232 2.386 20 10 FECDMM COC(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000831997366 680072600 /nfs/dbraw/zinc/07/26/00/680072600.db2.gz BNZWUOBGBIWDQV-UHFFFAOYSA-N -1 1 363.801 2.316 20 10 FECDMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1 ZINC000753015599 680270837 /nfs/dbraw/zinc/27/08/37/680270837.db2.gz OGXFVHDNMLZWMZ-UHFFFAOYSA-N -1 1 372.349 2.438 20 10 FECDMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3F)c(F)cc2N1 ZINC000758170758 680559078 /nfs/dbraw/zinc/55/90/78/680559078.db2.gz MOABQEPQKSKULA-UHFFFAOYSA-N -1 1 354.334 2.356 20 10 FECDMM COCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000769543125 680986664 /nfs/dbraw/zinc/98/66/64/680986664.db2.gz PMFYCNOWKOFDJG-UHFFFAOYSA-N -1 1 350.396 2.162 20 10 FECDMM Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cccc1[N+](=O)[O-] ZINC000769604813 680988801 /nfs/dbraw/zinc/98/88/01/680988801.db2.gz KXEJFYOWWUZWFN-UHFFFAOYSA-N -1 1 365.367 2.233 20 10 FECDMM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc2O1 ZINC000769824956 680996521 /nfs/dbraw/zinc/99/65/21/680996521.db2.gz YYAXVSCRYREARN-LLVKDONJSA-N -1 1 362.407 2.191 20 10 FECDMM Cc1cc(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1O ZINC000776748102 681433073 /nfs/dbraw/zinc/43/30/73/681433073.db2.gz XDXOHQKHQDMUTG-UHFFFAOYSA-N -1 1 374.415 2.012 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN(C2CC2)C1=O ZINC000935663390 681796874 /nfs/dbraw/zinc/79/68/74/681796874.db2.gz UBFGOSQCVLXBEB-LBPRGKRZSA-N -1 1 367.243 2.172 20 10 FECDMM Cc1cc2c(cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OCO2 ZINC000781383487 681928070 /nfs/dbraw/zinc/92/80/70/681928070.db2.gz ILWKRUDTYRTNAY-UHFFFAOYSA-N -1 1 364.379 2.053 20 10 FECDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000852437944 682278955 /nfs/dbraw/zinc/27/89/55/682278955.db2.gz KLVRKFABBLZCGN-WCQYABFASA-N -1 1 373.247 2.005 20 10 FECDMM O=C(Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)NCCO ZINC000790976723 682717570 /nfs/dbraw/zinc/71/75/70/682717570.db2.gz AGPGSYXZEVJQMB-UHFFFAOYSA-N -1 1 352.793 2.448 20 10 FECDMM O=C1[N-]C(=S)S/C1=C\c1ncc(I)s1 ZINC000794690028 682989970 /nfs/dbraw/zinc/98/99/70/682989970.db2.gz GQPBNLHVVIFDSU-IWQZZHSRSA-N -1 1 354.219 2.237 20 10 FECDMM CCn1nc2c(cc1=O)C[N@@H+](Cc1c(O)cccc1Br)CC2 ZINC000862251067 683558994 /nfs/dbraw/zinc/55/89/94/683558994.db2.gz ZWIVBFZOJLSXCL-UHFFFAOYSA-N -1 1 364.243 2.290 20 10 FECDMM COc1c([O-])c(CN[C@@H](c2cnn(C)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862364376 683577577 /nfs/dbraw/zinc/57/75/77/683577577.db2.gz AAJOBKYFVIQGNP-ZDUSSCGKSA-N -1 1 360.292 2.436 20 10 FECDMM CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862551011 683600320 /nfs/dbraw/zinc/60/03/20/683600320.db2.gz JEUQDXZSFKWWPG-JTQLQIEISA-N -1 1 367.298 2.460 20 10 FECDMM [O-]c1c(Br)cc(Cl)cc1CNCc1nnc2n1CCOC2 ZINC000883102124 687565341 /nfs/dbraw/zinc/56/53/41/687565341.db2.gz HERQOZVRLBAEMT-UHFFFAOYSA-N -1 1 373.638 2.220 20 10 FECDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000890756773 688962660 /nfs/dbraw/zinc/96/26/60/688962660.db2.gz HMAKXMUKEDMDMW-RAIGVLPGSA-N -1 1 364.829 2.226 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000890758134 688962699 /nfs/dbraw/zinc/96/26/99/688962699.db2.gz RPQKVLKERLEJMH-WCBMZHEXSA-N -1 1 350.724 2.119 20 10 FECDMM CC(C)(C)N1C[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000895851295 689780792 /nfs/dbraw/zinc/78/07/92/689780792.db2.gz KUZVCHGYMSRNMI-NSHDSACASA-N -1 1 353.850 2.492 20 10 FECDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccn1 ZINC000132695128 544240722 /nfs/dbraw/zinc/24/07/22/544240722.db2.gz SAAYEOOQUQPLPK-AWEZNQCLSA-N -1 1 351.414 2.022 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000276494729 550578762 /nfs/dbraw/zinc/57/87/62/550578762.db2.gz BIFUGBYKUGBKTI-NSHDSACASA-N -1 1 356.357 2.299 20 10 FECDMM CCNC(=O)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277590208 550688842 /nfs/dbraw/zinc/68/88/42/550688842.db2.gz UEDDWHXSFYURNP-UHFFFAOYSA-N -1 1 372.263 2.116 20 10 FECDMM COc1ccc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000287568146 552020199 /nfs/dbraw/zinc/02/01/99/552020199.db2.gz FATQECKNKJXIQE-UHFFFAOYSA-N -1 1 358.369 2.071 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000295343555 552990983 /nfs/dbraw/zinc/99/09/83/552990983.db2.gz YCEOJXYMOCWOOL-JTQLQIEISA-N -1 1 350.321 2.455 20 10 FECDMM C[C@H]1CCCN1C(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828271807 601006491 /nfs/dbraw/zinc/00/64/91/601006491.db2.gz PVJHHZMPRSRNQS-LBPRGKRZSA-N -1 1 354.834 2.333 20 10 FECDMM C[C@H]1CCCN1C(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828271807 601006492 /nfs/dbraw/zinc/00/64/92/601006492.db2.gz PVJHHZMPRSRNQS-LBPRGKRZSA-N -1 1 354.834 2.333 20 10 FECDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccn1 ZINC000832861663 601095575 /nfs/dbraw/zinc/09/55/75/601095575.db2.gz JFTWICPJOHFLMR-AWEZNQCLSA-N -1 1 370.453 2.110 20 10 FECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CC=CC2)cc1 ZINC000823625589 606712819 /nfs/dbraw/zinc/71/28/19/606712819.db2.gz YRHNVPNHILTBMU-UHFFFAOYSA-N -1 1 364.369 2.158 20 10 FECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CC=CC2)cc1 ZINC000823625589 606712820 /nfs/dbraw/zinc/71/28/20/606712820.db2.gz YRHNVPNHILTBMU-UHFFFAOYSA-N -1 1 364.369 2.158 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cccc3cnccc32)C(=O)[N-]C1=S ZINC000255752246 672896332 /nfs/dbraw/zinc/89/63/32/672896332.db2.gz AOBQGIUBLWVNIS-NTEUORMPSA-N -1 1 354.435 2.430 20 10 FECDMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000743259727 673754137 /nfs/dbraw/zinc/75/41/37/673754137.db2.gz MDOZMCFPSBSIGP-UHFFFAOYSA-N -1 1 355.437 2.295 20 10 FECDMM C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839789342 680779302 /nfs/dbraw/zinc/77/93/02/680779302.db2.gz UHRWHFQZVZJYRW-VIFPVBQESA-N -1 1 350.312 2.193 20 10 FECDMM NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748609 680853882 /nfs/dbraw/zinc/85/38/82/680853882.db2.gz XTPGPEFQLYBLFA-NXEZZACHSA-N -1 1 355.232 2.063 20 10 FECDMM CCOc1cnc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765770335 680854766 /nfs/dbraw/zinc/85/47/66/680854766.db2.gz OLMUUWLBUBJIQF-UHFFFAOYSA-N -1 1 352.188 2.273 20 10 FECDMM Cc1ncccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926680 680859493 /nfs/dbraw/zinc/85/94/93/680859493.db2.gz OZCQRBHGZCVWEW-UHFFFAOYSA-N -1 1 364.199 2.113 20 10 FECDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000753923856 680324825 /nfs/dbraw/zinc/32/48/25/680324825.db2.gz OJGAOEGWIBLCBG-UHFFFAOYSA-N -1 1 367.770 2.464 20 10 FECDMM CSc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000769755338 680993907 /nfs/dbraw/zinc/99/39/07/680993907.db2.gz XPFHCGZIFVEXHE-UHFFFAOYSA-N -1 1 353.425 2.133 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773082881 681125063 /nfs/dbraw/zinc/12/50/63/681125063.db2.gz BVHJYIDGUPIAJK-LLVKDONJSA-N -1 1 352.412 2.172 20 10 FECDMM CC[C@H](C)n1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000775952208 681351948 /nfs/dbraw/zinc/35/19/48/681351948.db2.gz UEHDTCTYPBZUJX-JTQLQIEISA-N -1 1 366.443 2.492 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)cc1C ZINC000851763796 682125546 /nfs/dbraw/zinc/12/55/46/682125546.db2.gz FKRJXPQQFPDYNJ-UHFFFAOYSA-N -1 1 366.439 2.228 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)cc1C ZINC000851766234 682126389 /nfs/dbraw/zinc/12/63/89/682126389.db2.gz XBTZZJONBMDHCE-SNVBAGLBSA-N -1 1 369.395 2.128 20 10 FECDMM COC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1ccn(C)n1 ZINC000787437816 682457557 /nfs/dbraw/zinc/45/75/57/682457557.db2.gz DOOKIJUAGQQUFO-CYBMUJFWSA-N -1 1 368.231 2.201 20 10 FECDMM CCC(CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCOCC1 ZINC000790070608 682654624 /nfs/dbraw/zinc/65/46/24/682654624.db2.gz VYEJPFJODXOAQW-CQSZACIVSA-N -1 1 354.422 2.104 20 10 FECDMM CCOC(=O)[C@]1(F)CN(C(=O)c2c(F)ccc(O)c2[O-])CC12CCC2 ZINC000857302017 682874427 /nfs/dbraw/zinc/87/44/27/682874427.db2.gz CYYWPOODDXCDEM-QGZVFWFLSA-N -1 1 355.337 2.134 20 10 FECDMM COC(=O)C1=CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858732944 682996562 /nfs/dbraw/zinc/99/65/62/682996562.db2.gz GDHNNDPJAVFFPB-NSHDSACASA-N -1 1 369.215 2.216 20 10 FECDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1OC ZINC000799125037 683424922 /nfs/dbraw/zinc/42/49/22/683424922.db2.gz ZRKUNEBQOWVGSY-UHFFFAOYSA-N -1 1 351.380 2.297 20 10 FECDMM CC(C)(C)OCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000867195789 684224084 /nfs/dbraw/zinc/22/40/84/684224084.db2.gz YHZZUEPMHSSRCX-UHFFFAOYSA-N -1 1 366.277 2.389 20 10 FECDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)ccc(O)c1[O-] ZINC000881188566 687116538 /nfs/dbraw/zinc/11/65/38/687116538.db2.gz FDGBTOGGIGKJMV-UWVGGRQHSA-N -1 1 352.362 2.071 20 10 FECDMM C[C@H](NCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000883335630 687609270 /nfs/dbraw/zinc/60/92/70/687609270.db2.gz XPIKCGOBURZJJE-QMMMGPOBSA-N -1 1 368.224 2.291 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1[O-] ZINC000134359970 544304806 /nfs/dbraw/zinc/30/48/06/544304806.db2.gz IWLKTXMUYITNST-CQSZACIVSA-N -1 1 374.890 2.150 20 10 FECDMM COC(=O)c1c[n-]c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000274887390 550562571 /nfs/dbraw/zinc/56/25/71/550562571.db2.gz FCQRPQBFARFFSX-UHFFFAOYSA-N -1 1 362.455 2.013 20 10 FECDMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277584142 550687869 /nfs/dbraw/zinc/68/78/69/550687869.db2.gz SSUUIWRYROZRIM-UWVGGRQHSA-N -1 1 372.263 2.257 20 10 FECDMM COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133791 550752886 /nfs/dbraw/zinc/75/28/86/550752886.db2.gz CPNMZIZBOLWZHY-IINYFYTJSA-N -1 1 364.320 2.444 20 10 FECDMM O=C([O-])NC[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740644450 602268466 /nfs/dbraw/zinc/26/84/66/602268466.db2.gz UCKRYSJCTTUVHU-ZDUSSCGKSA-N -1 1 370.405 2.418 20 10 FECDMM Cc1csc(-c2ccc(NC(=O)C3=S=C(c4nn[n-]n4)C=C3)cc2)n1 ZINC000822410119 606545111 /nfs/dbraw/zinc/54/51/11/606545111.db2.gz XFJRHJUQGQZJSW-UHFFFAOYSA-N -1 1 368.447 2.266 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)[N-]C1=S ZINC000814319099 674831878 /nfs/dbraw/zinc/83/18/78/674831878.db2.gz OMHIXXMZEBJZAR-UXBLZVDNSA-N -1 1 353.831 2.241 20 10 FECDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)[N-]C1=S ZINC000029003864 670094011 /nfs/dbraw/zinc/09/40/11/670094011.db2.gz OMHIXXMZEBJZAR-POHAHGRESA-N -1 1 353.831 2.241 20 10 FECDMM COc1cc(N(C)CCC[N-]C(=O)C(F)(F)F)cc(OC)c1OC ZINC000091581611 670728545 /nfs/dbraw/zinc/72/85/45/670728545.db2.gz RADZKLBSRAAMAI-UHFFFAOYSA-N -1 1 350.337 2.217 20 10 FECDMM CCOC(=O)N1CCC([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829019957 675859381 /nfs/dbraw/zinc/85/93/81/675859381.db2.gz SPZJKDSMCFRTOD-SNVBAGLBSA-N -1 1 354.378 2.224 20 10 FECDMM CC(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000829464097 675879862 /nfs/dbraw/zinc/87/98/62/675879862.db2.gz UZCROHBOMITMOC-OAHLLOKOSA-N -1 1 352.383 2.438 20 10 FECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccn(C)n1 ZINC000838771988 680718551 /nfs/dbraw/zinc/71/85/51/680718551.db2.gz BUKDFUHZDINODD-VIFPVBQESA-N -1 1 353.220 2.449 20 10 FECDMM Cc1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cn1 ZINC000761774984 680731540 /nfs/dbraw/zinc/73/15/40/680731540.db2.gz QAEBNPFZNVBEGZ-UHFFFAOYSA-N -1 1 360.395 2.108 20 10 FECDMM Cc1csc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)n1 ZINC000762073240 680739912 /nfs/dbraw/zinc/73/99/12/680739912.db2.gz JRFQIHIFRJEPOI-UHFFFAOYSA-N -1 1 352.397 2.246 20 10 FECDMM CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764806005 680821771 /nfs/dbraw/zinc/82/17/71/680821771.db2.gz MSSYESWIFLIGRY-QWHCGFSZSA-N -1 1 373.247 2.148 20 10 FECDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766048885 680864460 /nfs/dbraw/zinc/86/44/60/680864460.db2.gz XLRZYGQLQCDFFF-UHFFFAOYSA-N -1 1 363.391 2.111 20 10 FECDMM COC(=O)[C@](C)(Cn1cccn1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000934716507 681614774 /nfs/dbraw/zinc/61/47/74/681614774.db2.gz ZWYHGOQGUSHHSY-KRWDZBQOSA-N -1 1 365.817 2.166 20 10 FECDMM CC(C)Cc1nsc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000855706554 682705289 /nfs/dbraw/zinc/70/52/89/682705289.db2.gz LFYSDGFHYXKHCJ-UHFFFAOYSA-N -1 1 370.456 2.066 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1O ZINC000797819907 683276531 /nfs/dbraw/zinc/27/65/31/683276531.db2.gz VXSKRTJUSWNDLW-UHFFFAOYSA-N -1 1 362.407 2.111 20 10 FECDMM COCCN1C(=O)C(=CNc2c(C)cc(C)cc2Cl)C(=O)[N-]C1=S ZINC000920978509 683384905 /nfs/dbraw/zinc/38/49/05/683384905.db2.gz GJPMLEXOHZMAMM-FLIBITNWSA-N -1 1 367.858 2.142 20 10 FECDMM CCO[C@@H](C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000867831420 684403958 /nfs/dbraw/zinc/40/39/58/684403958.db2.gz YJXRBXPJPVGWLH-SMDDNHRTSA-N -1 1 358.232 2.213 20 10 FECDMM O=C([O-])C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000911368980 685204226 /nfs/dbraw/zinc/20/42/26/685204226.db2.gz JMDPUMWWIOVEFP-CQSZACIVSA-N -1 1 366.845 2.381 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877793012 686463460 /nfs/dbraw/zinc/46/34/60/686463460.db2.gz LSVHQCLAHSJKFO-WCQYABFASA-N -1 1 374.300 2.330 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1[O-] ZINC000879930846 686949829 /nfs/dbraw/zinc/94/98/29/686949829.db2.gz IDSNKASTNCPLAP-AAEUAGOBSA-N -1 1 357.859 2.115 20 10 FECDMM CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])N1CCOCC1 ZINC000891738384 689099407 /nfs/dbraw/zinc/09/94/07/689099407.db2.gz HLNQVSNCCZXKGT-OAHLLOKOSA-N -1 1 355.866 2.202 20 10 FECDMM CS(=O)(=O)CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000895387623 689707876 /nfs/dbraw/zinc/70/78/76/689707876.db2.gz GUGCQGYLTMENRK-UHFFFAOYSA-N -1 1 360.863 2.060 20 10 FECDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602701 689742517 /nfs/dbraw/zinc/74/25/17/689742517.db2.gz BRBRKTWQWRBCFD-UPJWGTAASA-N -1 1 355.866 2.343 20 10 FECDMM O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1cccc(Cl)c1[O-] ZINC000895864877 689784230 /nfs/dbraw/zinc/78/42/30/689784230.db2.gz QVCPPWGQJUSOJC-ZDUSSCGKSA-N -1 1 366.849 2.135 20 10 FECDMM O=S(=O)(c1ccnc(NCc2cc(F)cc(F)c2[O-])c1)N1CCCC1 ZINC000905414235 691116300 /nfs/dbraw/zinc/11/63/00/691116300.db2.gz ZKLKXYUYCYZILA-UHFFFAOYSA-N -1 1 369.393 2.462 20 10 FECDMM Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908328236 691660658 /nfs/dbraw/zinc/66/06/58/691660658.db2.gz JVVQGDWNKUICRG-UHFFFAOYSA-N -1 1 350.227 2.219 20 10 FECDMM CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([O-])cc3F)cc2)CC1 ZINC000190234552 548320067 /nfs/dbraw/zinc/32/00/67/548320067.db2.gz DONLMYYMAJBYFC-UHFFFAOYSA-N -1 1 371.412 2.130 20 10 FECDMM CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000269500715 550202203 /nfs/dbraw/zinc/20/22/03/550202203.db2.gz QQAAMBBOHJXUIU-SNVBAGLBSA-N -1 1 367.298 2.460 20 10 FECDMM O=S(=O)(CC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277445468 550671562 /nfs/dbraw/zinc/67/15/62/550671562.db2.gz FPAQYXQTNLFRRR-UHFFFAOYSA-N -1 1 364.261 2.001 20 10 FECDMM Cc1noc(CCCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277526812 550680912 /nfs/dbraw/zinc/68/09/12/550680912.db2.gz MFDBSKHLRFFDJU-UHFFFAOYSA-N -1 1 354.204 2.485 20 10 FECDMM CCC(CC)(OC)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000290429274 552477915 /nfs/dbraw/zinc/47/79/15/552477915.db2.gz KEEGVIJIEYXAHO-UHFFFAOYSA-N -1 1 355.416 2.475 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c[nH]1 ZINC000290511297 552490559 /nfs/dbraw/zinc/49/05/59/552490559.db2.gz LRNPYWQXNZMYEN-UHFFFAOYSA-N -1 1 368.411 2.233 20 10 FECDMM O=C(NCCCCn1cc(Br)cn1)c1c(F)ccc(O)c1[O-] ZINC000296463352 553163901 /nfs/dbraw/zinc/16/39/01/553163901.db2.gz XHXSXWIEXQUQOU-UHFFFAOYSA-N -1 1 372.194 2.406 20 10 FECDMM O=C(NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1c(F)ccc(O)c1[O-] ZINC000296468531 553165186 /nfs/dbraw/zinc/16/51/86/553165186.db2.gz XTVFHJNNLSOOLS-LBPRGKRZSA-N -1 1 372.352 2.095 20 10 FECDMM CCn1ccnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464365 556317360 /nfs/dbraw/zinc/31/73/60/556317360.db2.gz ACBUEZYZINVFSK-HNNXBMFYSA-N -1 1 362.861 2.699 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(=O)[nH]n3)CC2)c1[O-] ZINC000371862514 557314070 /nfs/dbraw/zinc/31/40/70/557314070.db2.gz DYVRTODUGSXYHZ-UHFFFAOYSA-N -1 1 362.817 2.066 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 ZINC000372842438 557573508 /nfs/dbraw/zinc/57/35/08/557573508.db2.gz ZEHXWERWEIIYOY-UHFFFAOYSA-N -1 1 372.406 2.406 20 10 FECDMM Cc1ccc2c(C)cc(=NN/C=C3/C(=O)[N-]C(=S)NC3=O)[nH]c2c1C ZINC000029006550 670093844 /nfs/dbraw/zinc/09/38/44/670093844.db2.gz NNXREMODQMXHNT-UHFFFAOYSA-N -1 1 355.423 2.332 20 10 FECDMM Cc1ccc2c(C)cc(=NN/C=C3\C(=O)[N-]C(=S)NC3=O)[nH]c2c1C ZINC000029006550 670093849 /nfs/dbraw/zinc/09/38/49/670093849.db2.gz NNXREMODQMXHNT-UHFFFAOYSA-N -1 1 355.423 2.332 20 10 FECDMM Cc1ccc2c(C)cc(=NNC=C3C(=O)[N-]C(=S)NC3=O)[nH]c2c1C ZINC000029006550 670093852 /nfs/dbraw/zinc/09/38/52/670093852.db2.gz NNXREMODQMXHNT-UHFFFAOYSA-N -1 1 355.423 2.332 20 10 FECDMM CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000161086773 672295346 /nfs/dbraw/zinc/29/53/46/672295346.db2.gz MXSXFZLUBPDPBN-LBPRGKRZSA-N -1 1 362.835 2.353 20 10 FECDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(Cl)c1 ZINC000322108030 673041680 /nfs/dbraw/zinc/04/16/80/673041680.db2.gz FPOSJSWPRCTLTQ-UHFFFAOYSA-N -1 1 352.755 2.416 20 10 FECDMM CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000825279123 675644964 /nfs/dbraw/zinc/64/49/64/675644964.db2.gz OOWFICDFJKIIFK-GFCCVEGCSA-N -1 1 356.810 2.189 20 10 FECDMM COc1c([O-])c(CN2CCO[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827786670 675778487 /nfs/dbraw/zinc/77/84/87/675778487.db2.gz KKOIABWGFINBNR-JTQLQIEISA-N -1 1 350.293 2.462 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-n2cnnn2)c1 ZINC000765737665 680853197 /nfs/dbraw/zinc/85/31/97/680853197.db2.gz VHOFAZCTYJUDBE-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM COc1ccc(NC(=O)NCc2ccccc2O)cc1[N-]S(C)(=O)=O ZINC000748458668 679965477 /nfs/dbraw/zinc/96/54/77/679965477.db2.gz AIFAWWVWAGTCPF-UHFFFAOYSA-N -1 1 365.411 2.094 20 10 FECDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000757658360 680530551 /nfs/dbraw/zinc/53/05/51/680530551.db2.gz ZEFWEHWTNZAMJY-UHFFFAOYSA-N -1 1 353.400 2.285 20 10 FECDMM COc1ccc(F)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770158832 681007590 /nfs/dbraw/zinc/00/75/90/681007590.db2.gz KPMFQOSHHOLTFO-UHFFFAOYSA-N -1 1 354.359 2.164 20 10 FECDMM COC(=O)C12CC(C(=O)NCc3cccc(Br)c3[O-])(C1)C2 ZINC000843867476 681022878 /nfs/dbraw/zinc/02/28/78/681022878.db2.gz MHXOAKOTKYTLHG-UHFFFAOYSA-N -1 1 354.200 2.114 20 10 FECDMM COc1c([O-])c(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774907868 681249062 /nfs/dbraw/zinc/24/90/62/681249062.db2.gz HZBAEBMVVLXCAG-GZMMTYOYSA-N -1 1 350.293 2.461 20 10 FECDMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000776013897 681356633 /nfs/dbraw/zinc/35/66/33/681356633.db2.gz OQSRNVQJUUWKQI-QWHCGFSZSA-N -1 1 372.805 2.496 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1 ZINC000781920527 681989310 /nfs/dbraw/zinc/98/93/10/681989310.db2.gz NGVAPDZXFSNLDX-SNVBAGLBSA-N -1 1 367.247 2.165 20 10 FECDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000790415716 682675130 /nfs/dbraw/zinc/67/51/30/682675130.db2.gz IXPBEMDLHOMCGR-UHFFFAOYSA-N -1 1 351.380 2.462 20 10 FECDMM COCCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000867831243 684403844 /nfs/dbraw/zinc/40/38/44/684403844.db2.gz SSSZZPGGYLKWNS-UHFFFAOYSA-N -1 1 368.231 2.236 20 10 FECDMM CC(C)(C)OC(=O)NCCOCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760375 688963232 /nfs/dbraw/zinc/96/32/32/688963232.db2.gz PYWWKHXGPXKPAS-UHFFFAOYSA-N -1 1 358.822 2.203 20 10 FECDMM CS(=O)(=O)CC1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000895079129 689655114 /nfs/dbraw/zinc/65/51/14/689655114.db2.gz FHWSMCWYOQUXRZ-UHFFFAOYSA-N -1 1 374.890 2.448 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897920065 690101588 /nfs/dbraw/zinc/10/15/88/690101588.db2.gz UGSPKONGFQYWMK-SPWWOFFBSA-N -1 1 353.216 2.130 20 10 FECDMM O=C(NCC1(n2cc(Br)cn2)CC1)c1c(F)ccc(O)c1[O-] ZINC000900692523 690548770 /nfs/dbraw/zinc/54/87/70/690548770.db2.gz RUQLDNRIZAEMNJ-UHFFFAOYSA-N -1 1 370.178 2.115 20 10 FECDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)Cc1ccccc1O ZINC000101645737 543038890 /nfs/dbraw/zinc/03/88/90/543038890.db2.gz QUDXKZNWDQUFEP-UHFFFAOYSA-N -1 1 354.410 2.349 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CCC(F)(F)F)no2)c1 ZINC000273886379 550514871 /nfs/dbraw/zinc/51/48/71/550514871.db2.gz VKNIHHWTSHLCAK-UHFFFAOYSA-N -1 1 351.306 2.309 20 10 FECDMM CC(C)(C)C(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277272353 550650353 /nfs/dbraw/zinc/65/03/53/550650353.db2.gz AEOBWKJVWBJHPW-UHFFFAOYSA-N -1 1 372.263 2.116 20 10 FECDMM COC(=O)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277356681 550660517 /nfs/dbraw/zinc/66/05/17/550660517.db2.gz GQQYMERIWHPZTR-UHFFFAOYSA-N -1 1 359.220 2.153 20 10 FECDMM COCCn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277966214 550733675 /nfs/dbraw/zinc/73/36/75/550733675.db2.gz HIXPHNAJDNBPAV-UHFFFAOYSA-N -1 1 369.219 2.319 20 10 FECDMM Cn1ncc2c1C[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000282286585 551206680 /nfs/dbraw/zinc/20/66/80/551206680.db2.gz KKTPJGKNGYAEMX-JTQLQIEISA-N -1 1 364.243 2.310 20 10 FECDMM Nc1nc(C2CC2)ncc1C(=O)NCc1cccc(Br)c1[O-] ZINC000287813769 552049985 /nfs/dbraw/zinc/04/99/85/552049985.db2.gz AXMLWBZDTBGAHA-UHFFFAOYSA-N -1 1 363.215 2.334 20 10 FECDMM COc1cc(OC)c(CCNC(=O)c2c(F)ccc(O)c2[O-])c(OC)c1 ZINC000295304277 552984804 /nfs/dbraw/zinc/98/48/04/552984804.db2.gz RHSLHCCXXNYUAJ-UHFFFAOYSA-N -1 1 365.357 2.235 20 10 FECDMM Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858300 601320805 /nfs/dbraw/zinc/32/08/05/601320805.db2.gz BAFJVJOEBODYOH-UHFFFAOYSA-N -1 1 367.409 2.225 20 10 FECDMM C[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C(=O)[O-] ZINC000828455743 601816218 /nfs/dbraw/zinc/81/62/18/601816218.db2.gz FWIJIJQUDNNNGM-IUODEOHRSA-N -1 1 355.390 2.481 20 10 FECDMM COc1c([O-])c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000809696707 674505842 /nfs/dbraw/zinc/50/58/42/674505842.db2.gz OZPCSCZPOKCHSM-KWQFWETISA-N -1 1 350.293 2.461 20 10 FECDMM COc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1OC ZINC000326417138 605523410 /nfs/dbraw/zinc/52/34/10/605523410.db2.gz RNYNPACNGITSLQ-UHFFFAOYSA-N -1 1 371.342 2.048 20 10 FECDMM O=C(COC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccc([O-])c(O)c1 ZINC000811370262 674598119 /nfs/dbraw/zinc/59/81/19/674598119.db2.gz IFKQRZGJWGGZMS-OAHLLOKOSA-N -1 1 354.717 2.350 20 10 FECDMM CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000053916191 670329796 /nfs/dbraw/zinc/32/97/96/670329796.db2.gz NVWQORIHLBENLZ-UHFFFAOYSA-N -1 1 366.439 2.334 20 10 FECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000172512869 672342472 /nfs/dbraw/zinc/34/24/72/672342472.db2.gz NQIIWGMRECQIQJ-CQSZACIVSA-N -1 1 364.511 2.364 20 10 FECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCSC[C@H]2C)c1 ZINC000172512869 672342473 /nfs/dbraw/zinc/34/24/73/672342473.db2.gz NQIIWGMRECQIQJ-CQSZACIVSA-N -1 1 364.511 2.364 20 10 FECDMM CSc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1 ZINC000734880988 673475199 /nfs/dbraw/zinc/47/51/99/673475199.db2.gz XKZLAZOATHQQOJ-UHFFFAOYSA-N -1 1 353.425 2.133 20 10 FECDMM CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000827563166 675765207 /nfs/dbraw/zinc/76/52/07/675765207.db2.gz YRRZJVJBRLJNIE-NSHDSACASA-N -1 1 354.378 2.270 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@H](C)S(=O)(=O)CC2)c1 ZINC000763626295 680787981 /nfs/dbraw/zinc/78/79/81/680787981.db2.gz LFMAHTLWWVTDDI-NSHDSACASA-N -1 1 362.289 2.472 20 10 FECDMM Cc1nc(N)nc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765770968 680854725 /nfs/dbraw/zinc/85/47/25/680854725.db2.gz UGLCYZJWCGDLBK-UHFFFAOYSA-N -1 1 351.204 2.074 20 10 FECDMM CCOC1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000834476402 680232585 /nfs/dbraw/zinc/23/25/85/680232585.db2.gz XTIBOXDDYYSZKQ-UHFFFAOYSA-N -1 1 358.232 2.357 20 10 FECDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1OC ZINC000758774362 680606801 /nfs/dbraw/zinc/60/68/01/680606801.db2.gz QBULNPIIPHIMGV-UHFFFAOYSA-N -1 1 351.380 2.413 20 10 FECDMM C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207974 680870447 /nfs/dbraw/zinc/87/04/47/680870447.db2.gz TZGURZZQTAOAON-SECBINFHSA-N -1 1 363.277 2.219 20 10 FECDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1O ZINC000770000086 681002506 /nfs/dbraw/zinc/00/25/06/681002506.db2.gz NRBOUJMKIWZXHK-UHFFFAOYSA-N -1 1 350.396 2.338 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2ncncc2C1 ZINC000843868115 681023035 /nfs/dbraw/zinc/02/30/35/681023035.db2.gz YFPPMDHYLARKSI-JTQLQIEISA-N -1 1 362.227 2.366 20 10 FECDMM COc1c([O-])c(CN(C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000774885663 681246127 /nfs/dbraw/zinc/24/61/27/681246127.db2.gz DECZJKZVPHOBQR-UHFFFAOYSA-N -1 1 365.411 2.119 20 10 FECDMM Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cccc1N(C)C ZINC000775986370 681355054 /nfs/dbraw/zinc/35/50/54/681355054.db2.gz FVXGPZKGYZOKQW-UHFFFAOYSA-N -1 1 363.439 2.390 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 ZINC000781914076 681988784 /nfs/dbraw/zinc/98/87/84/681988784.db2.gz YAHCRAGRDCGTEG-QWRGUYRKSA-N -1 1 362.289 2.471 20 10 FECDMM O=C(COC(=O)c1ccc(Br)nc1)c1ccc([O-])c(O)c1 ZINC000783960057 682189313 /nfs/dbraw/zinc/18/93/13/682189313.db2.gz RFVBBAQVASYRQO-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784248922 682210095 /nfs/dbraw/zinc/21/00/95/682210095.db2.gz GJRBXRQOMJEGPI-NSHDSACASA-N -1 1 353.371 2.127 20 10 FECDMM O=C(COC(=O)c1scnc1Br)c1ccc([O-])c(O)c1 ZINC000784684473 682245642 /nfs/dbraw/zinc/24/56/42/682245642.db2.gz KHMYCUXYQLJBPZ-UHFFFAOYSA-N -1 1 358.169 2.357 20 10 FECDMM NS(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792174903 682794054 /nfs/dbraw/zinc/79/40/54/682794054.db2.gz MUEJVJFEJDWART-UHFFFAOYSA-N -1 1 356.806 2.395 20 10 FECDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c([N+](=O)[O-])c1 ZINC000920975415 683383945 /nfs/dbraw/zinc/38/39/45/683383945.db2.gz GCTANNMSGYHWBS-YRNVUSSQSA-N -1 1 362.411 2.098 20 10 FECDMM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893011859 689281462 /nfs/dbraw/zinc/28/14/62/689281462.db2.gz YJIFCPDWEMMUMC-WCQYABFASA-N -1 1 353.850 2.492 20 10 FECDMM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893151671 689304897 /nfs/dbraw/zinc/30/48/97/689304897.db2.gz RJYDATAZMGCALA-NEPJUHHUSA-N -1 1 360.863 2.201 20 10 FECDMM Cn1nccc1[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895215965 689678297 /nfs/dbraw/zinc/67/82/97/689678297.db2.gz UJXOWQZOZCWAGN-DOMZBBRYSA-N -1 1 364.833 2.499 20 10 FECDMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327960 691660054 /nfs/dbraw/zinc/66/00/54/691660054.db2.gz LKGDMWZFKRPSGO-DGCLKSJQSA-N -1 1 361.847 2.197 20 10 FECDMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C)c(C)n1-c1ccccn1 ZINC000067051583 541410750 /nfs/dbraw/zinc/41/07/50/541410750.db2.gz LLIXRMKBNZOOLH-UHFFFAOYSA-N -1 1 356.455 2.253 20 10 FECDMM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(O)c1O ZINC000292154926 552698917 /nfs/dbraw/zinc/69/89/17/552698917.db2.gz CMNYUDPZBHIJPF-PEXQALLHSA-N -1 1 374.359 2.324 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(CCc2cccs2)CC1 ZINC000294980735 552948965 /nfs/dbraw/zinc/94/89/65/552948965.db2.gz YDWBJBGZVGTSGI-UHFFFAOYSA-N -1 1 350.415 2.299 20 10 FECDMM COc1ccc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1F ZINC000295222560 552971645 /nfs/dbraw/zinc/97/16/45/552971645.db2.gz YIKLSLBZTGMHNW-UHFFFAOYSA-N -1 1 364.348 2.347 20 10 FECDMM Cc1cc(N(C)C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822205774 606710906 /nfs/dbraw/zinc/71/09/06/606710906.db2.gz IEFODOLVCLBWMY-UHFFFAOYSA-N -1 1 354.374 2.156 20 10 FECDMM Cc1cc(N(C)C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822205774 606710907 /nfs/dbraw/zinc/71/09/07/606710907.db2.gz IEFODOLVCLBWMY-UHFFFAOYSA-N -1 1 354.374 2.156 20 10 FECDMM COC(=O)Cc1occc1C(=O)NCc1cccc(Br)c1[O-] ZINC000811459819 674605844 /nfs/dbraw/zinc/60/58/44/674605844.db2.gz PCUVFQMKJBRJTP-UHFFFAOYSA-N -1 1 368.183 2.393 20 10 FECDMM NS(=O)(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048794800 670273471 /nfs/dbraw/zinc/27/34/71/670273471.db2.gz YIYZRUIAZSMPOY-UHFFFAOYSA-N -1 1 357.229 2.414 20 10 FECDMM O=C1[N-]C(=S)NC(=O)C1=CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000060865677 670390601 /nfs/dbraw/zinc/39/06/01/670390601.db2.gz TYXREEPQOJMSCV-HNNXBMFYSA-N -1 1 371.849 2.434 20 10 FECDMM Cc1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c(C)c(C)c1O ZINC000187061837 672561458 /nfs/dbraw/zinc/56/14/58/672561458.db2.gz NQKXDPUGPJZCQF-UHFFFAOYSA-N -1 1 365.455 2.159 20 10 FECDMM CCC(CC)C(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825504130 675656259 /nfs/dbraw/zinc/65/62/59/675656259.db2.gz PSRPXLGYXRIWFN-UHFFFAOYSA-N -1 1 352.406 2.394 20 10 FECDMM O=C(NCCOC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000764781418 680820890 /nfs/dbraw/zinc/82/08/90/680820890.db2.gz WKJRXILHWWBBMJ-LLVKDONJSA-N -1 1 373.247 2.007 20 10 FECDMM Cc1ccn(C)c(=O)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765304573 680839062 /nfs/dbraw/zinc/83/90/62/680839062.db2.gz WZRYMXCJXIFNOS-UHFFFAOYSA-N -1 1 366.215 2.484 20 10 FECDMM O=C(CCn1ccccc1=O)NCc1cccc(Br)c1[O-] ZINC000765745909 680853716 /nfs/dbraw/zinc/85/37/16/680853716.db2.gz AQQVMVLYOIGBPP-UHFFFAOYSA-N -1 1 351.200 2.023 20 10 FECDMM C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765766753 680854516 /nfs/dbraw/zinc/85/45/16/680854516.db2.gz BEABLFQBROIROQ-PWSUYJOCSA-N -1 1 358.232 2.355 20 10 FECDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000751319640 680168019 /nfs/dbraw/zinc/16/80/19/680168019.db2.gz ZIEWEIMHNSYIGP-VIFPVBQESA-N -1 1 370.358 2.488 20 10 FECDMM O=C1CNCCN1[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843064013 680985254 /nfs/dbraw/zinc/98/52/54/680985254.db2.gz DTOBHHJHYSEKAT-CYBMUJFWSA-N -1 1 358.269 2.095 20 10 FECDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])c2ncnn21 ZINC000852476521 682287655 /nfs/dbraw/zinc/28/76/55/682287655.db2.gz IZAFWUALYIGQDY-KWQFWETISA-N -1 1 366.219 2.251 20 10 FECDMM CCn1nccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852717042 682325026 /nfs/dbraw/zinc/32/50/26/682325026.db2.gz YLDWADSDHPOVIM-UHFFFAOYSA-N -1 1 353.220 2.371 20 10 FECDMM CCc1nc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cs1 ZINC000789963630 682641020 /nfs/dbraw/zinc/64/10/20/682641020.db2.gz NGLVPRAROCJPDJ-UHFFFAOYSA-N -1 1 365.430 2.214 20 10 FECDMM COc1cc(OC)c(OC)cc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789974931 682642234 /nfs/dbraw/zinc/64/22/34/682642234.db2.gz XZUSIBKNBVWDLE-UHFFFAOYSA-N -1 1 351.330 2.193 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)ccc1O ZINC000797820068 683276438 /nfs/dbraw/zinc/27/64/38/683276438.db2.gz DUIHJAXACWVKSJ-UHFFFAOYSA-N -1 1 354.359 2.299 20 10 FECDMM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1F ZINC000872443691 684949804 /nfs/dbraw/zinc/94/98/04/684949804.db2.gz YIXNJGBGCAKTDY-QFIPXVFZSA-N -1 1 365.496 2.122 20 10 FECDMM O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000895658830 689751073 /nfs/dbraw/zinc/75/10/73/689751073.db2.gz KKOVWSSLIYVKAP-JOCHJYFZSA-N -1 1 358.769 2.156 20 10 FECDMM CCc1nn(C)c(CC)c1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908326877 691660133 /nfs/dbraw/zinc/66/01/33/691660133.db2.gz FBYHKPAICPHDSC-UHFFFAOYSA-N -1 1 357.863 2.382 20 10 FECDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183453139 547662692 /nfs/dbraw/zinc/66/26/92/547662692.db2.gz CQYMGCFJQOUJHI-JTQLQIEISA-N -1 1 359.426 2.148 20 10 FECDMM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277584131 550687695 /nfs/dbraw/zinc/68/76/95/550687695.db2.gz SSUUIWRYROZRIM-NXEZZACHSA-N -1 1 372.263 2.257 20 10 FECDMM COc1c([O-])c(CN(C)Cc2nc([C@@H](C)OC)no2)ccc1[N+](=O)[O-] ZINC000278204949 550760686 /nfs/dbraw/zinc/76/06/86/550760686.db2.gz JLNRRVQBPUTGRA-SECBINFHSA-N -1 1 352.347 2.031 20 10 FECDMM COc1c([O-])c(CN2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278319745 550772548 /nfs/dbraw/zinc/77/25/48/550772548.db2.gz FZANJXWMFYPZPW-CQSZACIVSA-N -1 1 364.427 2.333 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2nc(C(N)=O)no2)c1[O-] ZINC000364431674 555312732 /nfs/dbraw/zinc/31/27/32/555312732.db2.gz AQDKVXLLAPEQTE-LBPRGKRZSA-N -1 1 364.789 2.067 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000364759462 555395634 /nfs/dbraw/zinc/39/56/34/555395634.db2.gz MMUDYSMHIARTRP-ZDUSSCGKSA-N -1 1 363.395 2.044 20 10 FECDMM CC(=O)c1cc(F)cc(CN2CCC(OCCCNC(=O)[O-])CC2)c1O ZINC000823628668 604226604 /nfs/dbraw/zinc/22/66/04/604226604.db2.gz UNDZDZQXRQAKHU-UHFFFAOYSA-N -1 1 368.405 2.373 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000091733272 670730789 /nfs/dbraw/zinc/73/07/89/670730789.db2.gz NHYOREOQKFFZIU-UHFFFAOYSA-N -1 1 360.313 2.433 20 10 FECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccn(C)n1 ZINC000838771987 680718630 /nfs/dbraw/zinc/71/86/30/680718630.db2.gz BUKDFUHZDINODD-SECBINFHSA-N -1 1 353.220 2.449 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCn2ccnc2C1 ZINC000765728287 680852772 /nfs/dbraw/zinc/85/27/72/680852772.db2.gz GEIRFILNLWUJOS-JTQLQIEISA-N -1 1 350.216 2.230 20 10 FECDMM Cn1nnc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765734949 680852982 /nfs/dbraw/zinc/85/29/82/680852982.db2.gz ADSIEKUNLNCHKK-UHFFFAOYSA-N -1 1 361.199 2.366 20 10 FECDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765733264 680853051 /nfs/dbraw/zinc/85/30/51/680853051.db2.gz WKAWTHJNOGLFIZ-UHFFFAOYSA-N -1 1 365.183 2.266 20 10 FECDMM NC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765748613 680853841 /nfs/dbraw/zinc/85/38/41/680853841.db2.gz XTPGPEFQLYBLFA-ZJUUUORDSA-N -1 1 355.232 2.063 20 10 FECDMM CC(C)(C)n1cc(C(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000765752573 680854085 /nfs/dbraw/zinc/85/40/85/680854085.db2.gz XRRBMYVAARSODU-UHFFFAOYSA-N -1 1 353.220 2.431 20 10 FECDMM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000834476401 680232708 /nfs/dbraw/zinc/23/27/08/680232708.db2.gz XSQQLVALDCOMOT-GHMZBOCLSA-N -1 1 350.216 2.308 20 10 FECDMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169720 680558971 /nfs/dbraw/zinc/55/89/71/680558971.db2.gz YPYNYPGLSXRPMG-UHFFFAOYSA-N -1 1 354.359 2.299 20 10 FECDMM CC(C)c1nc(S(=O)(=O)NCc2cccc(Br)c2[O-])c[nH]1 ZINC000766206542 680870302 /nfs/dbraw/zinc/87/03/02/680870302.db2.gz HGEWTDZQFKQNJQ-UHFFFAOYSA-N -1 1 374.260 2.480 20 10 FECDMM COc1c([O-])c(CN2CCc3cc(Cl)nnc3C2)ccc1[N+](=O)[O-] ZINC000843415078 681002805 /nfs/dbraw/zinc/00/28/05/681002805.db2.gz BKYADKOQARDVLA-UHFFFAOYSA-N -1 1 350.762 2.311 20 10 FECDMM CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000771209286 681046975 /nfs/dbraw/zinc/04/69/75/681046975.db2.gz BYJKLFZODJKVLW-UHFFFAOYSA-N -1 1 365.342 2.325 20 10 FECDMM O=C(COC(=O)c1cncc(Br)c1)c1ccc([O-])c(O)c1 ZINC000916590012 685525749 /nfs/dbraw/zinc/52/57/49/685525749.db2.gz XUAZCPMBRTYDLX-UHFFFAOYSA-N -1 1 352.140 2.295 20 10 FECDMM COC(=O)CC1(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCC1 ZINC000784889482 682258847 /nfs/dbraw/zinc/25/88/47/682258847.db2.gz LYIIEEMHQCUZNG-UHFFFAOYSA-N -1 1 350.367 2.337 20 10 FECDMM O=C(COC(=O)c1nc(Br)cs1)c1ccc([O-])c(O)c1 ZINC000784922930 682261418 /nfs/dbraw/zinc/26/14/18/682261418.db2.gz PAQYOGRGRDQEAM-UHFFFAOYSA-N -1 1 358.169 2.357 20 10 FECDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000852437942 682279076 /nfs/dbraw/zinc/27/90/76/682279076.db2.gz KLVRKFABBLZCGN-AAEUAGOBSA-N -1 1 373.247 2.005 20 10 FECDMM CCCCN(C)C(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000789958764 682640604 /nfs/dbraw/zinc/64/06/04/682640604.db2.gz KJBSYDGOVDKZQC-UHFFFAOYSA-N -1 1 352.406 2.348 20 10 FECDMM COc1cc(NCCNC(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1 ZINC000789993468 682644014 /nfs/dbraw/zinc/64/40/14/682644014.db2.gz DFEHVYIUQRAYJF-UHFFFAOYSA-N -1 1 350.346 2.096 20 10 FECDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000790416715 682675294 /nfs/dbraw/zinc/67/52/94/682675294.db2.gz BWHHQFGVHWHDOE-UHFFFAOYSA-N -1 1 365.407 2.391 20 10 FECDMM C[C@@H]1[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000863945925 683791393 /nfs/dbraw/zinc/79/13/93/683791393.db2.gz WWEURJXEBCEJCY-KOLCDFICSA-N -1 1 354.378 2.365 20 10 FECDMM CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864507206 683862219 /nfs/dbraw/zinc/86/22/19/683862219.db2.gz IKNUKFYCMBOSPO-LLVKDONJSA-N -1 1 374.231 2.429 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1[O-] ZINC000879930847 686949920 /nfs/dbraw/zinc/94/99/20/686949920.db2.gz IDSNKASTNCPLAP-DGCLKSJQSA-N -1 1 357.859 2.115 20 10 FECDMM Cn1nccc1[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895215968 689678010 /nfs/dbraw/zinc/67/80/10/689678010.db2.gz UJXOWQZOZCWAGN-SWLSCSKDSA-N -1 1 364.833 2.499 20 10 FECDMM Cn1ccnc1[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895275330 689688640 /nfs/dbraw/zinc/68/86/40/689688640.db2.gz XXBNZXIAIXZQBC-GXTWGEPZSA-N -1 1 364.833 2.499 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C2CC2)[nH]c1=O ZINC000907758362 691554796 /nfs/dbraw/zinc/55/47/96/691554796.db2.gz PSRXUCKFBBOSBI-UHFFFAOYSA-N -1 1 364.199 2.458 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000276553376 550578945 /nfs/dbraw/zinc/57/89/45/550578945.db2.gz KQUGGYSIXPBMEM-UHFFFAOYSA-N -1 1 371.368 2.357 20 10 FECDMM CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1CCCC1=O ZINC000277488492 550676473 /nfs/dbraw/zinc/67/64/73/550676473.db2.gz JHKVLXOFNFJPDM-LBPRGKRZSA-N -1 1 355.232 2.172 20 10 FECDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000279680702 550916253 /nfs/dbraw/zinc/91/62/53/550916253.db2.gz GOSHHCSEICEIIN-QWHCGFSZSA-N -1 1 373.247 2.148 20 10 FECDMM COc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])c(OC)c1OC ZINC000295055946 552954901 /nfs/dbraw/zinc/95/49/01/552954901.db2.gz KIEMDQTXGHBESW-UHFFFAOYSA-N -1 1 365.357 2.235 20 10 FECDMM O=C(NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1c(F)ccc(O)c1[O-] ZINC000296468524 553165179 /nfs/dbraw/zinc/16/51/79/553165179.db2.gz XTVFHJNNLSOOLS-GFCCVEGCSA-N -1 1 372.352 2.095 20 10 FECDMM O=C1NCCN(Cc2cccc(F)c2[O-])[C@@H]1Cc1nc2ccccc2o1 ZINC000368052458 556204418 /nfs/dbraw/zinc/20/44/18/556204418.db2.gz WCQCXZFHLORGBB-OAHLLOKOSA-N -1 1 355.369 2.216 20 10 FECDMM CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000736943595 600213792 /nfs/dbraw/zinc/21/37/92/600213792.db2.gz PGZFJBVZBIELJI-KEDPEKRHSA-N -1 1 363.414 2.240 20 10 FECDMM C[C@@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000824622151 605520615 /nfs/dbraw/zinc/52/06/15/605520615.db2.gz KOCKZDHMCLSPJZ-FZMZJTMJSA-N -1 1 369.849 2.172 20 10 FECDMM CN1CCCc2cc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc21 ZINC000821624937 606704928 /nfs/dbraw/zinc/70/49/28/606704928.db2.gz AWMFEHUWHDAYDC-UHFFFAOYSA-N -1 1 366.385 2.164 20 10 FECDMM CN1CCCc2cc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC000821624937 606704930 /nfs/dbraw/zinc/70/49/30/606704930.db2.gz AWMFEHUWHDAYDC-UHFFFAOYSA-N -1 1 366.385 2.164 20 10 FECDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1Cl ZINC000814217034 674826817 /nfs/dbraw/zinc/82/68/17/674826817.db2.gz NOFYOGCHYORESI-UHFFFAOYSA-N -1 1 367.770 2.464 20 10 FECDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000055579946 670352289 /nfs/dbraw/zinc/35/22/89/670352289.db2.gz MTKXVRPXNIMKKN-UHFFFAOYSA-N -1 1 358.416 2.306 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2ccccc2Cl)C(=O)[N-]C1=S ZINC000060862018 670390129 /nfs/dbraw/zinc/39/01/29/670390129.db2.gz MWRZSJXZAWUVGI-WQLSENKSSA-N -1 1 351.859 2.213 20 10 FECDMM O=S(=O)(CCOCC1CC1)NCc1cccc(Br)c1[O-] ZINC000819878135 675318064 /nfs/dbraw/zinc/31/80/64/675318064.db2.gz CJSZXTCVKKNWAP-UHFFFAOYSA-N -1 1 364.261 2.001 20 10 FECDMM CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000829005492 675858750 /nfs/dbraw/zinc/85/87/50/675858750.db2.gz ARJHVXBKWKHYCO-UHFFFAOYSA-N -1 1 364.320 2.127 20 10 FECDMM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839789340 680779298 /nfs/dbraw/zinc/77/92/98/680779298.db2.gz UHRWHFQZVZJYRW-SECBINFHSA-N -1 1 350.312 2.193 20 10 FECDMM CCN(CC1CC1)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201296 680869983 /nfs/dbraw/zinc/86/99/83/680869983.db2.gz QPVYKDCQMUWMSJ-UHFFFAOYSA-N -1 1 363.277 2.221 20 10 FECDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cccc2nonc21 ZINC000765037777 680828213 /nfs/dbraw/zinc/82/82/13/680828213.db2.gz JEHFIHALOOLBGU-UHFFFAOYSA-N -1 1 367.770 2.448 20 10 FECDMM Cc1n[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000765728774 680852888 /nfs/dbraw/zinc/85/28/88/680852888.db2.gz NITMTIVNCGVPKT-UHFFFAOYSA-N -1 1 355.148 2.024 20 10 FECDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000840918427 680853109 /nfs/dbraw/zinc/85/31/09/680853109.db2.gz SQSOWJVKISSLOO-UHFFFAOYSA-N -1 1 353.396 2.357 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2ccnc2)nn1 ZINC000765735598 680853353 /nfs/dbraw/zinc/85/33/53/680853353.db2.gz HRHAHMJNLUWBDC-UHFFFAOYSA-N -1 1 374.198 2.060 20 10 FECDMM O=C(NCc1cccc(Br)c1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000765765861 680854454 /nfs/dbraw/zinc/85/44/54/680854454.db2.gz SWEULECCOAOIHT-UHFFFAOYSA-N -1 1 368.143 2.094 20 10 FECDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000766047437 680864215 /nfs/dbraw/zinc/86/42/15/680864215.db2.gz IQPBRZBLSCQJJO-UHFFFAOYSA-N -1 1 355.393 2.464 20 10 FECDMM Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cnn1CC(C)C ZINC000767157747 680901012 /nfs/dbraw/zinc/90/10/12/680901012.db2.gz WSAWPYCXGGJYBF-UHFFFAOYSA-N -1 1 366.443 2.177 20 10 FECDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C[C@@H]3CCCO3)CC2)c1[O-] ZINC000768191504 680940044 /nfs/dbraw/zinc/94/00/44/680940044.db2.gz HWWIALVFACDLLI-AWEZNQCLSA-N -1 1 355.822 2.250 20 10 FECDMM COc1c([O-])c(CN2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000774853627 681242064 /nfs/dbraw/zinc/24/20/64/681242064.db2.gz PGAZMTQQZJMMQR-UHFFFAOYSA-N -1 1 364.427 2.083 20 10 FECDMM CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[S@]1=O ZINC000775070075 681272259 /nfs/dbraw/zinc/27/22/59/681272259.db2.gz HNZXYQNSGZFCKJ-XMMPIXPASA-N -1 1 356.444 2.432 20 10 FECDMM CCn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C(F)(F)F)n1 ZINC000797933049 683289833 /nfs/dbraw/zinc/28/98/33/683289833.db2.gz AQWSVMOUYYDKQW-UHFFFAOYSA-N -1 1 358.272 2.373 20 10 FECDMM Cc1cc(C(C)(C)C)cc(C)c1CCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000920980709 683384824 /nfs/dbraw/zinc/38/48/24/683384824.db2.gz XIZDJEQJXOOEIP-UHFFFAOYSA-N -1 1 359.495 2.148 20 10 FECDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(C)ns3)C2)cc1 ZINC000867496574 684295394 /nfs/dbraw/zinc/29/53/94/684295394.db2.gz FQOMTXGUHZLPQY-LBPRGKRZSA-N -1 1 353.469 2.017 20 10 FECDMM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886951301 688344904 /nfs/dbraw/zinc/34/49/04/688344904.db2.gz ZSOBKEWUHFNRNF-DZGCQCFKSA-N -1 1 355.818 2.449 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000890758131 688962701 /nfs/dbraw/zinc/96/27/01/688962701.db2.gz RPQKVLKERLEJMH-PSASIEDQSA-N -1 1 350.724 2.119 20 10 FECDMM C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895323670 689695608 /nfs/dbraw/zinc/69/56/08/689695608.db2.gz FVMOOVCBGQKJPL-ZWNOBZJWSA-N -1 1 350.640 2.126 20 10 FECDMM O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1c(F)ccc(O)c1[O-] ZINC000899454131 690356072 /nfs/dbraw/zinc/35/60/72/690356072.db2.gz GSIGPGZNXBAZLT-GFCCVEGCSA-N -1 1 353.390 2.333 20 10 FECDMM CCn1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C1CC1 ZINC000271333764 550365871 /nfs/dbraw/zinc/36/58/71/550365871.db2.gz DZCLOZSMOWYTAN-UHFFFAOYSA-N -1 1 364.427 2.110 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCCN(Cc2cscn2)CC1 ZINC000276509487 550578696 /nfs/dbraw/zinc/57/86/96/550578696.db2.gz AXABKWMUICCOPJ-UHFFFAOYSA-N -1 1 351.403 2.042 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278265445 550766742 /nfs/dbraw/zinc/76/67/42/550766742.db2.gz QZEZRQYBQSTBBI-MRXNPFEDSA-N -1 1 371.393 2.372 20 10 FECDMM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000371535235 557213582 /nfs/dbraw/zinc/21/35/82/557213582.db2.gz BVQOSFIRLYIYSM-ZFWWWQNUSA-N -1 1 355.818 2.401 20 10 FECDMM COc1c([O-])c(CN2CCN(c3cccs3)C(=O)C2)ccc1[N+](=O)[O-] ZINC000373210478 557650711 /nfs/dbraw/zinc/65/07/11/557650711.db2.gz ZONLNGWWEBQDLX-UHFFFAOYSA-N -1 1 363.395 2.219 20 10 FECDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738341097 598740595 /nfs/dbraw/zinc/74/05/95/598740595.db2.gz FLAQAYWDNNRKGJ-UHFFFAOYSA-N -1 1 370.438 2.268 20 10 FECDMM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827281554 604745466 /nfs/dbraw/zinc/74/54/66/604745466.db2.gz PBOFIEPOEWNQFA-SMDDNHRTSA-N -1 1 354.834 2.237 20 10 FECDMM NC(=O)CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525073 675062304 /nfs/dbraw/zinc/06/23/04/675062304.db2.gz CVECMIWJXZKLLZ-UHFFFAOYSA-N -1 1 351.765 2.012 20 10 FECDMM COC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])c[nH]1 ZINC000816496327 675059955 /nfs/dbraw/zinc/05/99/55/675059955.db2.gz FWJOZZLALQISAM-UHFFFAOYSA-N -1 1 353.172 2.199 20 10 FECDMM NC(=O)CCNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816620096 675068918 /nfs/dbraw/zinc/06/89/18/675068918.db2.gz ISAHPCNUJVGBJK-UHFFFAOYSA-N -1 1 365.792 2.402 20 10 FECDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047671204 670247530 /nfs/dbraw/zinc/24/75/30/670247530.db2.gz DSEDALOOJJCXRI-UHFFFAOYSA-N -1 1 353.375 2.278 20 10 FECDMM CN(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000825279126 675644950 /nfs/dbraw/zinc/64/49/50/675644950.db2.gz OOWFICDFJKIIFK-LBPRGKRZSA-N -1 1 356.810 2.189 20 10 FECDMM CC(C)(C)N1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765737241 680853174 /nfs/dbraw/zinc/85/31/74/680853174.db2.gz SIAZVGSJWWSUFP-LLVKDONJSA-N -1 1 369.259 2.418 20 10 FECDMM C[C@@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2[O-])C1 ZINC000766200475 680870131 /nfs/dbraw/zinc/87/01/31/680870131.db2.gz LQUKHGUVZGRLLY-SNVBAGLBSA-N -1 1 363.277 2.221 20 10 FECDMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084879 681124944 /nfs/dbraw/zinc/12/49/44/681124944.db2.gz UEUMBQOKCOVIAT-LLVKDONJSA-N -1 1 352.412 2.172 20 10 FECDMM CCN(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)S(C)(=O)=O ZINC000775690137 681323912 /nfs/dbraw/zinc/32/39/12/681323912.db2.gz CYMJSUWNBZNMMG-UHFFFAOYSA-N -1 1 364.870 2.431 20 10 FECDMM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(O)cc3F)cc2C1 ZINC000849307811 681682492 /nfs/dbraw/zinc/68/24/92/681682492.db2.gz HBWMUWTWTZQACB-UHFFFAOYSA-N -1 1 370.427 2.298 20 10 FECDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000849416323 681723102 /nfs/dbraw/zinc/72/31/02/681723102.db2.gz OXZRNYZYOJUOMO-CYBMUJFWSA-N -1 1 367.496 2.326 20 10 FECDMM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784770754 682252915 /nfs/dbraw/zinc/25/29/15/682252915.db2.gz GJRBXRQOMJEGPI-LLVKDONJSA-N -1 1 353.371 2.127 20 10 FECDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1C(N)=O ZINC000792702643 682828790 /nfs/dbraw/zinc/82/87/90/682828790.db2.gz BTXRRASNYCNMNU-UHFFFAOYSA-N -1 1 368.436 2.022 20 10 FECDMM COc1ccccc1[C@@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920980229 683384762 /nfs/dbraw/zinc/38/47/62/683384762.db2.gz DODSBWKLWZWKMZ-ZMTLZGASSA-N -1 1 361.467 2.129 20 10 FECDMM Oc1c(F)cc(F)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000883088552 687560874 /nfs/dbraw/zinc/56/08/74/687560874.db2.gz JINWGZPSUDGOHD-UHFFFAOYSA-N -1 1 353.344 2.331 20 10 FECDMM Cc1cc(Br)c([O-])c([C@@H]2NC3(CCOCC3)C(=O)N2C)c1 ZINC000887333801 688407520 /nfs/dbraw/zinc/40/75/20/688407520.db2.gz ACCJRTJLCWDXDG-CYBMUJFWSA-N -1 1 355.232 2.073 20 10 FECDMM [O-]c1c(Br)cc(Cl)cc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000895079306 689655090 /nfs/dbraw/zinc/65/50/90/689655090.db2.gz XGKJXGJUQCMNCQ-GFCCVEGCSA-N -1 1 361.667 2.059 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2n(n1)CCCC2=O ZINC000907759480 691554837 /nfs/dbraw/zinc/55/48/37/691554837.db2.gz ZCCPGDZTYSSNHA-UHFFFAOYSA-N -1 1 364.199 2.258 20 10 FECDMM O=S(=O)(C[C@H]1COc2ccccc2O1)NCc1cccc(Cl)c1[O-] ZINC000908329150 691660591 /nfs/dbraw/zinc/66/05/91/691660591.db2.gz QGDPXFFUZRYMMM-GFCCVEGCSA-N -1 1 369.826 2.305 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC([N@H+](C)CC(=O)[O-])CC2)c1[O-] ZINC000186679279 548173219 /nfs/dbraw/zinc/17/32/19/548173219.db2.gz JROISOISGFFXJQ-UHFFFAOYSA-N -1 1 354.834 2.229 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+](C)CC(=O)[O-])CC2)c1[O-] ZINC000186679279 548173224 /nfs/dbraw/zinc/17/32/24/548173224.db2.gz JROISOISGFFXJQ-UHFFFAOYSA-N -1 1 354.834 2.229 20 10 FECDMM C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277602805 550690580 /nfs/dbraw/zinc/69/05/80/550690580.db2.gz ULKJVALSDJIRHO-SNVBAGLBSA-N -1 1 369.259 2.466 20 10 FECDMM Cc1c(CCC(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC000277648579 550696585 /nfs/dbraw/zinc/69/65/85/550696585.db2.gz YREFRVCCAHUPHE-UHFFFAOYSA-N -1 1 352.232 2.446 20 10 FECDMM Cn1ncc2c1C[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000282286591 551206803 /nfs/dbraw/zinc/20/68/03/551206803.db2.gz KKTPJGKNGYAEMX-SNVBAGLBSA-N -1 1 364.243 2.310 20 10 FECDMM COc1ccc(N2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000364397561 555306002 /nfs/dbraw/zinc/30/60/02/555306002.db2.gz MNUQQWBOTDALDC-UHFFFAOYSA-N -1 1 372.381 2.057 20 10 FECDMM O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368619619 556365317 /nfs/dbraw/zinc/36/53/17/556365317.db2.gz QPYNJMGCDNCRRS-CHWSQXEVSA-N -1 1 374.268 2.361 20 10 FECDMM COc1cccnc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000807417173 674415176 /nfs/dbraw/zinc/41/51/76/674415176.db2.gz VCXHECGHKXGCIA-UHFFFAOYSA-N -1 1 351.200 2.417 20 10 FECDMM COC(=O)C[C@@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809773055 674509436 /nfs/dbraw/zinc/50/94/36/674509436.db2.gz IAWJZVHRLKMCBI-GFCCVEGCSA-N -1 1 358.232 2.227 20 10 FECDMM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c(F)cc1[O-] ZINC000816477631 675057889 /nfs/dbraw/zinc/05/78/89/675057889.db2.gz FBKPATLIGNRBLX-UHFFFAOYSA-N -1 1 356.806 2.395 20 10 FECDMM CC(C)CN1C(=O)C(=CNCc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000060860434 670389827 /nfs/dbraw/zinc/38/98/27/670389827.db2.gz WCPQGRCITQALMU-JYRVWZFOSA-N -1 1 351.859 2.213 20 10 FECDMM CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000161086637 672295333 /nfs/dbraw/zinc/29/53/33/672295333.db2.gz MXSXFZLUBPDPBN-GFCCVEGCSA-N -1 1 362.835 2.353 20 10 FECDMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000194107638 672747759 /nfs/dbraw/zinc/74/77/59/672747759.db2.gz YVSXLVDHBGZZEI-UHFFFAOYSA-N -1 1 374.340 2.485 20 10 FECDMM Cc1nc(C)c([C@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1 ZINC000738348313 673618091 /nfs/dbraw/zinc/61/80/91/673618091.db2.gz HOMZPSSZOIVRKI-VIFPVBQESA-N -1 1 361.427 2.399 20 10 FECDMM C[C@@](O)(C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1)C(F)(F)F ZINC000828647752 675835498 /nfs/dbraw/zinc/83/54/98/675835498.db2.gz IVYVUVHXHOLENJ-CQSZACIVSA-N -1 1 351.296 2.402 20 10 FECDMM O=C(CNC(=O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765766409 680854582 /nfs/dbraw/zinc/85/45/82/680854582.db2.gz WFUPGVYAEAGEFO-UHFFFAOYSA-N -1 1 363.211 2.201 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3nccn3C)CC2)c1[O-] ZINC000750041648 680097188 /nfs/dbraw/zinc/09/71/88/680097188.db2.gz FLHAPGZPMUNNRW-UHFFFAOYSA-N -1 1 362.861 2.300 20 10 FECDMM COCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769702313 680991786 /nfs/dbraw/zinc/99/17/86/680991786.db2.gz XSYQWNGXFQYUCD-UHFFFAOYSA-N -1 1 350.396 2.162 20 10 FECDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000774613681 681211204 /nfs/dbraw/zinc/21/12/04/681211204.db2.gz GGEIVWFBXDZHLU-UHFFFAOYSA-N -1 1 362.451 2.470 20 10 FECDMM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775692719 681324769 /nfs/dbraw/zinc/32/47/69/681324769.db2.gz OHBFEQPQUJJAHR-UHFFFAOYSA-N -1 1 364.870 2.431 20 10 FECDMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000851781220 682132748 /nfs/dbraw/zinc/13/27/48/682132748.db2.gz QVZUKOOQHNBXHR-GFCCVEGCSA-N -1 1 366.439 2.480 20 10 FECDMM O=C(COC(=O)c1csc(-c2cnccn2)n1)c1ccc([O-])c(O)c1 ZINC000783451395 682146019 /nfs/dbraw/zinc/14/60/19/682146019.db2.gz KLCFAUAKVWAUTO-UHFFFAOYSA-N -1 1 357.347 2.051 20 10 FECDMM CO[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000867830893 684403406 /nfs/dbraw/zinc/40/34/06/684403406.db2.gz KTABJMCHNDJMQV-LBPRGKRZSA-N -1 1 374.231 2.128 20 10 FECDMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)c(Br)n1C ZINC000867836247 684405263 /nfs/dbraw/zinc/40/52/63/684405263.db2.gz LDLBRUCUVKXXFP-QMMMGPOBSA-N -1 1 374.260 2.236 20 10 FECDMM O=C(Cc1csc(N2CCCC2=O)n1)NCc1cccc(Cl)c1[O-] ZINC000890757244 688962688 /nfs/dbraw/zinc/96/26/88/688962688.db2.gz ARMLBKKRFOJHGQ-UHFFFAOYSA-N -1 1 365.842 2.488 20 10 FECDMM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895275332 689689149 /nfs/dbraw/zinc/68/91/49/689689149.db2.gz XXBNZXIAIXZQBC-JSGCOSHPSA-N -1 1 364.833 2.499 20 10 FECDMM CC(=O)c1cn(C2CN(Cc3cc(C)cc(Br)c3[O-])C2)nn1 ZINC000897939161 690104532 /nfs/dbraw/zinc/10/45/32/690104532.db2.gz RVJMDOGSYSMNGX-UHFFFAOYSA-N -1 1 365.231 2.314 20 10 FECDMM CC(C)O[C@@]1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CCOC1 ZINC000908326490 691660207 /nfs/dbraw/zinc/66/02/07/691660207.db2.gz BBXLAECAQPFQLK-HNNXBMFYSA-N -1 1 363.863 2.049 20 10 FECDMM O=C(CCC1CCCC1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276624358 550579542 /nfs/dbraw/zinc/57/95/42/550579542.db2.gz RPWHYSTZKRWVSK-UHFFFAOYSA-N -1 1 364.417 2.492 20 10 FECDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cn1C ZINC000276827323 550600533 /nfs/dbraw/zinc/60/05/33/550600533.db2.gz GZDPGQFRGJDSTQ-UHFFFAOYSA-N -1 1 352.412 2.271 20 10 FECDMM CCC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277550777 550683309 /nfs/dbraw/zinc/68/33/09/550683309.db2.gz OFTVSZLBGRBQMH-LLVKDONJSA-N -1 1 373.272 2.082 20 10 FECDMM C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277658053 550697486 /nfs/dbraw/zinc/69/74/86/550697486.db2.gz YYYAUXSYYRMRJW-PWSUYJOCSA-N -1 1 373.247 2.148 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1O ZINC000280501839 551001293 /nfs/dbraw/zinc/00/12/93/551001293.db2.gz CTUFPYQMTGMMOC-UHFFFAOYSA-N -1 1 351.380 2.363 20 10 FECDMM Cc1nnc(COCC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000287040738 551955354 /nfs/dbraw/zinc/95/53/54/551955354.db2.gz KZXWGLZMSVVXCL-UHFFFAOYSA-N -1 1 372.244 2.148 20 10 FECDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000288110010 552093018 /nfs/dbraw/zinc/09/30/18/552093018.db2.gz BRGBGLHYDXBJQS-MRVPVSSYSA-N -1 1 361.782 2.143 20 10 FECDMM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000371535232 557213048 /nfs/dbraw/zinc/21/30/48/557213048.db2.gz BVQOSFIRLYIYSM-DZGCQCFKSA-N -1 1 355.818 2.401 20 10 FECDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(CCN2CCOCC2)c1 ZINC000377207773 558288499 /nfs/dbraw/zinc/28/84/99/558288499.db2.gz GKUITQVFGIUQHJ-UHFFFAOYSA-N -1 1 354.813 2.326 20 10 FECDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738343400 598740450 /nfs/dbraw/zinc/74/04/50/598740450.db2.gz YJQXQGVTMYHJAV-UHFFFAOYSA-N -1 1 370.438 2.268 20 10 FECDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccn1 ZINC000832861664 601095726 /nfs/dbraw/zinc/09/57/26/601095726.db2.gz JFTWICPJOHFLMR-CQSZACIVSA-N -1 1 370.453 2.110 20 10 FECDMM CN1CCC(N2C(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)SC2=S)CC1 ZINC000830924041 601788413 /nfs/dbraw/zinc/78/84/13/601788413.db2.gz ZSBHLHXITYUBDS-KPKJPENVSA-N -1 1 351.453 2.008 20 10 FECDMM CN1CCC(N2C(=O)/C(=C/c3c[nH]c(C(=O)[O-])c3)SC2=S)CC1 ZINC000830924039 601788444 /nfs/dbraw/zinc/78/84/44/601788444.db2.gz ZSBHLHXITYUBDS-GHXNOFRVSA-N -1 1 351.453 2.008 20 10 FECDMM Cc1csc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765904392 680859019 /nfs/dbraw/zinc/85/90/19/680859019.db2.gz SSYVQEGUIAYXBY-UHFFFAOYSA-N -1 1 370.228 2.175 20 10 FECDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(F)c1F ZINC000755952241 680448105 /nfs/dbraw/zinc/44/81/05/680448105.db2.gz IPRZYAHIJRUTIL-UHFFFAOYSA-N -1 1 371.317 2.281 20 10 FECDMM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000841569954 680900140 /nfs/dbraw/zinc/90/01/40/680900140.db2.gz PEYSDSZZARTUQX-LLVKDONJSA-N -1 1 356.879 2.347 20 10 FECDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C)C1CCOCC1 ZINC000842589549 680953781 /nfs/dbraw/zinc/95/37/81/680953781.db2.gz SRJAOHRQUKKFPE-KRWDZBQOSA-N -1 1 373.471 2.363 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)CC2(C)C)c1 ZINC000843409292 681002324 /nfs/dbraw/zinc/00/23/24/681002324.db2.gz QYFWOPRFCXKVBO-UHFFFAOYSA-N -1 1 362.289 2.472 20 10 FECDMM COC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])c1ccnn1C ZINC000843429601 681003686 /nfs/dbraw/zinc/00/36/86/681003686.db2.gz HQDDOZASDZZGSJ-CYBMUJFWSA-N -1 1 368.231 2.201 20 10 FECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000776434958 681391418 /nfs/dbraw/zinc/39/14/18/681391418.db2.gz SSOGAIXOOGSRBI-UHFFFAOYSA-N -1 1 359.306 2.493 20 10 FECDMM COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000781576743 681949672 /nfs/dbraw/zinc/94/96/72/681949672.db2.gz MWMVEEFLWYIKGA-UHFFFAOYSA-N -1 1 354.359 2.164 20 10 FECDMM CCN(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000783684556 682166999 /nfs/dbraw/zinc/16/69/99/682166999.db2.gz VPYOSPFIEMJECD-UHFFFAOYSA-N -1 1 353.371 2.081 20 10 FECDMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000789993161 682644077 /nfs/dbraw/zinc/64/40/77/682644077.db2.gz SPLSZYHUACFQPH-GFCCVEGCSA-N -1 1 364.760 2.426 20 10 FECDMM CC[C@H](C)n1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000791571338 682751453 /nfs/dbraw/zinc/75/14/53/682751453.db2.gz ACYZFYMBUGQJJY-JTQLQIEISA-N -1 1 366.443 2.492 20 10 FECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000792703220 682829171 /nfs/dbraw/zinc/82/91/71/682829171.db2.gz QOJBHOPBNBJBOW-UHFFFAOYSA-N -1 1 350.421 2.410 20 10 FECDMM COc1cc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)ccc1O ZINC000797819309 683275772 /nfs/dbraw/zinc/27/57/72/683275772.db2.gz FDJRYTWENNJMOB-UHFFFAOYSA-N -1 1 372.330 2.258 20 10 FECDMM CC(C)CN1C(=O)C(=CN[C@@H](C)CCc2ccccc2)C(=O)[N-]C1=S ZINC000920976585 683384046 /nfs/dbraw/zinc/38/40/46/683384046.db2.gz XZKBMUWCKJGUEF-LUYJPIOASA-N -1 1 359.495 2.381 20 10 FECDMM COc1ccccc1[C@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920980228 683384599 /nfs/dbraw/zinc/38/45/99/683384599.db2.gz DODSBWKLWZWKMZ-IGVUGNCQSA-N -1 1 361.467 2.129 20 10 FECDMM O=S(=O)([N-]CCCSc1nccs1)c1c[nH]nc1C(F)(F)F ZINC000866782014 684151987 /nfs/dbraw/zinc/15/19/87/684151987.db2.gz ORDMFSDEVLXWME-UHFFFAOYSA-N -1 1 372.419 2.346 20 10 FECDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877793013 686463597 /nfs/dbraw/zinc/46/35/97/686463597.db2.gz LSVHQCLAHSJKFO-YPMHNXCESA-N -1 1 374.300 2.330 20 10 FECDMM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762571 688962890 /nfs/dbraw/zinc/96/28/90/688962890.db2.gz GHXTZODWXWCSOJ-LBPRGKRZSA-N -1 1 358.822 2.202 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(CN2CCOCC2)o1 ZINC000890763004 688963219 /nfs/dbraw/zinc/96/32/19/688963219.db2.gz MGWDFJJPAUBYGD-UHFFFAOYSA-N -1 1 350.802 2.401 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN(c2ncccn2)C1 ZINC000892071566 689146668 /nfs/dbraw/zinc/14/66/68/689146668.db2.gz XAFJIKFWOIKRGE-ZDUSSCGKSA-N -1 1 361.833 2.304 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN(c2ncccn2)C1 ZINC000892071564 689146803 /nfs/dbraw/zinc/14/68/03/689146803.db2.gz XAFJIKFWOIKRGE-CYBMUJFWSA-N -1 1 361.833 2.304 20 10 FECDMM Cn1nccc1[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000895215969 689678291 /nfs/dbraw/zinc/67/82/91/689678291.db2.gz UJXOWQZOZCWAGN-WFASDCNBSA-N -1 1 364.833 2.499 20 10 FECDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccn1 ZINC000132695330 544240688 /nfs/dbraw/zinc/24/06/88/544240688.db2.gz SAAYEOOQUQPLPK-CQSZACIVSA-N -1 1 351.414 2.022 20 10 FECDMM O=C(CN1CCCCCC1=O)NCc1cccc(Br)c1[O-] ZINC000277632307 550694502 /nfs/dbraw/zinc/69/45/02/550694502.db2.gz XHVNZDWJERDGSW-UHFFFAOYSA-N -1 1 355.232 2.174 20 10 FECDMM COc1c([O-])c(CN2CCN([C@H](C)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278164063 550756115 /nfs/dbraw/zinc/75/61/15/550756115.db2.gz DWPJRUDQRFIZSZ-SNVBAGLBSA-N -1 1 363.336 2.377 20 10 FECDMM CCOCc1nc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])no1 ZINC000291010551 552575654 /nfs/dbraw/zinc/57/56/54/552575654.db2.gz WUUPPEPPEZDYEK-SECBINFHSA-N -1 1 352.347 2.079 20 10 FECDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000295032289 552952733 /nfs/dbraw/zinc/95/27/33/552952733.db2.gz ILBPDJJUYRMKGP-UHFFFAOYSA-N -1 1 365.792 2.243 20 10 FECDMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000295325659 552987615 /nfs/dbraw/zinc/98/76/15/552987615.db2.gz ZHTWMBCIHDIKDG-UHFFFAOYSA-N -1 1 360.385 2.346 20 10 FECDMM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000295594943 553030855 /nfs/dbraw/zinc/03/08/55/553030855.db2.gz WVJKQOIPBPZILD-ONGXEEELSA-N -1 1 354.378 2.365 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000363447573 555107713 /nfs/dbraw/zinc/10/77/13/555107713.db2.gz CCWHTSSLDDHALS-UHFFFAOYSA-N -1 1 374.378 2.066 20 10 FECDMM CNC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000364172417 555263089 /nfs/dbraw/zinc/26/30/89/555263089.db2.gz QKRJFKIRHLWZEP-OAHLLOKOSA-N -1 1 367.877 2.043 20 10 FECDMM CN(C)c1ccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000373215104 557651076 /nfs/dbraw/zinc/65/10/76/557651076.db2.gz IRBKBCYKVNFFEP-UHFFFAOYSA-N -1 1 354.366 2.301 20 10 FECDMM Cc1csc(=O)n1CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738813975 600145080 /nfs/dbraw/zinc/14/50/80/600145080.db2.gz JPORURLRSMZDCK-UHFFFAOYSA-N -1 1 356.831 2.164 20 10 FECDMM Cc1csc(=O)n1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738813975 600145082 /nfs/dbraw/zinc/14/50/82/600145082.db2.gz JPORURLRSMZDCK-UHFFFAOYSA-N -1 1 356.831 2.164 20 10 FECDMM O=C([O-])N[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740596536 604292160 /nfs/dbraw/zinc/29/21/60/604292160.db2.gz MVBOBQRFTNZTDI-CYBMUJFWSA-N -1 1 356.378 2.171 20 10 FECDMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826280609 608545038 /nfs/dbraw/zinc/54/50/38/608545038.db2.gz IWLRXXMSOZCRPL-UHFFFAOYSA-N -1 1 369.404 2.158 20 10 FECDMM Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000828510622 675825986 /nfs/dbraw/zinc/82/59/86/675825986.db2.gz CTLFVXYZSMUIEL-NSHDSACASA-N -1 1 350.346 2.273 20 10 FECDMM Cc1nccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764761791 680820385 /nfs/dbraw/zinc/82/03/85/680820385.db2.gz DYFJOCXXSUJOKV-UHFFFAOYSA-N -1 1 351.204 2.253 20 10 FECDMM Cc1ccn2ncc(C(=O)NCc3cccc(Br)c3[O-])c2n1 ZINC000765730396 680852908 /nfs/dbraw/zinc/85/29/08/680852908.db2.gz UPTAKULAQKZSKP-UHFFFAOYSA-N -1 1 361.199 2.436 20 10 FECDMM Cc1noc(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903769 680859048 /nfs/dbraw/zinc/85/90/48/680859048.db2.gz LJLGDNHOYBVKIN-UHFFFAOYSA-N -1 1 368.187 2.014 20 10 FECDMM CC1(C)C[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCO1 ZINC000834886214 680280208 /nfs/dbraw/zinc/28/02/08/680280208.db2.gz ALIQFOOTNJCHOD-JTQLQIEISA-N -1 1 367.427 2.486 20 10 FECDMM O=C(CSc1nnc(CO)n1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000757985602 680547573 /nfs/dbraw/zinc/54/75/73/680547573.db2.gz XNVSSRWWZDPEGC-UHFFFAOYSA-N -1 1 357.391 2.146 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000769753941 680994009 /nfs/dbraw/zinc/99/40/09/680994009.db2.gz QQZMZDGBLNQSDQ-UHFFFAOYSA-N -1 1 364.427 2.328 20 10 FECDMM CC[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C(=O)NCc1cccs1 ZINC000844148939 681041742 /nfs/dbraw/zinc/04/17/42/681041742.db2.gz KCVREIPBDWHBID-LLVKDONJSA-N -1 1 352.387 2.123 20 10 FECDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(F)nc1F ZINC000866485243 684110448 /nfs/dbraw/zinc/11/04/48/684110448.db2.gz HRSNQCLBDFAHAY-UHFFFAOYSA-N -1 1 353.394 2.439 20 10 FECDMM CCO[C@H](C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000867831416 684403939 /nfs/dbraw/zinc/40/39/39/684403939.db2.gz YJXRBXPJPVGWLH-FZMZJTMJSA-N -1 1 358.232 2.213 20 10 FECDMM O=C(CSCC(=O)N1CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000890758365 688962658 /nfs/dbraw/zinc/96/26/58/688962658.db2.gz WIFFIKRXFURMSK-UHFFFAOYSA-N -1 1 356.875 2.408 20 10 FECDMM O=C(NCCc1nnc2n1CCCCC2)NCc1cccc(Cl)c1[O-] ZINC000891703119 689094945 /nfs/dbraw/zinc/09/49/45/689094945.db2.gz QPBMICYCDXJIPZ-UHFFFAOYSA-N -1 1 363.849 2.405 20 10 FECDMM Cn1cc(N2CCC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)cn1 ZINC000893218620 689315091 /nfs/dbraw/zinc/31/50/91/689315091.db2.gz CJTHJUTXLGPUGM-ZDUSSCGKSA-N -1 1 363.849 2.247 20 10 FECDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(CO)(CO)CC1 ZINC000895472595 689722848 /nfs/dbraw/zinc/72/28/48/689722848.db2.gz DNQBTLWUAOTSNV-UHFFFAOYSA-N -1 1 364.667 2.375 20 10 FECDMM CS(=O)(=O)CC1(CCNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000895644053 689749153 /nfs/dbraw/zinc/74/91/53/689749153.db2.gz FFVUGSQCWVXTER-UHFFFAOYSA-N -1 1 360.863 2.060 20 10 FECDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn(C2CCOCC2)c1 ZINC000908328451 691660580 /nfs/dbraw/zinc/66/05/80/691660580.db2.gz LXMVYWZZJJRTGC-UHFFFAOYSA-N -1 1 371.846 2.072 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000055222402 540637848 /nfs/dbraw/zinc/63/78/48/540637848.db2.gz BAJXZJASOISKGA-UHFFFAOYSA-N -1 1 372.406 2.406 20 10 FECDMM CC(C)(C)c1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000055320168 540646495 /nfs/dbraw/zinc/64/64/95/540646495.db2.gz CWQPSWCZSLYNLW-UHFFFAOYSA-N -1 1 370.456 2.165 20 10 FECDMM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc([O-])cc3F)c2)CC1 ZINC000187131282 548252742 /nfs/dbraw/zinc/25/27/42/548252742.db2.gz MGUXJIOFPTYRDA-UHFFFAOYSA-N -1 1 357.385 2.452 20 10 FECDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(N)ns3)CC2)c1[O-] ZINC000268287887 550045104 /nfs/dbraw/zinc/04/51/04/550045104.db2.gz IBBFXQAMKNDYSH-UHFFFAOYSA-N -1 1 367.862 2.004 20 10 FECDMM CCN1C(=S)N=NC1C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276627380 550579400 /nfs/dbraw/zinc/57/94/00/550579400.db2.gz RZVMHWBCUSKESY-UHFFFAOYSA-N -1 1 366.418 2.157 20 10 FECDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000276639225 550580262 /nfs/dbraw/zinc/58/02/62/550580262.db2.gz USCILUGWYSFQHZ-JTQLQIEISA-N -1 1 354.378 2.318 20 10 FECDMM C[C@@H](Sc1nncn1C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427093 550669359 /nfs/dbraw/zinc/66/93/59/550669359.db2.gz DHONZDXBOVMLHX-MRVPVSSYSA-N -1 1 371.260 2.080 20 10 FECDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000277655120 550697365 /nfs/dbraw/zinc/69/73/65/550697365.db2.gz MGZSKGBPVDEKFT-UHFFFAOYSA-N -1 1 354.384 2.017 20 10 FECDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000288110013 552092917 /nfs/dbraw/zinc/09/29/17/552092917.db2.gz BRGBGLHYDXBJQS-QMMMGPOBSA-N -1 1 361.782 2.143 20 10 FECDMM O=S(=O)(CC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000293099084 552788653 /nfs/dbraw/zinc/78/86/53/552788653.db2.gz NSMHMLYZBURNOJ-SNVBAGLBSA-N -1 1 364.261 2.001 20 10 FECDMM O=C(NCc1cc(F)ccc1N1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000295997048 553086830 /nfs/dbraw/zinc/08/68/30/553086830.db2.gz XKGJPTHCKDZAKE-UHFFFAOYSA-N -1 1 364.348 2.143 20 10 FECDMM C[C@@H](c1nccs1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000296329210 553142165 /nfs/dbraw/zinc/14/21/65/553142165.db2.gz PCVQYSKKEVJMMK-JTQLQIEISA-N -1 1 351.403 2.212 20 10 FECDMM CO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000296965166 553236227 /nfs/dbraw/zinc/23/62/27/553236227.db2.gz YKRKVWGXDKLSRJ-GXFFZTMASA-N -1 1 358.232 2.213 20 10 FECDMM CC(=O)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC12CCCCC2 ZINC000297294178 553274972 /nfs/dbraw/zinc/27/49/72/553274972.db2.gz YCWVGCYVEQJIEI-UHFFFAOYSA-N -1 1 350.390 2.244 20 10 FECDMM COc1c([O-])c(CN2CCNC(=O)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000364759456 555395553 /nfs/dbraw/zinc/39/55/53/555395553.db2.gz MMUDYSMHIARTRP-CYBMUJFWSA-N -1 1 363.395 2.044 20 10 FECDMM CSc1nc(C)c(CCC(=O)NCc2ccc3c(c2)CCN3C)c(=O)[n-]1 ZINC000372310637 557436238 /nfs/dbraw/zinc/43/62/38/557436238.db2.gz VMYLMXJDSPWXDY-UHFFFAOYSA-N -1 1 372.494 2.454 20 10 FECDMM C[C@@H](OCC(=O)NCc1cccc(Br)c1[O-])c1nccn1C ZINC000807416289 674415070 /nfs/dbraw/zinc/41/50/70/674415070.db2.gz BRXDDQNRUMBCBG-SNVBAGLBSA-N -1 1 368.231 2.282 20 10 FECDMM CCOCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000737177582 600214385 /nfs/dbraw/zinc/21/43/85/600214385.db2.gz QYXACGFCOQUOTL-HZRUHFOJSA-N -1 1 363.414 2.240 20 10 FECDMM COc1ccc2ccc(O)c(CN3CCO[C@H]([C@@H](C)NC(=O)[O-])C3)c2c1 ZINC000829527395 604438119 /nfs/dbraw/zinc/43/81/19/604438119.db2.gz YJLURJIKDNMVJT-XIKOKIGWSA-N -1 1 360.410 2.411 20 10 FECDMM Cn1nnc2cc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])ccc21 ZINC000833062011 604788894 /nfs/dbraw/zinc/78/88/94/604788894.db2.gz KOFGHUHBEGPMJH-UHFFFAOYSA-N -1 1 360.801 2.414 20 10 FECDMM Cn1nnc2cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])ccc21 ZINC000833062011 604788901 /nfs/dbraw/zinc/78/89/01/604788901.db2.gz KOFGHUHBEGPMJH-UHFFFAOYSA-N -1 1 360.801 2.414 20 10 FECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000817828042 675180819 /nfs/dbraw/zinc/18/08/19/675180819.db2.gz ZYEYSSDVSKMRQF-UHFFFAOYSA-N -1 1 368.361 2.245 20 10 FECDMM CCn1nc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000823757005 675570290 /nfs/dbraw/zinc/57/02/90/675570290.db2.gz MBQSJXMXYFKQNQ-UHFFFAOYSA-N -1 1 368.235 2.074 20 10 FECDMM CNC(=O)CN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000827862932 675784214 /nfs/dbraw/zinc/78/42/14/675784214.db2.gz VNTIRBHXUVIANC-UHFFFAOYSA-N -1 1 366.053 2.095 20 10 FECDMM O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc(O)c1[O-] ZINC000829680718 675887169 /nfs/dbraw/zinc/88/71/69/675887169.db2.gz DDNDUIXQIKSZPF-XLKFXECMSA-N -1 1 351.296 2.450 20 10 FECDMM CCOC(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764805146 680821556 /nfs/dbraw/zinc/82/15/56/680821556.db2.gz MVRZCZKAAWBRJE-UHFFFAOYSA-N -1 1 371.231 2.297 20 10 FECDMM CC1(CCNC(=O)NCc2cccc(Br)c2[O-])OCCO1 ZINC000764804410 680821575 /nfs/dbraw/zinc/82/15/75/680821575.db2.gz GRHUXJZOHQWGBT-UHFFFAOYSA-N -1 1 359.220 2.107 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccncc1[N+](=O)[O-] ZINC000765331083 680839640 /nfs/dbraw/zinc/83/96/40/680839640.db2.gz ZGXIFSSBBQJLGA-UHFFFAOYSA-N -1 1 367.159 2.202 20 10 FECDMM COc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765350300 680840066 /nfs/dbraw/zinc/84/00/66/680840066.db2.gz VROAGABQUJPIHV-UHFFFAOYSA-N -1 1 355.192 2.219 20 10 FECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2n[nH]nc2cc1F ZINC000765747503 680853797 /nfs/dbraw/zinc/85/37/97/680853797.db2.gz PAOYRTJZDGVJAR-UHFFFAOYSA-N -1 1 365.162 2.495 20 10 FECDMM CCSCCCc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771667821 681065703 /nfs/dbraw/zinc/06/57/03/681065703.db2.gz ZSMDCSDXLCENOK-UHFFFAOYSA-N -1 1 357.457 2.499 20 10 FECDMM COc1c([O-])c(CN2CC(=O)N(C(C)C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774906267 681249050 /nfs/dbraw/zinc/24/90/50/681249050.db2.gz WSBYTMXTVSCPMX-UHFFFAOYSA-N -1 1 351.403 2.140 20 10 FECDMM O=C(COC(=O)c1cccc(OCC(F)F)n1)c1ccc([O-])c(O)c1 ZINC000784418961 682225379 /nfs/dbraw/zinc/22/53/79/682225379.db2.gz LOIRTTHWKLUBEU-UHFFFAOYSA-N -1 1 353.277 2.176 20 10 FECDMM COCCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000787366705 682453539 /nfs/dbraw/zinc/45/35/39/682453539.db2.gz RLKFKQVCGGUWMK-UHFFFAOYSA-N -1 1 364.423 2.205 20 10 FECDMM CCOc1cc(O)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791142071 682724740 /nfs/dbraw/zinc/72/47/40/682724740.db2.gz OZYLNKWOZFLRIW-UHFFFAOYSA-N -1 1 366.395 2.120 20 10 FECDMM COc1cncc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000798455757 683350860 /nfs/dbraw/zinc/35/08/60/683350860.db2.gz ZJJUVSRDVIZTDL-UHFFFAOYSA-N -1 1 373.228 2.037 20 10 FECDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000800051557 683525416 /nfs/dbraw/zinc/52/54/16/683525416.db2.gz NQTDMASVCQPRKC-UHFFFAOYSA-N -1 1 352.303 2.379 20 10 FECDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000890758132 688962545 /nfs/dbraw/zinc/96/25/45/688962545.db2.gz RPQKVLKERLEJMH-SCZZXKLOSA-N -1 1 350.724 2.119 20 10 FECDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000890756775 688962684 /nfs/dbraw/zinc/96/26/84/688962684.db2.gz HMAKXMUKEDMDMW-WCFLWFBJSA-N -1 1 364.829 2.226 20 10 FECDMM Cc1c(S(=O)(=O)NCc2cccc(Cl)c2[O-])coc1C(=O)N(C)C ZINC000908329594 691660540 /nfs/dbraw/zinc/66/05/40/691660540.db2.gz SBTWIDUZHHTPIC-UHFFFAOYSA-N -1 1 372.830 2.127 20 10 FECDMM