smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000040719062 518288447 /nfs/dbraw/zinc/28/84/47/518288447.db2.gz DULCNOFSHUFAFQ-VIFPVBQESA-N 0 1 251.301 2.576 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000040719062 518288450 /nfs/dbraw/zinc/28/84/50/518288450.db2.gz DULCNOFSHUFAFQ-VIFPVBQESA-N 0 1 251.301 2.576 20 10 CFCDMN CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000036781592 519708588 /nfs/dbraw/zinc/70/85/88/519708588.db2.gz AYPNKMCPTWHFRB-LBPRGKRZSA-N 0 1 286.375 2.721 20 10 CFCDMN CCCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000275920903 520343834 /nfs/dbraw/zinc/34/38/34/520343834.db2.gz GMKWLLXMOAXBNA-SHTZXODSSA-N 0 1 293.407 2.916 20 10 CFCDMN CCCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000275920903 520343847 /nfs/dbraw/zinc/34/38/47/520343847.db2.gz GMKWLLXMOAXBNA-SHTZXODSSA-N 0 1 293.407 2.916 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000310955683 520483345 /nfs/dbraw/zinc/48/33/45/520483345.db2.gz NBSGVHCECBLRDV-UHFFFAOYSA-N 0 1 253.317 2.532 20 10 CFCDMN CCC[C@H]1CN(Cc2cccc(OCC)c2O)CCO1 ZINC000093508672 521220985 /nfs/dbraw/zinc/22/09/85/521220985.db2.gz QTLVILKARWHDMV-AWEZNQCLSA-N 0 1 279.380 2.792 20 10 CFCDMN CC[N@H+]1CCN(Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000289832424 521688976 /nfs/dbraw/zinc/68/89/76/521688976.db2.gz UJCIGRCIPXVKSS-LLVKDONJSA-N 0 1 268.788 2.572 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](C(N)=O)c1ccccc1 ZINC000157066910 521690620 /nfs/dbraw/zinc/69/06/20/521690620.db2.gz TXOHFIARHQRJCP-KRWDZBQOSA-N 0 1 298.386 2.831 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278214601 521869250 /nfs/dbraw/zinc/86/92/50/521869250.db2.gz KNYLJOFEOOFUJA-SNVBAGLBSA-N 0 1 280.324 2.683 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278218953 521869343 /nfs/dbraw/zinc/86/93/43/521869343.db2.gz LEMGYWCVUFTNTP-LLVKDONJSA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278143914 521869605 /nfs/dbraw/zinc/86/96/05/521869605.db2.gz BMODFCCDPDBINN-SECBINFHSA-N 0 1 280.324 2.539 20 10 CFCDMN CC[C@H](NCc1nccn1C)c1ccc(C)cc1O ZINC000280009055 522670209 /nfs/dbraw/zinc/67/02/09/522670209.db2.gz GNAZJKHATXZOQQ-ZDUSSCGKSA-N 0 1 259.353 2.675 20 10 CFCDMN COC(=O)C(C)(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000285402587 522771978 /nfs/dbraw/zinc/77/19/78/522771978.db2.gz FGNDNEPOWQAFMX-UHFFFAOYSA-N 0 1 285.771 2.725 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCOC1 ZINC000271164948 523158053 /nfs/dbraw/zinc/15/80/53/523158053.db2.gz BHILGUKQNDOSHE-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCOC1 ZINC000271164948 523158059 /nfs/dbraw/zinc/15/80/59/523158059.db2.gz BHILGUKQNDOSHE-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN CO[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000221275807 523739085 /nfs/dbraw/zinc/73/90/85/523739085.db2.gz RLYRESLYSXSGLA-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000221275807 523739098 /nfs/dbraw/zinc/73/90/98/523739098.db2.gz RLYRESLYSXSGLA-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000289744151 523889866 /nfs/dbraw/zinc/88/98/66/523889866.db2.gz HRAACRYOWLSNMX-RKDXNWHRSA-N 0 1 288.185 2.668 20 10 CFCDMN COc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1 ZINC000071711699 524432456 /nfs/dbraw/zinc/43/24/56/524432456.db2.gz ZBUBBKYIPJHYFH-HNNXBMFYSA-N 0 1 297.402 2.973 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000280603016 524627869 /nfs/dbraw/zinc/62/78/69/524627869.db2.gz OEEKQAUJONEOHK-HZMBPMFUSA-N 0 1 265.328 2.531 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000228155948 524742659 /nfs/dbraw/zinc/74/26/59/524742659.db2.gz RHMUNVHZNJAJRW-GDBMZVCRSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000273527204 525504564 /nfs/dbraw/zinc/50/45/64/525504564.db2.gz VOZHNSXMVOYNIW-UTUOFQBUSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000279054480 525759508 /nfs/dbraw/zinc/75/95/08/525759508.db2.gz KJNONUHENHCFPX-NXEZZACHSA-N 0 1 257.761 2.857 20 10 CFCDMN Cc1cnn(C2CN(Cc3c(O)ccc(Cl)c3F)C2)c1 ZINC000364831208 526256922 /nfs/dbraw/zinc/25/69/22/526256922.db2.gz VVDYUUVMPLTIJC-UHFFFAOYSA-N 0 1 295.745 2.747 20 10 CFCDMN CC[C@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738083273 574057400 /nfs/dbraw/zinc/05/74/00/574057400.db2.gz VHEKTSRDUGALLE-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[C@H]1COCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738083273 574057401 /nfs/dbraw/zinc/05/74/01/574057401.db2.gz VHEKTSRDUGALLE-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000731843571 574130255 /nfs/dbraw/zinc/13/02/55/574130255.db2.gz RAWWQLVYEHOWES-CYBMUJFWSA-N 0 1 290.407 2.661 20 10 CFCDMN CCC[N@H+](Cc1ccccc1O)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739360400 574209999 /nfs/dbraw/zinc/20/99/99/574209999.db2.gz UWTUAOOBNHZERI-CYBMUJFWSA-N 0 1 292.379 2.604 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000733330188 574222690 /nfs/dbraw/zinc/22/26/90/574222690.db2.gz RNGYFKAIRAZXQI-JTQLQIEISA-N 0 1 283.677 2.713 20 10 CFCDMN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1 ZINC000756338499 574226632 /nfs/dbraw/zinc/22/66/32/574226632.db2.gz LUYXHYXEBSFQBB-AWEZNQCLSA-N 0 1 290.388 2.730 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756400326 574233947 /nfs/dbraw/zinc/23/39/47/574233947.db2.gz JXWJGACDZDYCGZ-MNOVXSKESA-N 0 1 296.361 2.805 20 10 CFCDMN Cc1cc(C[N@@H+](C)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000740079745 574234846 /nfs/dbraw/zinc/23/48/46/574234846.db2.gz KJLLONHDZUBDSL-UHFFFAOYSA-N 0 1 265.353 2.515 20 10 CFCDMN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000748245814 574243322 /nfs/dbraw/zinc/24/33/22/574243322.db2.gz DRCYOFICSXQFGE-AWEZNQCLSA-N 0 1 285.771 2.867 20 10 CFCDMN C[C@H]1C[C@H](NCc2nccn2C)c2c1c(F)ccc2O ZINC000756539710 574245034 /nfs/dbraw/zinc/24/50/34/574245034.db2.gz SBFDACJGGWYLTG-ONGXEEELSA-N 0 1 275.327 2.603 20 10 CFCDMN CCc1cc(CN[C@H](C)c2cc(F)ccc2O)on1 ZINC000756608106 574251958 /nfs/dbraw/zinc/25/19/58/574251958.db2.gz QFBKLIKVURMAPX-SECBINFHSA-N 0 1 264.300 2.933 20 10 CFCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ncn1 ZINC000756777370 574262251 /nfs/dbraw/zinc/26/22/51/574262251.db2.gz XDAIRUZCSREGKM-SNVBAGLBSA-N 0 1 277.755 2.995 20 10 CFCDMN Cc1ccc(F)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000734981650 574308943 /nfs/dbraw/zinc/30/89/43/574308943.db2.gz SMYSDYPELUUUGI-UVTDQMKNSA-N 0 1 296.301 2.596 20 10 CFCDMN CN(C)c1ccc(CNC(C)(C)c2cnn(C)c2)cc1F ZINC000742374028 574325602 /nfs/dbraw/zinc/32/56/02/574325602.db2.gz PIHGIFQTJKYHCI-UHFFFAOYSA-N 0 1 290.386 2.650 20 10 CFCDMN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000743500316 574367318 /nfs/dbraw/zinc/36/73/18/574367318.db2.gz WMFCWLPUTIUNFQ-ZWNOBZJWSA-N 0 1 271.788 2.932 20 10 CFCDMN COC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751947987 574385550 /nfs/dbraw/zinc/38/55/50/574385550.db2.gz WNXRBPVYFAAUCE-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN COC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751947987 574385551 /nfs/dbraw/zinc/38/55/51/574385551.db2.gz WNXRBPVYFAAUCE-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CC(C)[N@@H+](CCCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000083662633 600225425 /nfs/dbraw/zinc/22/54/25/600225425.db2.gz GHLCDACEMUZGBG-UHFFFAOYSA-N 0 1 278.396 2.828 20 10 CFCDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086728316 600712770 /nfs/dbraw/zinc/71/27/70/600712770.db2.gz SIOYMHIIWVEVSJ-ZDUSSCGKSA-N 0 1 285.343 2.842 20 10 CFCDMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1O ZINC000830819317 601953704 /nfs/dbraw/zinc/95/37/04/601953704.db2.gz CPDOXRPRQYFPAC-UHFFFAOYSA-N 0 1 277.345 2.784 20 10 CFCDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1c(O)cccc1Cl ZINC000833486960 604579056 /nfs/dbraw/zinc/57/90/56/604579056.db2.gz WYDRIYFODCLFJT-UHFFFAOYSA-N 0 1 285.771 2.978 20 10 CFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000833419509 605548802 /nfs/dbraw/zinc/54/88/02/605548802.db2.gz FTELURKNNCXOJM-LBPRGKRZSA-N 0 1 295.354 2.854 20 10 CFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000833419509 605548804 /nfs/dbraw/zinc/54/88/04/605548804.db2.gz FTELURKNNCXOJM-LBPRGKRZSA-N 0 1 295.354 2.854 20 10 CFCDMN COCCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824632227 623535241 /nfs/dbraw/zinc/53/52/41/623535241.db2.gz AGMMKUAXBPNEMX-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN COCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824632227 623535245 /nfs/dbraw/zinc/53/52/45/623535245.db2.gz AGMMKUAXBPNEMX-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CCn1ccc(CN[C@@H](C)c2cc(C)ccc2O)n1 ZINC000840840381 617679688 /nfs/dbraw/zinc/67/96/88/617679688.db2.gz JBEFQHVGJLVERQ-LBPRGKRZSA-N 0 1 259.353 2.768 20 10 CFCDMN CN(Cc1ccnn1C1CCC1)Cc1ccccc1O ZINC000891714279 617724328 /nfs/dbraw/zinc/72/43/28/617724328.db2.gz UTFYKAOCBFRVQS-UHFFFAOYSA-N 0 1 271.364 2.946 20 10 CFCDMN COc1cc(CN2CCOC3(CCCC3)C2)c(O)cc1C ZINC000160433797 618063953 /nfs/dbraw/zinc/06/39/53/618063953.db2.gz LQKWTWYTDXCIDC-UHFFFAOYSA-N 0 1 291.391 2.854 20 10 CFCDMN Cc1cc(CNCc2ccc3c(c2)CCCN3C)on1 ZINC000050286939 618089731 /nfs/dbraw/zinc/08/97/31/618089731.db2.gz UQJJCWRYBGLUEZ-UHFFFAOYSA-N 0 1 271.364 2.655 20 10 CFCDMN CCN(C)c1ccc(CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000933401589 618220107 /nfs/dbraw/zinc/22/01/07/618220107.db2.gz LCTDAZSJQXCGHR-UHFFFAOYSA-N 0 1 285.391 2.875 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000893966105 618254765 /nfs/dbraw/zinc/25/47/65/618254765.db2.gz HCIXJCSCKVXOML-SNVBAGLBSA-N 0 1 293.317 2.773 20 10 CFCDMN CCC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C)C1 ZINC000895077200 618265785 /nfs/dbraw/zinc/26/57/85/618265785.db2.gz CBXTUKUWYCSGRV-CYBMUJFWSA-N 0 1 284.350 2.587 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@H]1c1ccco1 ZINC000894021181 618272332 /nfs/dbraw/zinc/27/23/32/618272332.db2.gz PPQCHWFDGQXVFG-ZDUSSCGKSA-N 0 1 295.285 2.837 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894034176 618276518 /nfs/dbraw/zinc/27/65/18/618276518.db2.gz LXOKOSZVFYGGKU-LLVKDONJSA-N 0 1 273.348 2.998 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000310536786 618320052 /nfs/dbraw/zinc/32/00/52/618320052.db2.gz PMJSMXYYRZRMII-GFCCVEGCSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000310536786 618320055 /nfs/dbraw/zinc/32/00/55/618320055.db2.gz PMJSMXYYRZRMII-GFCCVEGCSA-N 0 1 255.745 2.656 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000895149566 618390459 /nfs/dbraw/zinc/39/04/59/618390459.db2.gz LEXOUVKCBGQBPY-LBPRGKRZSA-N 0 1 275.245 2.902 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CO ZINC000895152362 618397151 /nfs/dbraw/zinc/39/71/51/618397151.db2.gz SPZSRWAOSZVOAJ-CYBMUJFWSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000895152362 618397160 /nfs/dbraw/zinc/39/71/60/618397160.db2.gz SPZSRWAOSZVOAJ-CYBMUJFWSA-N 0 1 269.772 2.783 20 10 CFCDMN CC[C@@H](C)NC(=O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840880244 618427786 /nfs/dbraw/zinc/42/77/86/618427786.db2.gz JTLULCVGIQHHAT-LLVKDONJSA-N 0 1 298.814 2.748 20 10 CFCDMN CCc1[nH]nc(Cl)c1CNCc1ccc(OC)cc1O ZINC000894184983 618432618 /nfs/dbraw/zinc/43/26/18/618432618.db2.gz IGCDRJGPEQLSPC-UHFFFAOYSA-N 0 1 295.770 2.630 20 10 CFCDMN CC(C)(C)OC1CN(Cc2cc(F)cc(F)c2O)C1 ZINC000895468424 618601334 /nfs/dbraw/zinc/60/13/34/618601334.db2.gz UGYYBGZLJPAEPC-UHFFFAOYSA-N 0 1 271.307 2.670 20 10 CFCDMN COc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000892792466 618747064 /nfs/dbraw/zinc/74/70/64/618747064.db2.gz GQMKEMBHIINWFR-UHFFFAOYSA-N 0 1 259.305 2.513 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000184724210 618918373 /nfs/dbraw/zinc/91/83/73/618918373.db2.gz JCTIDAMKJBFJQZ-MNOVXSKESA-N 0 1 273.336 2.603 20 10 CFCDMN CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000925786763 619112283 /nfs/dbraw/zinc/11/22/83/619112283.db2.gz VYVPEKGZPMYTRB-JIMOISOXSA-N 0 1 268.788 2.694 20 10 CFCDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840949172 619118424 /nfs/dbraw/zinc/11/84/24/619118424.db2.gz PQNUGVVIOWAYLX-CQSZACIVSA-N 0 1 269.772 2.869 20 10 CFCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(F)ccc1O ZINC000226561736 619152427 /nfs/dbraw/zinc/15/24/27/619152427.db2.gz KDROVWYNPRQNFU-GWCFXTLKSA-N 0 1 253.317 2.531 20 10 CFCDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978071 619207270 /nfs/dbraw/zinc/20/72/70/619207270.db2.gz KZMURXFESCAXBV-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000893929382 619246161 /nfs/dbraw/zinc/24/61/61/619246161.db2.gz PVJPAROAXJBAJL-SNVBAGLBSA-N 0 1 283.318 2.671 20 10 CFCDMN COc1cc(C)cc(CNCc2ncccc2F)c1O ZINC000894356144 619347651 /nfs/dbraw/zinc/34/76/51/619347651.db2.gz GXWHDLIPJWPFRJ-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000894421957 619382994 /nfs/dbraw/zinc/38/29/94/619382994.db2.gz YQNGMFHVHSOSNL-YGRLFVJLSA-N 0 1 285.334 2.653 20 10 CFCDMN C[C@@H]1CCSCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894555880 619415033 /nfs/dbraw/zinc/41/50/33/619415033.db2.gz PGJWJRFXBHPBKY-SECBINFHSA-N 0 1 273.348 2.998 20 10 CFCDMN C/C=C/C[C@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894563771 619418503 /nfs/dbraw/zinc/41/85/03/619418503.db2.gz WKSHFCQOLYTCCO-LQPUYASZSA-N 0 1 299.317 2.658 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000894689496 619444019 /nfs/dbraw/zinc/44/40/19/619444019.db2.gz GADCIJQYBKCLDQ-CYBMUJFWSA-N 0 1 285.334 2.797 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@H]1CC(F)F ZINC000894757223 619458756 /nfs/dbraw/zinc/45/87/56/619458756.db2.gz RNFSCIHRSRUJQW-SNVBAGLBSA-N 0 1 293.260 2.526 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894797848 619468632 /nfs/dbraw/zinc/46/86/32/619468632.db2.gz AGCKXVQDANALEM-CQSZACIVSA-N 0 1 285.771 2.678 20 10 CFCDMN COc1cc(CN2C[C@H](C)OC(C)(C)C2)c(O)cc1C ZINC000159941926 619504229 /nfs/dbraw/zinc/50/42/29/619504229.db2.gz JMFVZBAYEQKRBN-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN C[C@@H](NCCCSc1nccs1)c1ncco1 ZINC000925103879 619536616 /nfs/dbraw/zinc/53/66/16/619536616.db2.gz TXOBUVHXQUCPMH-SECBINFHSA-N 0 1 269.395 2.964 20 10 CFCDMN Cc1ccc(O)c(CNCc2nccn2C2CC2)c1 ZINC000895580078 619562730 /nfs/dbraw/zinc/56/27/30/619562730.db2.gz FUPQJNANZOCMMN-UHFFFAOYSA-N 0 1 257.337 2.522 20 10 CFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845776 619621354 /nfs/dbraw/zinc/62/13/54/619621354.db2.gz IZXNGQJOKZODDL-IAQYHMDHSA-N 0 1 265.328 2.532 20 10 CFCDMN Cc1nc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)no1 ZINC000896241308 619703005 /nfs/dbraw/zinc/70/30/05/619703005.db2.gz XYNQGXUWSPAMCM-SNVBAGLBSA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)no1 ZINC000896241308 619703008 /nfs/dbraw/zinc/70/30/08/619703008.db2.gz XYNQGXUWSPAMCM-SNVBAGLBSA-N 0 1 293.754 2.727 20 10 CFCDMN CO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)ccc1[O-])CCO2 ZINC000896412939 619732229 /nfs/dbraw/zinc/73/22/29/619732229.db2.gz HTWYOTUQBPMPPQ-CABCVRRESA-N 0 1 297.782 2.821 20 10 CFCDMN Cc1cc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])nn1C ZINC000896818342 619828937 /nfs/dbraw/zinc/82/89/37/619828937.db2.gz AVGNVXCPIIOGRP-UHFFFAOYSA-N 0 1 293.798 2.728 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000840998349 620117697 /nfs/dbraw/zinc/11/76/97/620117697.db2.gz AHQYREVLPNJEIL-KRWDZBQOSA-N 0 1 290.407 2.829 20 10 CFCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000237391705 620215364 /nfs/dbraw/zinc/21/53/64/620215364.db2.gz OJFMTSUMEZLUFU-OAHLLOKOSA-N 0 1 297.402 2.769 20 10 CFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756538 620250456 /nfs/dbraw/zinc/25/04/56/620250456.db2.gz XEEDUKZSLUAWPX-ZJUUUORDSA-N 0 1 284.787 2.609 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CC23CC(O)C3)ccc2ccccc21 ZINC000897844120 620292712 /nfs/dbraw/zinc/29/27/12/620292712.db2.gz LUSPVFYJYKANKK-GULBITTBSA-N 0 1 269.344 2.548 20 10 CFCDMN [O-]c1c(C[NH2+]CC[C@@H](O)C2CC2)ccc2ccccc21 ZINC000898199000 620353647 /nfs/dbraw/zinc/35/36/47/620353647.db2.gz XWOHSNSVADQUIP-MRXNPFEDSA-N 0 1 271.360 2.796 20 10 CFCDMN CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927082561 620450305 /nfs/dbraw/zinc/45/03/05/620450305.db2.gz XPQMXKLOBBXFSR-TZMCWYRMSA-N 0 1 299.798 2.892 20 10 CFCDMN CCn1cnc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000902245695 621011291 /nfs/dbraw/zinc/01/12/91/621011291.db2.gz TYZFTXGLHPZAAT-UHFFFAOYSA-N 0 1 272.396 2.567 20 10 CFCDMN C[C@H]1C[C@H](NCc2csc(N)n2)c2c1c(F)ccc2O ZINC000902499969 621105373 /nfs/dbraw/zinc/10/53/73/621105373.db2.gz RGRCLZRIHUBFNF-XVKPBYJWSA-N 0 1 293.367 2.908 20 10 CFCDMN COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903339618 621334500 /nfs/dbraw/zinc/33/45/00/621334500.db2.gz ZTEBAEVPOUVKLW-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN COc1nn(C)cc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000903339618 621334501 /nfs/dbraw/zinc/33/45/01/621334501.db2.gz ZTEBAEVPOUVKLW-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@H](NCc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000903352978 621344362 /nfs/dbraw/zinc/34/43/62/621344362.db2.gz XSHQVZXFMCDDFY-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000903352978 621344365 /nfs/dbraw/zinc/34/43/65/621344365.db2.gz XSHQVZXFMCDDFY-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[NH2+]CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000903570395 621398567 /nfs/dbraw/zinc/39/85/67/621398567.db2.gz GAOZXYBCRVKUMR-UHFFFAOYSA-N 0 1 298.814 2.678 20 10 CFCDMN CCC1([NH3+])CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000903945999 621483237 /nfs/dbraw/zinc/48/32/37/621483237.db2.gz COFLJRIYXBOFHC-UHFFFAOYSA-N 0 1 268.788 2.749 20 10 CFCDMN C[C@H]1CSCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876735281 622947667 /nfs/dbraw/zinc/94/76/67/622947667.db2.gz CKTPFUAUGHESPK-QMMMGPOBSA-N 0 1 259.321 2.608 20 10 CFCDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840747004 623515009 /nfs/dbraw/zinc/51/50/09/623515009.db2.gz STKQIOIBSNKIBL-OLZOCXBDSA-N 0 1 272.396 2.898 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CNC(CF)CF ZINC000824555829 623523629 /nfs/dbraw/zinc/52/36/29/623523629.db2.gz XPQDQHDSJMLSHT-UHFFFAOYSA-N 0 1 253.651 2.582 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@@H](C)O)C(C)C)cc1Cl ZINC000824725555 623552545 /nfs/dbraw/zinc/55/25/45/623552545.db2.gz DBUBMFMTWKWCFY-LLVKDONJSA-N 0 1 271.788 2.945 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@@H](C)O)C(C)C)cc1Cl ZINC000824725555 623552551 /nfs/dbraw/zinc/55/25/51/623552551.db2.gz DBUBMFMTWKWCFY-LLVKDONJSA-N 0 1 271.788 2.945 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CCCO)C2CC2)cc1Cl ZINC000824802525 623568775 /nfs/dbraw/zinc/56/87/75/623568775.db2.gz MIGQEFJTWGDCKP-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CCCO)C2CC2)cc1Cl ZINC000824802525 623568779 /nfs/dbraw/zinc/56/87/79/623568779.db2.gz MIGQEFJTWGDCKP-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN C[N@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1[O-] ZINC000824819838 623572218 /nfs/dbraw/zinc/57/22/18/623572218.db2.gz UTVHYKXKFDTKSQ-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Br)cc1[O-] ZINC000824819838 623572220 /nfs/dbraw/zinc/57/22/20/623572220.db2.gz UTVHYKXKFDTKSQ-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN CN(Cc1cn[nH]c1)Cc1ccc(Br)cc1O ZINC000824819838 623572222 /nfs/dbraw/zinc/57/22/22/623572222.db2.gz UTVHYKXKFDTKSQ-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000824845961 623576576 /nfs/dbraw/zinc/57/65/76/623576576.db2.gz POVDNQYNKNKGBI-HOCLYGCPSA-N 0 1 283.387 2.910 20 10 CFCDMN CC[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](C)O ZINC000824921664 623589402 /nfs/dbraw/zinc/58/94/02/623589402.db2.gz OTLWFKHYDWITOI-NHYWBVRUSA-N 0 1 259.349 2.794 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1O ZINC000824943078 623592957 /nfs/dbraw/zinc/59/29/57/623592957.db2.gz HEOSRSQWXIUIIL-HZMBPMFUSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1O ZINC000824943078 623592962 /nfs/dbraw/zinc/59/29/62/623592962.db2.gz HEOSRSQWXIUIIL-HZMBPMFUSA-N 0 1 269.772 2.557 20 10 CFCDMN CCCc1ncc(CNCc2cc(C)ccc2O)o1 ZINC000825084337 623625630 /nfs/dbraw/zinc/62/56/30/623625630.db2.gz DWOXVNRARCJLMY-UHFFFAOYSA-N 0 1 260.337 2.931 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(C)C)cc1Cl ZINC000825288298 623664148 /nfs/dbraw/zinc/66/41/48/623664148.db2.gz PTMQSTYJPNKYKK-AWEZNQCLSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)C[C@@H](C)O)cc1Cl ZINC000825303995 623667074 /nfs/dbraw/zinc/66/70/74/623667074.db2.gz PEJTWQGEIDJDQM-MWLCHTKSSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccco2)cc1Cl ZINC000825325493 623671725 /nfs/dbraw/zinc/67/17/25/623671725.db2.gz GSAZBSJMYORTCV-HNNXBMFYSA-N 0 1 295.766 2.944 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000825353051 623678919 /nfs/dbraw/zinc/67/89/19/623678919.db2.gz KVXKEYYYJWJFCH-XHDPSFHLSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1Cl ZINC000825385045 623683889 /nfs/dbraw/zinc/68/38/89/623683889.db2.gz OSTQOZMCYQMNHS-NSHDSACASA-N 0 1 297.704 2.757 20 10 CFCDMN CN(C)c1ccc(CNc2nc(N)nc3c2CCCC3)cc1 ZINC000825535003 623710996 /nfs/dbraw/zinc/71/09/96/623710996.db2.gz XEKQGKBZPONGCF-UHFFFAOYSA-N 0 1 297.406 2.616 20 10 CFCDMN CCOC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825562424 623715949 /nfs/dbraw/zinc/71/59/49/623715949.db2.gz LIIRXENPQQFVDP-JTQLQIEISA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCCCO)cc1Cl ZINC000825667395 623734833 /nfs/dbraw/zinc/73/48/33/623734833.db2.gz XVDABQNNJVLNMS-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCCCO)cc1Cl ZINC000825667395 623734838 /nfs/dbraw/zinc/73/48/38/623734838.db2.gz XVDABQNNJVLNMS-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825731292 623748268 /nfs/dbraw/zinc/74/82/68/623748268.db2.gz FRCLVPKXCHXXMK-HIFRSBDPSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCCCO)cc1Cl ZINC000825731918 623748349 /nfs/dbraw/zinc/74/83/49/623748349.db2.gz MGABPEVEHBSRIR-UHFFFAOYSA-N 0 1 257.761 2.606 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825892181 623766976 /nfs/dbraw/zinc/76/69/76/623766976.db2.gz AROZXCRICSJQEZ-JTQLQIEISA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825892181 623766979 /nfs/dbraw/zinc/76/69/79/623766979.db2.gz AROZXCRICSJQEZ-JTQLQIEISA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825892181 623766982 /nfs/dbraw/zinc/76/69/82/623766982.db2.gz AROZXCRICSJQEZ-JTQLQIEISA-N 0 1 257.761 2.821 20 10 CFCDMN C[C@@H](CN(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000825901403 623768260 /nfs/dbraw/zinc/76/82/60/623768260.db2.gz ZLOOQBDXDJSBNK-LBPRGKRZSA-N 0 1 258.365 2.585 20 10 CFCDMN Cc1cc(O)c(CN(C)C[C@@H](O)C(F)(F)F)cc1Cl ZINC000825927911 623770557 /nfs/dbraw/zinc/77/05/57/623770557.db2.gz KGGRUYZAYLEADG-LLVKDONJSA-N 0 1 297.704 2.709 20 10 CFCDMN CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825948665 623774637 /nfs/dbraw/zinc/77/46/37/623774637.db2.gz HVHQAWFVTFHDIO-RKDXNWHRSA-N 0 1 288.185 2.668 20 10 CFCDMN C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])C1(CO)CC1 ZINC000826991000 623920109 /nfs/dbraw/zinc/92/01/09/623920109.db2.gz QKYBTUYGXGSHSM-LBPRGKRZSA-N 0 1 271.360 2.796 20 10 CFCDMN COCC[N@H+](CCF)Cc1cc(Cl)cc(F)c1[O-] ZINC000827054116 623932735 /nfs/dbraw/zinc/93/27/35/623932735.db2.gz LYHQUWNIZXJNNB-UHFFFAOYSA-N 0 1 279.714 2.603 20 10 CFCDMN COCC[N@@H+](CCF)Cc1cc(Cl)cc(F)c1[O-] ZINC000827054116 623932739 /nfs/dbraw/zinc/93/27/39/623932739.db2.gz LYHQUWNIZXJNNB-UHFFFAOYSA-N 0 1 279.714 2.603 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151539 623953847 /nfs/dbraw/zinc/95/38/47/623953847.db2.gz DXYRBXCWAIYZMV-HNNXBMFYSA-N 0 1 299.773 2.922 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1Cl ZINC000827147562 623953898 /nfs/dbraw/zinc/95/38/98/623953898.db2.gz SVBPTXIVGHWTIZ-HBYGRHMLSA-N 0 1 283.799 2.803 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1Cl ZINC000827147562 623953903 /nfs/dbraw/zinc/95/39/03/623953903.db2.gz SVBPTXIVGHWTIZ-HBYGRHMLSA-N 0 1 283.799 2.803 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@]1(C)CO ZINC000827692862 624066125 /nfs/dbraw/zinc/06/61/25/624066125.db2.gz QWXREDYNEUGALE-XPTSAGLGSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc(O)c(CN[C@@H](C)c2nccn2C)cc1Cl ZINC000827722157 624075599 /nfs/dbraw/zinc/07/55/99/624075599.db2.gz BHAYKYZRFMDQMN-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN COc1cc(Cl)cc(CN[C@@H](C)c2nccn2C)c1O ZINC000827722609 624076991 /nfs/dbraw/zinc/07/69/91/624076991.db2.gz OEPUXYSIRVIFBI-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN Cc1cc(Cl)cc(CN[C@H](C)c2nccn2C)c1O ZINC000827722786 624077362 /nfs/dbraw/zinc/07/73/62/624077362.db2.gz VPYHIABHCMFEQU-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(N)cc2)o1 ZINC000832244351 625252206 /nfs/dbraw/zinc/25/22/06/625252206.db2.gz NGLIELVPYOTDAV-UHFFFAOYSA-N 0 1 287.363 2.956 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834902428 625916157 /nfs/dbraw/zinc/91/61/57/625916157.db2.gz AQVPGMWZICOJGH-MRCXROJRSA-N 0 1 285.771 2.500 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000834905329 625918057 /nfs/dbraw/zinc/91/80/57/625918057.db2.gz GBCQZJNDUOCCOY-RTXFEEFZSA-N 0 1 257.333 2.719 20 10 CFCDMN COc1cccnc1CN[C@@H](C)c1cc(C)ccc1O ZINC000834905678 625918562 /nfs/dbraw/zinc/91/85/62/625918562.db2.gz JTLUTNJYISLRBR-LBPRGKRZSA-N 0 1 272.348 2.955 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000834906895 625918988 /nfs/dbraw/zinc/91/89/88/625918988.db2.gz JGUUXEIZOBCTCF-KWCYVHTRSA-N 0 1 298.386 2.850 20 10 CFCDMN 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CFCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)N(C)C)c(Cl)c1 ZINC000840875772 631247268 /nfs/dbraw/zinc/24/72/68/631247268.db2.gz HJXNHZGCNPMVHU-UHFFFAOYSA-N 0 1 270.804 2.784 20 10 CFCDMN CO[C@@H](C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840890817 631253351 /nfs/dbraw/zinc/25/33/51/631253351.db2.gz OQTOJRRBKMMKJT-JTQLQIEISA-N 0 1 257.761 2.869 20 10 CFCDMN COC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909532 631255933 /nfs/dbraw/zinc/25/59/33/631255933.db2.gz HUMKEVSKOPYFJF-UHFFFAOYSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccco2)c(Cl)c1 ZINC000840905336 631257843 /nfs/dbraw/zinc/25/78/43/631257843.db2.gz QBAPKSFUXMWLLI-OAHLLOKOSA-N 0 1 295.766 2.944 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000840910821 631261160 /nfs/dbraw/zinc/26/11/60/631261160.db2.gz SJSCPVDTAXOWPZ-UONOGXRCSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)OC[C@@H]1C ZINC000840910821 631261163 /nfs/dbraw/zinc/26/11/63/631261163.db2.gz SJSCPVDTAXOWPZ-UONOGXRCSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC000840915020 631262267 /nfs/dbraw/zinc/26/22/67/631262267.db2.gz ZAINBQJPQPMLJJ-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC000840915020 631262272 /nfs/dbraw/zinc/26/22/72/631262272.db2.gz ZAINBQJPQPMLJJ-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840939657 631272789 /nfs/dbraw/zinc/27/27/89/631272789.db2.gz OQIUKAGYJHZKGX-AWEZNQCLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840939657 631272794 /nfs/dbraw/zinc/27/27/94/631272794.db2.gz OQIUKAGYJHZKGX-AWEZNQCLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOCC(F)F)c(Cl)c1 ZINC000840941869 631273562 /nfs/dbraw/zinc/27/35/62/631273562.db2.gz OSZMNBWLFWYHNZ-UHFFFAOYSA-N 0 1 279.714 2.725 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCc2nccnc2C)c(Cl)c1 ZINC000840949581 631276327 /nfs/dbraw/zinc/27/63/27/631276327.db2.gz YMUOKLWAKUBBMJ-UHFFFAOYSA-N 0 1 291.782 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CCCO)c(Cl)c1 ZINC000840949930 631277890 /nfs/dbraw/zinc/27/78/90/631277890.db2.gz CTZMAUKJGQURAB-JTQLQIEISA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC(C)(C)CO)c(Cl)c1 ZINC000840950653 631278815 /nfs/dbraw/zinc/27/88/15/631278815.db2.gz MYDAINLYFKRPDL-UHFFFAOYSA-N 0 1 271.788 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC(C)(C)CO)c(Cl)c1 ZINC000840950653 631278819 /nfs/dbraw/zinc/27/88/19/631278819.db2.gz MYDAINLYFKRPDL-UHFFFAOYSA-N 0 1 271.788 2.804 20 10 CFCDMN CCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)COC1 ZINC000840951075 631279774 /nfs/dbraw/zinc/27/97/74/631279774.db2.gz RKRWZDZGVXPRRZ-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN Cn1ncc2c1CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000840954096 631281527 /nfs/dbraw/zinc/28/15/27/631281527.db2.gz DDZRQZULIGDPPS-UHFFFAOYSA-N 0 1 291.782 2.728 20 10 CFCDMN Cn1ncc2c1CCCN(Cc1c(O)cccc1Cl)C2 ZINC000840954096 631281530 /nfs/dbraw/zinc/28/15/30/631281530.db2.gz DDZRQZULIGDPPS-UHFFFAOYSA-N 0 1 291.782 2.728 20 10 CFCDMN Cn1ncc2c1CCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000840954096 631281537 /nfs/dbraw/zinc/28/15/37/631281537.db2.gz DDZRQZULIGDPPS-UHFFFAOYSA-N 0 1 291.782 2.728 20 10 CFCDMN Cn1ncc2c1CCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000840954096 631281546 /nfs/dbraw/zinc/28/15/46/631281546.db2.gz DDZRQZULIGDPPS-UHFFFAOYSA-N 0 1 291.782 2.728 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000840978683 631292068 /nfs/dbraw/zinc/29/20/68/631292068.db2.gz OZYQEVYOTHBLFS-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)c1O ZINC000840997740 631298042 /nfs/dbraw/zinc/29/80/42/631298042.db2.gz IXUFURXMBXEXDL-HONMWMINSA-N 0 1 293.338 2.749 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)c1O ZINC000840997740 631298048 /nfs/dbraw/zinc/29/80/48/631298048.db2.gz IXUFURXMBXEXDL-HONMWMINSA-N 0 1 293.338 2.749 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1O ZINC000840999362 631299211 /nfs/dbraw/zinc/29/92/11/631299211.db2.gz VDSMIYVLRTXWIY-VIFPVBQESA-N 0 1 271.744 2.507 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207048 631344111 /nfs/dbraw/zinc/34/41/11/631344111.db2.gz CTNNMTBXXIVWEM-GZMMTYOYSA-N 0 1 277.286 2.833 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(F)cc(F)c1[O-] ZINC000810253628 631350871 /nfs/dbraw/zinc/35/08/71/631350871.db2.gz YYZIWWHAUAEZDM-WCBMZHEXSA-N 0 1 293.317 2.602 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)NC(C)(C)C ZINC000841746893 631464027 /nfs/dbraw/zinc/46/40/27/631464027.db2.gz MCIAYEWVCIGJAH-VHSXEESVSA-N 0 1 298.814 2.999 20 10 CFCDMN CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841748656 631464251 /nfs/dbraw/zinc/46/42/51/631464251.db2.gz LUQHNGQRNIFHKH-ZYHUDNBSSA-N 0 1 296.798 2.706 20 10 CFCDMN Cc1noc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841748248 631464416 /nfs/dbraw/zinc/46/44/16/631464416.db2.gz JPACPSJIOMHHBW-MRVPVSSYSA-N 0 1 281.743 2.630 20 10 CFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750985 631465672 /nfs/dbraw/zinc/46/56/72/631465672.db2.gz DNKGXPYYUHBJMY-VZJVUDMVSA-N 0 1 299.798 2.890 20 10 CFCDMN COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752237 631465724 /nfs/dbraw/zinc/46/57/24/631465724.db2.gz RRDKVHQMQKUJRE-MNOVXSKESA-N 0 1 287.787 2.748 20 10 CFCDMN COC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000841753421 631466966 /nfs/dbraw/zinc/46/69/66/631466966.db2.gz ZYQHLBLSSMTVKN-LLVKDONJSA-N 0 1 299.798 2.892 20 10 CFCDMN C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759056 631468096 /nfs/dbraw/zinc/46/80/96/631468096.db2.gz MYSZBNUZGWBASW-WZRBSPASSA-N 0 1 299.798 2.890 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841765419 631469946 /nfs/dbraw/zinc/46/99/46/631469946.db2.gz XXDBSHDXCQIYJH-VIFPVBQESA-N 0 1 265.744 2.928 20 10 CFCDMN CC(C)[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000812290609 631685523 /nfs/dbraw/zinc/68/55/23/631685523.db2.gz HKQBCFIVEOGXBM-AWEZNQCLSA-N 0 1 286.375 2.940 20 10 CFCDMN CC(C)[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000812290609 631685527 /nfs/dbraw/zinc/68/55/27/631685527.db2.gz HKQBCFIVEOGXBM-AWEZNQCLSA-N 0 1 286.375 2.940 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842929738 631784253 /nfs/dbraw/zinc/78/42/53/631784253.db2.gz SWMJXAGPAORZRL-FXPVBKGRSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842929741 631784505 /nfs/dbraw/zinc/78/45/05/631784505.db2.gz SWMJXAGPAORZRL-YWVKMMECSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843051511 631817139 /nfs/dbraw/zinc/81/71/39/631817139.db2.gz JOWREBOYFNJNBL-VHSXEESVSA-N 0 1 286.778 2.744 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[NH2+]CC12CCCCC2 ZINC000843054496 631817304 /nfs/dbraw/zinc/81/73/04/631817304.db2.gz OJWRZWLKMVQJFH-UHFFFAOYSA-N 0 1 278.371 2.639 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000843347204 631933919 /nfs/dbraw/zinc/93/39/19/631933919.db2.gz DJVAAKJXUGMGJN-CYBMUJFWSA-N 0 1 296.798 2.561 20 10 CFCDMN CCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C)C1 ZINC000843422810 631952665 /nfs/dbraw/zinc/95/26/65/631952665.db2.gz SENRWICAZUCJBN-AWEZNQCLSA-N 0 1 282.815 2.962 20 10 CFCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C)C1 ZINC000843422810 631952670 /nfs/dbraw/zinc/95/26/70/631952670.db2.gz SENRWICAZUCJBN-AWEZNQCLSA-N 0 1 282.815 2.962 20 10 CFCDMN COc1cccc(O)c1CN1C[C@H](C)OC2(CCC2)C1 ZINC000843435484 631959267 /nfs/dbraw/zinc/95/92/67/631959267.db2.gz ORCLLFNGLHDAHY-LBPRGKRZSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cnoc2C)cc1 ZINC000844401726 632196097 /nfs/dbraw/zinc/19/60/97/632196097.db2.gz OZHFGGBDNVVADK-UHFFFAOYSA-N 0 1 289.379 2.560 20 10 CFCDMN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)[C@@H](C)CO1 ZINC000844733931 632291782 /nfs/dbraw/zinc/29/17/82/632291782.db2.gz YEQQNMMSLNJUFM-JSGCOSHPSA-N 0 1 279.380 2.709 20 10 CFCDMN CCC[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1O ZINC000816516623 632476584 /nfs/dbraw/zinc/47/65/84/632476584.db2.gz LMEIBURPMUPKKT-MRXNPFEDSA-N 0 1 298.386 2.646 20 10 CFCDMN CCN(CC)C(=O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542753 632480125 /nfs/dbraw/zinc/48/01/25/632480125.db2.gz ZTNYGUKFZAZYQB-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N(C)C ZINC000816563215 632485243 /nfs/dbraw/zinc/48/52/43/632485243.db2.gz OEERQDPOMGETDX-GFCCVEGCSA-N 0 1 258.365 2.585 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000816567069 632486146 /nfs/dbraw/zinc/48/61/46/632486146.db2.gz PMGVHQDYOQARBL-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566532 632486985 /nfs/dbraw/zinc/48/69/85/632486985.db2.gz YELDJVROPNZCDF-GXTWGEPZSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566532 632486987 /nfs/dbraw/zinc/48/69/87/632486987.db2.gz YELDJVROPNZCDF-GXTWGEPZSA-N 0 1 271.360 2.748 20 10 CFCDMN Cn1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816569727 632488109 /nfs/dbraw/zinc/48/81/09/632488109.db2.gz UVAWMULOVRJYMB-UHFFFAOYSA-N 0 1 281.359 2.611 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1(O)CCC1 ZINC000816569173 632488180 /nfs/dbraw/zinc/48/81/80/632488180.db2.gz BLXAZEKCZKBZIY-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1(O)CCC1 ZINC000816569173 632488183 /nfs/dbraw/zinc/48/81/83/632488183.db2.gz BLXAZEKCZKBZIY-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN CC(C)[C@H](CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609841 632493123 /nfs/dbraw/zinc/49/31/23/632493123.db2.gz OLPHRIOMIZRRAH-HNNXBMFYSA-N 0 1 273.376 2.900 20 10 CFCDMN CCN(CC)c1ccc(CN2CC[C@H]2COC)cc1F ZINC000816636837 632498270 /nfs/dbraw/zinc/49/82/70/632498270.db2.gz JHQUIURFJVUSCW-AWEZNQCLSA-N 0 1 280.387 2.893 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000816662313 632507453 /nfs/dbraw/zinc/50/74/53/632507453.db2.gz MHABPFNLJSMSBJ-KRWDZBQOSA-N 0 1 293.407 2.631 20 10 CFCDMN COc1cccc([O-])c1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000816662313 632507456 /nfs/dbraw/zinc/50/74/56/632507456.db2.gz MHABPFNLJSMSBJ-KRWDZBQOSA-N 0 1 293.407 2.631 20 10 CFCDMN COc1cccc([O-])c1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000816662313 632507459 /nfs/dbraw/zinc/50/74/59/632507459.db2.gz MHABPFNLJSMSBJ-KRWDZBQOSA-N 0 1 293.407 2.631 20 10 CFCDMN CN1CCC[C@@H]1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000817417110 632627600 /nfs/dbraw/zinc/62/76/00/632627600.db2.gz DABIGHGAWVBCBK-GFCCVEGCSA-N 0 1 286.778 2.711 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCC[N@@H+]1C ZINC000817417110 632627604 /nfs/dbraw/zinc/62/76/04/632627604.db2.gz DABIGHGAWVBCBK-GFCCVEGCSA-N 0 1 286.778 2.711 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCC[N@H+]1C ZINC000817417110 632627607 /nfs/dbraw/zinc/62/76/07/632627607.db2.gz DABIGHGAWVBCBK-GFCCVEGCSA-N 0 1 286.778 2.711 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)OCC23CCC3)c1 ZINC000846066912 632627813 /nfs/dbraw/zinc/62/78/13/632627813.db2.gz IYDNYKNWMGAYPI-ZDUSSCGKSA-N 0 1 291.391 2.934 20 10 CFCDMN CCN1C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000846096676 632630888 /nfs/dbraw/zinc/63/08/88/632630888.db2.gz JXLVSGGNDINWNI-ZDUSSCGKSA-N 0 1 298.386 2.503 20 10 CFCDMN CN(CC[NH+]1CCCCC1)Cc1c([O-])cccc1Cl ZINC000846114072 632636211 /nfs/dbraw/zinc/63/62/11/632636211.db2.gz GDYRLXWMZKRVOT-UHFFFAOYSA-N 0 1 282.815 2.963 20 10 CFCDMN COc1cccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000846170018 632653266 /nfs/dbraw/zinc/65/32/66/632653266.db2.gz USQSEUIZMNLSEN-NTZNESFSSA-N 0 1 287.363 2.954 20 10 CFCDMN COc1cccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000846170016 632653313 /nfs/dbraw/zinc/65/33/13/632653313.db2.gz USQSEUIZMNLSEN-GVXVVHGQSA-N 0 1 287.363 2.954 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc2ccccc2c1[O-] ZINC000846209306 632660902 /nfs/dbraw/zinc/66/09/02/632660902.db2.gz QFAJTHMPPJMGNS-DGCLKSJQSA-N 0 1 277.339 2.917 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000846273272 632679632 /nfs/dbraw/zinc/67/96/32/632679632.db2.gz VDHZWEXSCQHEED-QGZVFWFLSA-N 0 1 290.407 2.748 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C ZINC000817881993 632717651 /nfs/dbraw/zinc/71/76/51/632717651.db2.gz SYTUKONOHQFOHR-QMTHXVAHSA-N 0 1 277.364 2.552 20 10 CFCDMN CCn1nc(C)c(CN[C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000818346873 632835274 /nfs/dbraw/zinc/83/52/74/632835274.db2.gz VRFMDXTYAYSHQE-GFCCVEGCSA-N 0 1 288.395 2.780 20 10 CFCDMN CN(C)c1ccc(CN[C@H]2CCCn3ccnc32)cc1 ZINC000848520660 633274178 /nfs/dbraw/zinc/27/41/78/633274178.db2.gz QZNVPTUEVLKWER-HNNXBMFYSA-N 0 1 270.380 2.574 20 10 CFCDMN COc1ccc(N2CC[C@@H](NCc3nccs3)C2)cc1 ZINC000850345751 633948070 /nfs/dbraw/zinc/94/80/70/633948070.db2.gz JQHOOIOHNAGFQB-GFCCVEGCSA-N 0 1 289.404 2.520 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C2(CO)CC2)c(Cl)c1 ZINC000850361889 633956131 /nfs/dbraw/zinc/95/61/31/633956131.db2.gz 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VAWSWUXPWOYAKK-MNOVXSKESA-N 0 1 280.799 2.760 20 10 CFCDMN CN(C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000153147441 378477544 /nfs/dbraw/zinc/47/75/44/378477544.db2.gz DXOUAJNQSYEYFB-AWEZNQCLSA-N 0 1 284.403 2.929 20 10 CFCDMN CN(C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000153147441 378477548 /nfs/dbraw/zinc/47/75/48/378477548.db2.gz DXOUAJNQSYEYFB-AWEZNQCLSA-N 0 1 284.403 2.929 20 10 CFCDMN C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163759687 378989504 /nfs/dbraw/zinc/98/95/04/378989504.db2.gz AVYSEONDUQSFRO-BDAKNGLRSA-N 0 1 270.170 2.900 20 10 CFCDMN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168868521 379097852 /nfs/dbraw/zinc/09/78/52/379097852.db2.gz OFPPRBWXYONBRV-JOOBJXAISA-N 0 1 291.416 2.963 20 10 CFCDMN COCCN(Cc1ccc(C)o1)Cc1ccccc1O ZINC000179581185 380561477 /nfs/dbraw/zinc/56/14/77/380561477.db2.gz OIXLBYYEHUEFBK-UHFFFAOYSA-N 0 1 275.348 2.942 20 10 CFCDMN COc1cc(O)c(CN(C)Cc2ccoc2C)cc1OC ZINC000179839583 380585224 /nfs/dbraw/zinc/58/52/24/380585224.db2.gz FQTQNRGJELXTRN-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179749810 380576835 /nfs/dbraw/zinc/57/68/35/380576835.db2.gz BAWMWIDPAWWETD-NSHDSACASA-N 0 1 255.745 2.656 20 10 CFCDMN CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180215302 380633593 /nfs/dbraw/zinc/63/35/93/380633593.db2.gz PCAYMTRDJSYXFE-ZDUSSCGKSA-N 0 1 280.387 2.695 20 10 CFCDMN CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180215302 380633595 /nfs/dbraw/zinc/63/35/95/380633595.db2.gz PCAYMTRDJSYXFE-ZDUSSCGKSA-N 0 1 280.387 2.695 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2ccoc2C)c1 ZINC000179839601 380586377 /nfs/dbraw/zinc/58/63/77/380586377.db2.gz SSYSUFDDYLPVDY-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN COc1cccc(CN2CCOC3(CCCCC3)C2)c1O ZINC000179935659 380599129 /nfs/dbraw/zinc/59/91/29/380599129.db2.gz WRYFFNZBLCCCNF-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)ccc2O)CC(C)(C)O1 ZINC000179982825 380605859 /nfs/dbraw/zinc/60/58/59/380605859.db2.gz FQXQVBXIRIDSDH-JTQLQIEISA-N 0 1 253.317 2.531 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180014806 380608526 /nfs/dbraw/zinc/60/85/26/380608526.db2.gz KEEOGOCTKDAUFE-LBPRGKRZSA-N 0 1 297.782 2.631 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)C(C)(C)C)c1[O-] ZINC000181469100 380798849 /nfs/dbraw/zinc/79/88/49/380798849.db2.gz TUOKQGSLFHYVMR-CQSZACIVSA-N 0 1 297.370 2.621 20 10 CFCDMN C[C@H]1OCCN(Cc2cc(Cl)c(F)cc2O)[C@@H]1C ZINC000295370597 380815022 /nfs/dbraw/zinc/81/50/22/380815022.db2.gz OJRRBMTXKSZBBC-RKDXNWHRSA-N 0 1 273.735 2.794 20 10 CFCDMN COc1ccc(O)c(CN2CCC[C@@](C)(F)C2)c1 ZINC000295596992 380964450 /nfs/dbraw/zinc/96/44/50/380964450.db2.gz CNHZHATTZXGQBF-CQSZACIVSA-N 0 1 253.317 2.725 20 10 CFCDMN Cc1csc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000296101477 381256782 /nfs/dbraw/zinc/25/67/82/381256782.db2.gz UKZIFQYBNXGTDA-LLVKDONJSA-N 0 1 260.362 2.934 20 10 CFCDMN CCOc1cccc(CN(C)Cc2ccncc2)c1O ZINC000183742902 381313159 /nfs/dbraw/zinc/31/31/59/381313159.db2.gz LDAPXERCNCPCSZ-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN Cc1ccc(O)c(CN[C@H](CCO)c2ccco2)c1 ZINC000184506283 381425195 /nfs/dbraw/zinc/42/51/95/381425195.db2.gz STPBBTZJCOHZTH-CYBMUJFWSA-N 0 1 261.321 2.507 20 10 CFCDMN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184981344 381506078 /nfs/dbraw/zinc/50/60/78/381506078.db2.gz VAOCXXHZTGOJJM-SNVBAGLBSA-N 0 1 284.787 2.611 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000184850646 381487439 /nfs/dbraw/zinc/48/74/39/381487439.db2.gz OLQNDLNTAXROIA-GXSJLCMTSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000184866836 381488750 /nfs/dbraw/zinc/48/87/50/381488750.db2.gz ATWKPSOPTMQTLF-GFCCVEGCSA-N 0 1 298.386 2.722 20 10 CFCDMN C[C@@H]([NH2+]CCCn1cccn1)c1cc(Cl)ccc1[O-] ZINC000184956253 381500569 /nfs/dbraw/zinc/50/05/69/381500569.db2.gz POGUXBZGUPCTPB-LLVKDONJSA-N 0 1 279.771 2.983 20 10 CFCDMN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000185113001 381539815 /nfs/dbraw/zinc/53/98/15/381539815.db2.gz FMLYXIZZPBRXAI-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000185332598 381602067 /nfs/dbraw/zinc/60/20/67/381602067.db2.gz BTKGAVIDYLUYIF-SNVBAGLBSA-N 0 1 298.770 2.539 20 10 CFCDMN CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185656752 381696473 /nfs/dbraw/zinc/69/64/73/381696473.db2.gz GCTOQFGOSJDYDU-BXKDBHETSA-N 0 1 257.761 2.713 20 10 CFCDMN O=c1[nH]ccc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000372814395 381873994 /nfs/dbraw/zinc/87/39/94/381873994.db2.gz JPZJUSFRGJYOHR-UHFFFAOYSA-N 0 1 290.750 2.705 20 10 CFCDMN O=c1[nH]ccc2c1C[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000372814395 381874001 /nfs/dbraw/zinc/87/40/01/381874001.db2.gz JPZJUSFRGJYOHR-UHFFFAOYSA-N 0 1 290.750 2.705 20 10 CFCDMN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186353908 381888665 /nfs/dbraw/zinc/88/86/65/381888665.db2.gz RXJVUOAOPJKALI-JTQLQIEISA-N 0 1 298.814 2.859 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373315221 381977848 /nfs/dbraw/zinc/97/78/48/381977848.db2.gz CKMKBCXWHFURMY-AWEZNQCLSA-N 0 1 285.746 2.532 20 10 CFCDMN Cc1cccc(CN[C@@H](CCO)c2ccco2)c1O ZINC000187528684 382203738 /nfs/dbraw/zinc/20/37/38/382203738.db2.gz PXSDQXUZGSJLMV-ZDUSSCGKSA-N 0 1 261.321 2.507 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377237570 382240035 /nfs/dbraw/zinc/24/00/35/382240035.db2.gz IPKVLWITJBEQRC-RYUDHWBXSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377237570 382240040 /nfs/dbraw/zinc/24/00/40/382240040.db2.gz IPKVLWITJBEQRC-RYUDHWBXSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377237570 382240046 /nfs/dbraw/zinc/24/00/46/382240046.db2.gz IPKVLWITJBEQRC-RYUDHWBXSA-N 0 1 281.783 2.904 20 10 CFCDMN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000188131252 382353013 /nfs/dbraw/zinc/35/30/13/382353013.db2.gz ZRUUGYBINRMAFQ-DTWKUNHWSA-N 0 1 288.185 2.840 20 10 CFCDMN COc1ccc(O)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294093401 382412233 /nfs/dbraw/zinc/41/22/33/382412233.db2.gz RPAAVFKDXSZMAI-DLBZAZTESA-N 0 1 289.375 2.544 20 10 CFCDMN Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667044 383425744 /nfs/dbraw/zinc/42/57/44/383425744.db2.gz FUTNSQFPRSRGDW-KGLIPLIRSA-N 0 1 280.799 2.762 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667044 383425747 /nfs/dbraw/zinc/42/57/47/383425747.db2.gz FUTNSQFPRSRGDW-KGLIPLIRSA-N 0 1 280.799 2.762 20 10 CFCDMN Cc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000271162743 385357361 /nfs/dbraw/zinc/35/73/61/385357361.db2.gz BAZRXUCAIRKUHD-UHFFFAOYSA-N 0 1 299.422 2.735 20 10 CFCDMN CC(C)(C)C[N@@H+](CCCO)Cc1ccccc1O ZINC000271454911 385383069 /nfs/dbraw/zinc/38/30/69/385383069.db2.gz VNBOVCXXTISAOT-UHFFFAOYSA-N 0 1 251.370 2.623 20 10 CFCDMN CC(C)(C)C[N@H+](CCCO)Cc1ccccc1[O-] ZINC000271454911 385383071 /nfs/dbraw/zinc/38/30/71/385383071.db2.gz VNBOVCXXTISAOT-UHFFFAOYSA-N 0 1 251.370 2.623 20 10 CFCDMN CC(C)(C)C[N@@H+](CCCO)Cc1ccccc1[O-] ZINC000271454911 385383077 /nfs/dbraw/zinc/38/30/77/385383077.db2.gz VNBOVCXXTISAOT-UHFFFAOYSA-N 0 1 251.370 2.623 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)C(C)(C)C ZINC000271813589 385393930 /nfs/dbraw/zinc/39/39/30/385393930.db2.gz MKQLUOYAKDUYEP-LBPRGKRZSA-N 0 1 271.788 2.884 20 10 CFCDMN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000273790693 385695373 /nfs/dbraw/zinc/69/53/73/385695373.db2.gz UJGOWDNHDJIBGI-ZJUUUORDSA-N 0 1 285.771 2.723 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000376802580 285384761 /nfs/dbraw/zinc/38/47/61/285384761.db2.gz BUQXDYASAAHMLQ-CYBMUJFWSA-N 0 1 297.782 2.821 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000271177758 394017942 /nfs/dbraw/zinc/01/79/42/394017942.db2.gz XTWYGZHOWOOTEE-GFCCVEGCSA-N 0 1 266.360 2.503 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367071995 394251386 /nfs/dbraw/zinc/25/13/86/394251386.db2.gz LSWPMOVCDBZPEV-JOYOIKCWSA-N 0 1 285.746 2.796 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000527956695 394431842 /nfs/dbraw/zinc/43/18/42/394431842.db2.gz OSIUDHKRNTTWJG-CFVMTHIKSA-N 0 1 299.798 2.626 20 10 CFCDMN Cc1nccc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038037687 260124973 /nfs/dbraw/zinc/12/49/73/260124973.db2.gz LSYUCXVXZAONBP-LBPRGKRZSA-N 0 1 270.380 2.702 20 10 CFCDMN CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134904802 287876810 /nfs/dbraw/zinc/87/68/10/287876810.db2.gz BCYUYHDXAMCGJO-PSASIEDQSA-N 0 1 288.185 2.576 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1cc(C)ccc1O ZINC000360021339 277082240 /nfs/dbraw/zinc/08/22/40/277082240.db2.gz VXTMIVOBXMIMBQ-AWEZNQCLSA-N 0 1 277.364 2.618 20 10 CFCDMN CN1CC[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000272540672 290158567 /nfs/dbraw/zinc/15/85/67/290158567.db2.gz BWRXYVPIYIPRTH-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168868606 298910109 /nfs/dbraw/zinc/91/01/09/298910109.db2.gz OFPPRBWXYONBRV-XAAFQQQXSA-N 0 1 291.416 2.963 20 10 CFCDMN CC[C@H]([NH2+]Cc1cnnn1CC)c1cc(Cl)ccc1[O-] ZINC000527918643 330295055 /nfs/dbraw/zinc/29/50/55/330295055.db2.gz CGTUVGCFFMYVBV-ZDUSSCGKSA-N 0 1 294.786 2.898 20 10 CFCDMN CC(C)(C)C[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000227372945 518695329 /nfs/dbraw/zinc/69/53/29/518695329.db2.gz YYFNVSVQQQBKAE-JTQLQIEISA-N 0 1 271.788 2.932 20 10 CFCDMN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230664264 519813981 /nfs/dbraw/zinc/81/39/81/519813981.db2.gz IEWIADJPPPQZNV-GWCFXTLKSA-N 0 1 255.333 2.589 20 10 CFCDMN CCCNC(=O)CCC[N@H+](CCC)Cc1ccccc1[O-] ZINC000299301172 519870858 /nfs/dbraw/zinc/87/08/58/519870858.db2.gz OIXWIEMBZLZTEF-UHFFFAOYSA-N 0 1 292.423 2.911 20 10 CFCDMN CCCNC(=O)CCC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000299301172 519870860 /nfs/dbraw/zinc/87/08/60/519870860.db2.gz OIXWIEMBZLZTEF-UHFFFAOYSA-N 0 1 292.423 2.911 20 10 CFCDMN CCc1nnc([C@H](C)N[C@@H](CC)c2ccccc2O)[nH]1 ZINC000274783152 522454743 /nfs/dbraw/zinc/45/47/43/522454743.db2.gz PPWIMIIMLABMMI-JQWIXIFHSA-N 0 1 274.368 2.875 20 10 CFCDMN COCc1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000125220746 522988903 /nfs/dbraw/zinc/98/89/03/522988903.db2.gz KCXJHUQYOOPUNU-UHFFFAOYSA-N 0 1 274.364 2.782 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCOC1 ZINC000156030382 523156482 /nfs/dbraw/zinc/15/64/82/523156482.db2.gz UQRDAHJYLROCSN-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCOC1 ZINC000156030382 523156490 /nfs/dbraw/zinc/15/64/90/523156490.db2.gz UQRDAHJYLROCSN-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)c(OC)c1 ZINC000293127766 524355100 /nfs/dbraw/zinc/35/51/00/524355100.db2.gz LATOJWFXBNEVBY-UHFFFAOYSA-N 0 1 290.367 2.582 20 10 CFCDMN Cc1ccc(CNCc2ccc3c(c2)CCN3C)o1 ZINC000053036801 524582185 /nfs/dbraw/zinc/58/21/85/524582185.db2.gz ABPAFNWOFABVFM-UHFFFAOYSA-N 0 1 256.349 2.870 20 10 CFCDMN Cc1cc(CN[C@H](C)c2cc(F)ccc2O)on1 ZINC000094618000 524777814 /nfs/dbraw/zinc/77/78/14/524777814.db2.gz PHZAQHASYADERO-SECBINFHSA-N 0 1 250.273 2.679 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000191313495 524980319 /nfs/dbraw/zinc/98/03/19/524980319.db2.gz BNPHNULXUJLXGQ-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@H]([NH2+]CCCCO)c1ccc2ccccc2c1[O-] ZINC000193281502 525336597 /nfs/dbraw/zinc/33/65/97/525336597.db2.gz PMQZWDUCFBHZMS-LBPRGKRZSA-N 0 1 259.349 2.969 20 10 CFCDMN C[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000280958531 525446952 /nfs/dbraw/zinc/44/69/52/525446952.db2.gz KICRTVBCANMGFY-GFCCVEGCSA-N 0 1 280.799 2.958 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000166374919 526328050 /nfs/dbraw/zinc/32/80/50/526328050.db2.gz FSCXSLPWTLEPGD-CQSZACIVSA-N 0 1 278.371 2.592 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361070225 526328252 /nfs/dbraw/zinc/32/82/52/526328252.db2.gz WEIDGMRTPOQXSL-CYBMUJFWSA-N 0 1 275.327 2.565 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000361053151 526328397 /nfs/dbraw/zinc/32/83/97/526328397.db2.gz QEVCTVLVDMVQIS-CQSZACIVSA-N 0 1 288.322 2.580 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCSC1 ZINC000228559089 526364135 /nfs/dbraw/zinc/36/41/35/526364135.db2.gz YTVUYIPXLMYEMA-VIFPVBQESA-N 0 1 257.786 2.888 20 10 CFCDMN Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000365840539 527073133 /nfs/dbraw/zinc/07/31/33/527073133.db2.gz WIGFBBIAJQZDDE-MRXNPFEDSA-N 0 1 299.422 2.906 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C(=O)[O-] ZINC000737494585 574144738 /nfs/dbraw/zinc/14/47/38/574144738.db2.gz WGFXXRQPZKSLIP-UHFFFAOYSA-N 0 1 289.306 2.862 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCO1 ZINC000738060290 574156913 /nfs/dbraw/zinc/15/69/13/574156913.db2.gz DXVIKXAROZIJIJ-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCO1 ZINC000738060290 574156915 /nfs/dbraw/zinc/15/69/15/574156915.db2.gz DXVIKXAROZIJIJ-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CCOc1ccc(CN[C@@H](COC)c2ccco2)c(O)c1 ZINC000747099784 574179939 /nfs/dbraw/zinc/17/99/39/574179939.db2.gz MFHUGAVAABMOGX-AWEZNQCLSA-N 0 1 291.347 2.861 20 10 CFCDMN O=C([O-])CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000739672545 574223229 /nfs/dbraw/zinc/22/32/29/574223229.db2.gz POFIYUWNISBFTN-UHFFFAOYSA-N 0 1 289.331 2.852 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](CCO)CC(C)(C)C)c1[O-] ZINC000748049731 574226440 /nfs/dbraw/zinc/22/64/40/574226440.db2.gz PJFPXMWVBIAJSV-UHFFFAOYSA-N 0 1 297.370 2.574 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](CCO)CC(C)(C)C)c1[O-] ZINC000748049731 574226445 /nfs/dbraw/zinc/22/64/45/574226445.db2.gz PJFPXMWVBIAJSV-UHFFFAOYSA-N 0 1 297.370 2.574 20 10 CFCDMN Cn1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000748098631 574229407 /nfs/dbraw/zinc/22/94/07/574229407.db2.gz KAFXUROAPYAUNN-UHFFFAOYSA-N 0 1 250.729 2.674 20 10 CFCDMN CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756359489 574229385 /nfs/dbraw/zinc/22/93/85/574229385.db2.gz FWSLQCRMMZHODD-JTQLQIEISA-N 0 1 289.734 2.774 20 10 CFCDMN CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756359491 574229540 /nfs/dbraw/zinc/22/95/40/574229540.db2.gz FWSLQCRMMZHODD-SNVBAGLBSA-N 0 1 289.734 2.774 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C(N)=O)c2ccccc2)c1 ZINC000756381128 574231196 /nfs/dbraw/zinc/23/11/96/574231196.db2.gz KNUBQCVMWZNOCK-BLLLJJGKSA-N 0 1 284.359 2.578 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756400330 574234008 /nfs/dbraw/zinc/23/40/08/574234008.db2.gz JXWJGACDZDYCGZ-WDEREUQCSA-N 0 1 296.361 2.805 20 10 CFCDMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000739639451 574244116 /nfs/dbraw/zinc/24/41/16/574244116.db2.gz MPUZQHFYADCVHG-OAHLLOKOSA-N 0 1 289.375 2.710 20 10 CFCDMN CCc1cc(CN[C@@H](C)c2cc(F)ccc2O)on1 ZINC000756608107 574251664 /nfs/dbraw/zinc/25/16/64/574251664.db2.gz QFBKLIKVURMAPX-VIFPVBQESA-N 0 1 264.300 2.933 20 10 CFCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756625697 574253312 /nfs/dbraw/zinc/25/33/12/574253312.db2.gz KWEYSFHBTXXZQT-DMDPSCGWSA-N 0 1 269.360 2.979 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756773620 574261776 /nfs/dbraw/zinc/26/17/76/574261776.db2.gz AERCQBKBCMRWCO-XWIASGKRSA-N 0 1 296.798 2.611 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000756770130 574261895 /nfs/dbraw/zinc/26/18/95/574261895.db2.gz SLMKDRGXJIQKRZ-SKDRFNHKSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H](NCc1ncccc1F)c1cc(F)ccc1O ZINC000756771083 574261879 /nfs/dbraw/zinc/26/18/79/574261879.db2.gz ZUMXSGSKHBUNHV-SECBINFHSA-N 0 1 264.275 2.916 20 10 CFCDMN C[C@@H](NCc1cocn1)c1cc(F)cc(F)c1O ZINC000756833273 574266181 /nfs/dbraw/zinc/26/61/81/574266181.db2.gz WRHDRZQAYDBFPE-SSDOTTSWSA-N 0 1 254.236 2.509 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000734844581 574304193 /nfs/dbraw/zinc/30/41/93/574304193.db2.gz OMKMOQDSPAEQQA-UHFFFAOYSA-N 0 1 278.396 2.829 20 10 CFCDMN CO[C@@H](C)C[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000750825485 574357254 /nfs/dbraw/zinc/35/72/54/574357254.db2.gz DBIKHPAVFHATQH-NSHDSACASA-N 0 1 297.370 2.979 20 10 CFCDMN CO[C@@H](C)C[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000750825485 574357256 /nfs/dbraw/zinc/35/72/56/574357256.db2.gz DBIKHPAVFHATQH-NSHDSACASA-N 0 1 297.370 2.979 20 10 CFCDMN C/C(=C/C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)C(=O)[O-] ZINC000825730073 601219444 /nfs/dbraw/zinc/21/94/44/601219444.db2.gz QSFQMQCGKZIPTJ-UVTDQMKNSA-N 0 1 290.407 2.994 20 10 CFCDMN Cc1ccc(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000230042375 604679393 /nfs/dbraw/zinc/67/93/93/604679393.db2.gz SQHLLKXTWZNWOJ-QEJZJMRPSA-N 0 1 289.375 2.918 20 10 CFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000135046794 605547572 /nfs/dbraw/zinc/54/75/72/605547572.db2.gz XGVUNUDPPZPEMS-CYBMUJFWSA-N 0 1 277.364 2.715 20 10 CFCDMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760224 617838404 /nfs/dbraw/zinc/83/84/04/617838404.db2.gz KVVDUXKTLNMAJA-QWRGUYRKSA-N 0 1 296.798 2.535 20 10 CFCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCO1 ZINC000095015917 617862825 /nfs/dbraw/zinc/86/28/25/617862825.db2.gz GLINVFJCNXZHNA-CYBMUJFWSA-N 0 1 255.745 2.704 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000086809198 618093375 /nfs/dbraw/zinc/09/33/75/618093375.db2.gz LEHWXYQYPLQZOQ-CQSZACIVSA-N 0 1 290.407 2.829 20 10 CFCDMN COC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000307793842 618098077 /nfs/dbraw/zinc/09/80/77/618098077.db2.gz XFEMIZOSGGEHMY-GFCCVEGCSA-N 0 1 253.317 2.532 20 10 CFCDMN COc1cc(Cl)cc(CNCc2ccco2)c1O ZINC000076274227 618204261 /nfs/dbraw/zinc/20/42/61/618204261.db2.gz BYTZPUUFCROCED-UHFFFAOYSA-N 0 1 267.712 2.937 20 10 CFCDMN COC(=O)CN(Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000894066142 618302242 /nfs/dbraw/zinc/30/22/42/618302242.db2.gz ADYYZQSWBICEQY-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN COc1ccc(N2CCN(Cc3cccnc3C)CC2)cc1 ZINC000179530953 618320940 /nfs/dbraw/zinc/32/09/40/618320940.db2.gz UXFLGOHTJBUYFY-UHFFFAOYSA-N 0 1 297.402 2.721 20 10 CFCDMN COc1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000892476910 618338069 /nfs/dbraw/zinc/33/80/69/618338069.db2.gz YSFXUASMXNZXTR-UHFFFAOYSA-N 0 1 260.337 2.644 20 10 CFCDMN Oc1c(Br)cccc1CN1CC[C@H]1C(F)F ZINC000895436843 618584858 /nfs/dbraw/zinc/58/48/58/618584858.db2.gz QAOYXNKSFBYUCK-VIFPVBQESA-N 0 1 292.123 2.994 20 10 CFCDMN Oc1c(Br)cccc1CN1CC[C@@H]1C(F)F ZINC000895436840 618584925 /nfs/dbraw/zinc/58/49/25/618584925.db2.gz QAOYXNKSFBYUCK-SECBINFHSA-N 0 1 292.123 2.994 20 10 CFCDMN O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000236416943 618622055 /nfs/dbraw/zinc/62/20/55/618622055.db2.gz LOAMTLHKEUHQQV-CYBMUJFWSA-N 0 1 281.327 2.751 20 10 CFCDMN Cc1nnc(CNCCCSc2nccs2)s1 ZINC000893045491 618813962 /nfs/dbraw/zinc/81/39/62/618813962.db2.gz RMFSDOBBVZCZFF-UHFFFAOYSA-N 0 1 286.451 2.575 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCOC2)c(Cl)c1 ZINC000840919162 618937758 /nfs/dbraw/zinc/93/77/58/618937758.db2.gz WKPMRELPUZJIOR-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCOC2)c(Cl)c1 ZINC000840919162 618937760 /nfs/dbraw/zinc/93/77/60/618937760.db2.gz WKPMRELPUZJIOR-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)c(Cl)c1 ZINC000840919162 618937761 /nfs/dbraw/zinc/93/77/61/618937761.db2.gz WKPMRELPUZJIOR-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN C[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000092969922 618972188 /nfs/dbraw/zinc/97/21/88/618972188.db2.gz HDOKUUIAHOJXQW-SNVBAGLBSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840942359 619095475 /nfs/dbraw/zinc/09/54/75/619095475.db2.gz ZTFHJCFONRADMT-WDEREUQCSA-N 0 1 269.772 2.605 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000219899413 619108045 /nfs/dbraw/zinc/10/80/45/619108045.db2.gz NSFYYVAAQPPUCW-SKDRFNHKSA-N 0 1 255.745 2.703 20 10 CFCDMN Oc1c(CN2CCO[C@H](CF)C2)ccc2ccccc21 ZINC000840954926 619132925 /nfs/dbraw/zinc/13/29/25/619132925.db2.gz NMFQJKOEPJPRND-CQSZACIVSA-N 0 1 275.323 2.716 20 10 CFCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(F)ccc1O ZINC000226561731 619152447 /nfs/dbraw/zinc/15/24/47/619152447.db2.gz KDROVWYNPRQNFU-GXFFZTMASA-N 0 1 253.317 2.531 20 10 CFCDMN COc1cc(C)cc(CN(C)Cc2ccco2)c1O ZINC000893904053 619238598 /nfs/dbraw/zinc/23/85/98/619238598.db2.gz HXNQYGAMEXXPDT-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN Oc1c(Br)cccc1CNCC(F)F ZINC000147310052 619334144 /nfs/dbraw/zinc/33/41/44/619334144.db2.gz NHTMBIOOIKBWMG-UHFFFAOYSA-N 0 1 266.085 2.509 20 10 CFCDMN COc1ccc(N(C)Cc2cnc[nH]2)cc1Cl ZINC000894430049 619382426 /nfs/dbraw/zinc/38/24/26/619382426.db2.gz WPITZQYDIRNHGR-UHFFFAOYSA-N 0 1 251.717 2.708 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1cc(F)cc(F)c1O ZINC000894433492 619383762 /nfs/dbraw/zinc/38/37/62/619383762.db2.gz PAPIQKNHYFEKJB-ZDUSSCGKSA-N 0 1 299.317 2.588 20 10 CFCDMN CCOC(=O)CN(Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894473776 619395203 /nfs/dbraw/zinc/39/52/03/619395203.db2.gz DRCVJUXBJUTZOS-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN C[C@H]1COC(C)(C)CN1Cc1cc(F)cc(F)c1O ZINC000894560561 619416343 /nfs/dbraw/zinc/41/63/43/619416343.db2.gz ZQCGPWXPRWURRO-VIFPVBQESA-N 0 1 271.307 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cn(C)cn1 ZINC000925078474 619447443 /nfs/dbraw/zinc/44/74/43/619447443.db2.gz GWQRUKAAOXHZSJ-CYBMUJFWSA-N 0 1 272.396 2.645 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894902004 619507180 /nfs/dbraw/zinc/50/71/80/619507180.db2.gz IGTTTYFDJQEKTB-ZANVPECISA-N 0 1 271.307 2.527 20 10 CFCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000896491822 619745150 /nfs/dbraw/zinc/74/51/50/619745150.db2.gz BMZHHCSIAYBIPK-CYBMUJFWSA-N 0 1 271.364 2.505 20 10 CFCDMN Cc1cc(CC[NH2+]Cc2ccc3ccccc3c2[O-])nn1C ZINC000896820086 619829588 /nfs/dbraw/zinc/82/95/88/619829588.db2.gz ZLOUFGGBZIYHHE-UHFFFAOYSA-N 0 1 295.386 2.920 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997418 620114785 /nfs/dbraw/zinc/11/47/85/620114785.db2.gz HDBMKAXXAKWKPU-INIZCTEOSA-N 0 1 290.407 2.972 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841743078 620178138 /nfs/dbraw/zinc/17/81/38/620178138.db2.gz CATNXMGMLBCOHB-KOLCDFICSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000897684283 620271140 /nfs/dbraw/zinc/27/11/40/620271140.db2.gz LZWOIOCDGIXUJL-ACJLOTCBSA-N 0 1 283.371 2.872 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]Cc2cnn(CCF)c2)c(Cl)c1 ZINC000897731615 620280541 /nfs/dbraw/zinc/28/05/41/620280541.db2.gz BSKOBZQEQJHPMV-UHFFFAOYSA-N 0 1 297.761 2.810 20 10 CFCDMN Oc1ccccc1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167434 620342133 /nfs/dbraw/zinc/34/21/33/620342133.db2.gz DNGLDFPPAKSEAP-HNNXBMFYSA-N 0 1 295.386 2.772 20 10 CFCDMN C[C@@H](NCc1nc2c(s1)COCC2)c1ccccc1O ZINC000927122074 620456015 /nfs/dbraw/zinc/45/60/15/620456015.db2.gz RIIHWZCBLPXJRV-SNVBAGLBSA-N 0 1 290.388 2.772 20 10 CFCDMN CC(C)OC(=O)C(C)(C)NCc1cccc(Cl)c1O ZINC000898507591 620472435 /nfs/dbraw/zinc/47/24/35/620472435.db2.gz WKRPQOQOBPUSRM-UHFFFAOYSA-N 0 1 285.771 2.865 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000927146579 620492670 /nfs/dbraw/zinc/49/26/70/620492670.db2.gz FTRHUAUQDRRWJK-IRUJWGPZSA-N 0 1 269.772 2.857 20 10 CFCDMN COc1cc(C)cc(CN2CCOC[C@@H]2CC2CC2)c1O ZINC000902540700 621114236 /nfs/dbraw/zinc/11/42/36/621114236.db2.gz YMKWXWCFEWTUIV-HNNXBMFYSA-N 0 1 291.391 2.710 20 10 CFCDMN CCc1cc(C[N@H+]2CC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629996 621138970 /nfs/dbraw/zinc/13/89/70/621138970.db2.gz LXSXUJDSFROVNQ-AWEZNQCLSA-N 0 1 277.408 2.819 20 10 CFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000903128524 621262713 /nfs/dbraw/zinc/26/27/13/621262713.db2.gz AXAVBWQJNXNQMW-FOGDFJRCSA-N 0 1 281.327 2.524 20 10 CFCDMN CCN(C)c1ccc([C@@H](C)NCc2cn(C)cn2)cc1 ZINC000903351460 621343818 /nfs/dbraw/zinc/34/38/18/621343818.db2.gz LLVYVAQKNRNRLE-CYBMUJFWSA-N 0 1 272.396 2.727 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC[C@H]1CCCS1 ZINC000905044066 621685369 /nfs/dbraw/zinc/68/53/69/621685369.db2.gz MURCHCLOINTSDM-LLVKDONJSA-N 0 1 299.827 2.555 20 10 CFCDMN COc1cc(C)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000164206562 622941836 /nfs/dbraw/zinc/94/18/36/622941836.db2.gz BMGXDMJENRSNER-GFCCVEGCSA-N 0 1 279.380 2.709 20 10 CFCDMN C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1O ZINC000157652155 623043989 /nfs/dbraw/zinc/04/39/89/623043989.db2.gz VVICQYPDAIUQFK-MDZLAQPJSA-N 0 1 266.360 2.665 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)CN1CCCC1 ZINC000822756992 623167918 /nfs/dbraw/zinc/16/79/18/623167918.db2.gz LQTQIUUVAIRERL-UHFFFAOYSA-N 0 1 290.407 2.617 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1ccncc1F ZINC000823850904 623404991 /nfs/dbraw/zinc/40/49/91/623404991.db2.gz GAVVMVLVNBPCBK-UHFFFAOYSA-N 0 1 273.355 2.885 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000824636259 623536111 /nfs/dbraw/zinc/53/61/11/623536111.db2.gz NLMYYWWTQIASIM-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000824636259 623536113 /nfs/dbraw/zinc/53/61/13/623536113.db2.gz NLMYYWWTQIASIM-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635844 623536404 /nfs/dbraw/zinc/53/64/04/623536404.db2.gz JOKVYNOXXBRARW-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637177 623537720 /nfs/dbraw/zinc/53/77/20/623537720.db2.gz WMYHPICHFNNORV-DGCLKSJQSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795082 623567053 /nfs/dbraw/zinc/56/70/53/623567053.db2.gz PANMEDNRJXQBBT-UHFFFAOYSA-N 0 1 287.762 2.902 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824902415 623585088 /nfs/dbraw/zinc/58/50/88/623585088.db2.gz WFJBUADULXADLA-OAHLLOKOSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824902415 623585098 /nfs/dbraw/zinc/58/50/98/623585098.db2.gz WFJBUADULXADLA-OAHLLOKOSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824902415 623585102 /nfs/dbraw/zinc/58/51/02/623585102.db2.gz WFJBUADULXADLA-OAHLLOKOSA-N 0 1 297.782 2.739 20 10 CFCDMN CC[C@H]1CN(CC)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000825005101 623603807 /nfs/dbraw/zinc/60/38/07/623603807.db2.gz DCBVJULFDPEPFU-ZDUSSCGKSA-N 0 1 282.815 2.962 20 10 CFCDMN CC[C@H]1CN(CC)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000825005101 623603811 /nfs/dbraw/zinc/60/38/11/623603811.db2.gz DCBVJULFDPEPFU-ZDUSSCGKSA-N 0 1 282.815 2.962 20 10 CFCDMN Cc1cccc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016303 623607202 /nfs/dbraw/zinc/60/72/02/623607202.db2.gz AHLXQWKNYZALML-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1cc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)cc1C ZINC000825024950 623609477 /nfs/dbraw/zinc/60/94/77/623609477.db2.gz WTBMPQQJTLWXQW-HXUWFJFHSA-N 0 1 295.448 2.742 20 10 CFCDMN COC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825038012 623613377 /nfs/dbraw/zinc/61/33/77/623613377.db2.gz NLUUQEFKGUPEQC-UHFFFAOYSA-N 0 1 285.771 2.643 20 10 CFCDMN CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825038286 623613535 /nfs/dbraw/zinc/61/35/35/623613535.db2.gz WWHQWLHJQCAGJN-ZDUSSCGKSA-N 0 1 282.815 2.928 20 10 CFCDMN CC(C)OC(=O)[C@H](C)NCc1cc(Cl)c(F)cc1O ZINC000825117700 623633599 /nfs/dbraw/zinc/63/35/99/623633599.db2.gz KBOMZVGISFVPGO-QMMMGPOBSA-N 0 1 289.734 2.614 20 10 CFCDMN COc1cccc(O)c1CNc1ccc2c(n1)CCC2 ZINC000825124547 623635324 /nfs/dbraw/zinc/63/53/24/623635324.db2.gz SBKZORBNSKDKSN-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)CC(C)C)cc1Cl ZINC000825167897 623642272 /nfs/dbraw/zinc/64/22/72/623642272.db2.gz SMKYWLFZKPORRW-GFCCVEGCSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(O)CCCC2)cc1Cl ZINC000825278426 623663306 /nfs/dbraw/zinc/66/33/06/623663306.db2.gz MCMIPTQBFAHXNB-UHFFFAOYSA-N 0 1 269.772 2.749 20 10 CFCDMN CC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297977 623665795 /nfs/dbraw/zinc/66/57/95/623665795.db2.gz RGLSVVXCMAQPPX-NSHDSACASA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)C2CC2)cc1Cl ZINC000825303497 623667171 /nfs/dbraw/zinc/66/71/71/623667171.db2.gz IKAZPDQPLSCXMK-CYBMUJFWSA-N 0 1 269.772 2.605 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338288 623676584 /nfs/dbraw/zinc/67/65/84/623676584.db2.gz NYQLZXZIXDVVBE-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCCO)cc1Cl ZINC000825364757 623680886 /nfs/dbraw/zinc/68/08/86/623680886.db2.gz BJGGTVNYYALKQI-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC(F)(F)F)cc1Cl ZINC000825391342 623685128 /nfs/dbraw/zinc/68/51/28/623685128.db2.gz UCOZJIYGOXNEQQ-VIFPVBQESA-N 0 1 297.704 2.757 20 10 CFCDMN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825421953 623690319 /nfs/dbraw/zinc/69/03/19/623690319.db2.gz IWAMENOIDAFUNA-QWRGUYRKSA-N 0 1 298.814 2.747 20 10 CFCDMN CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825421955 623690680 /nfs/dbraw/zinc/69/06/80/623690680.db2.gz IWAMENOIDAFUNA-WDEREUQCSA-N 0 1 298.814 2.747 20 10 CFCDMN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825536906 623710849 /nfs/dbraw/zinc/71/08/49/623710849.db2.gz OPTVXOOAAWKTBL-PCAWENJQSA-N 0 1 269.772 2.771 20 10 CFCDMN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825537348 623711016 /nfs/dbraw/zinc/71/10/16/623711016.db2.gz WICFWUHHUWXQEV-UHFFFAOYSA-N 0 1 297.782 2.787 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)cc1Cl ZINC000825566882 623716679 /nfs/dbraw/zinc/71/66/79/623716679.db2.gz BDDGHETUZRDAES-STQMWFEESA-N 0 1 269.772 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)cc1Cl ZINC000825704527 623743407 /nfs/dbraw/zinc/74/34/07/623743407.db2.gz SRFKSHKFZAAOLF-GWCFXTLKSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)C(C)C)cc1Cl ZINC000825900770 623768054 /nfs/dbraw/zinc/76/80/54/623768054.db2.gz QPRFDXKGZRWXSX-LBPRGKRZSA-N 0 1 271.788 2.708 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@H](O)C2CC2)cc1Cl ZINC000825928074 623770301 /nfs/dbraw/zinc/77/03/01/623770301.db2.gz LYJGZQNEEJQOQG-AWEZNQCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)C2CC2)cc1Cl ZINC000825928074 623770303 /nfs/dbraw/zinc/77/03/03/623770303.db2.gz LYJGZQNEEJQOQG-AWEZNQCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)C2CC2)cc1Cl ZINC000825928074 623770306 /nfs/dbraw/zinc/77/03/06/623770306.db2.gz LYJGZQNEEJQOQG-AWEZNQCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc(O)c(CN(C(C)C)C2COC2)cc1Cl ZINC000826030201 623784843 /nfs/dbraw/zinc/78/48/43/623784843.db2.gz SDFPJZXPVOUHSN-UHFFFAOYSA-N 0 1 269.772 2.963 20 10 CFCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826030206 623784933 /nfs/dbraw/zinc/78/49/33/623784933.db2.gz SGKSHZPNKAQAIA-LLVKDONJSA-N 0 1 257.761 2.557 20 10 CFCDMN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826030206 623784939 /nfs/dbraw/zinc/78/49/39/623784939.db2.gz SGKSHZPNKAQAIA-LLVKDONJSA-N 0 1 257.761 2.557 20 10 CFCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826030206 623784945 /nfs/dbraw/zinc/78/49/45/623784945.db2.gz SGKSHZPNKAQAIA-LLVKDONJSA-N 0 1 257.761 2.557 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](C)O ZINC000826065233 623788679 /nfs/dbraw/zinc/78/86/79/623788679.db2.gz VMMRGJVEBNQQAE-JOYOIKCWSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COCC2(C)C)cc1Cl ZINC000826089627 623792786 /nfs/dbraw/zinc/79/27/86/623792786.db2.gz LVEWXBSMCSNCPO-CYBMUJFWSA-N 0 1 269.772 2.869 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433759 623848685 /nfs/dbraw/zinc/84/86/85/623848685.db2.gz WDEPRWLYARLNSQ-YPMHNXCESA-N 0 1 267.756 2.560 20 10 CFCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cnc[nH]2)cc1 ZINC000826768555 623870127 /nfs/dbraw/zinc/87/01/27/623870127.db2.gz CKYCXIYBVCTZLO-SNAWJCMRSA-N 0 1 270.380 2.621 20 10 CFCDMN CCOc1ccc(CN2CCO[C@@](C)(C3CC3)C2)c(O)c1 ZINC000826877950 623901040 /nfs/dbraw/zinc/90/10/40/623901040.db2.gz OWJRKSHRSVNIBI-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)CC1=CCCOC1 ZINC000827189780 623961850 /nfs/dbraw/zinc/96/18/50/623961850.db2.gz NYYGVYVQSIXLHJ-UHFFFAOYSA-N 0 1 285.746 2.963 20 10 CFCDMN CCCN1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000827518997 624021601 /nfs/dbraw/zinc/02/16/01/624021601.db2.gz HIWRBKUCBJVCLV-CYBMUJFWSA-N 0 1 282.815 2.928 20 10 CFCDMN C[C@H]([NH2+]CC1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000154739988 624442309 /nfs/dbraw/zinc/44/23/09/624442309.db2.gz YGMPCUMKQOFVSR-LBPRGKRZSA-N 0 1 271.360 2.969 20 10 CFCDMN Cc1n[nH]cc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000180330843 625016842 /nfs/dbraw/zinc/01/68/42/625016842.db2.gz IWKGBRJQMYGRGM-JTQLQIEISA-N 0 1 276.359 2.774 20 10 CFCDMN CCc1nc(CN(CC2CC2)c2ccc(OC)cc2)n[nH]1 ZINC000831587506 625061234 /nfs/dbraw/zinc/06/12/34/625061234.db2.gz BYRJZDWRXMJNQI-UHFFFAOYSA-N 0 1 286.379 2.792 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646992 625945818 /nfs/dbraw/zinc/94/58/18/625945818.db2.gz LZLNUDMNPGCOBT-YUMQZZPRSA-N 0 1 270.716 2.794 20 10 CFCDMN Cc1noc(C)c1CNCc1ccc2c(c1)CCCO2 ZINC000921591185 625990671 /nfs/dbraw/zinc/99/06/71/625990671.db2.gz FOXQSWRIUSPMNG-UHFFFAOYSA-N 0 1 272.348 2.906 20 10 CFCDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)ccc1N(C)C ZINC000851706861 634479505 /nfs/dbraw/zinc/47/95/05/634479505.db2.gz KBQOZAUWVVQWCC-UHFFFAOYSA-N 0 1 276.380 2.500 20 10 CFCDMN CCN(CC)c1ccc(CNCC2OCCCO2)cc1F ZINC000922276412 626257580 /nfs/dbraw/zinc/25/75/80/626257580.db2.gz GDYCAWFSYHSNGK-UHFFFAOYSA-N 0 1 296.386 2.525 20 10 CFCDMN Fc1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000922308207 626265468 /nfs/dbraw/zinc/26/54/68/626265468.db2.gz PIJIAEJCHXIXJN-UHFFFAOYSA-N 0 1 272.323 2.836 20 10 CFCDMN Cn1nc(C2CC2)cc1CNCc1ccc2c(c1)CCCO2 ZINC000922948639 626430973 /nfs/dbraw/zinc/43/09/73/626430973.db2.gz ZMDIJRHOSYKWAD-UHFFFAOYSA-N 0 1 297.402 2.912 20 10 CFCDMN Cc1ccc(O)c(CNCc2cc(C3CC3)n(C)n2)c1 ZINC000922957343 626432801 /nfs/dbraw/zinc/43/28/01/626432801.db2.gz SPNNHJHEEIPMTG-UHFFFAOYSA-N 0 1 271.364 2.601 20 10 CFCDMN CCOC(=O)CC(C)(C)C[N@H+](C)Cc1ccccc1[O-] ZINC000838799995 626505735 /nfs/dbraw/zinc/50/57/35/626505735.db2.gz KPLCWKFEGHIZIN-UHFFFAOYSA-N 0 1 279.380 2.803 20 10 CFCDMN CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000838799995 626505736 /nfs/dbraw/zinc/50/57/36/626505736.db2.gz KPLCWKFEGHIZIN-UHFFFAOYSA-N 0 1 279.380 2.803 20 10 CFCDMN COc1cc(Cl)cc(CN2CC3(C2)CCOCC3)c1O ZINC000839141762 626528464 /nfs/dbraw/zinc/52/84/64/626528464.db2.gz ZEFLBVDKVGIZDP-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN Oc1c(Br)cccc1CN1CC(C(F)F)C1 ZINC000839141477 626528615 /nfs/dbraw/zinc/52/86/15/626528615.db2.gz QGPGXIXNMCTZJO-UHFFFAOYSA-N 0 1 292.123 2.852 20 10 CFCDMN Cc1cc(O)c(CNCc2nnc(C(C)(C)C)[nH]2)cc1C ZINC000839168252 626529223 /nfs/dbraw/zinc/52/92/23/626529223.db2.gz CZSIVAVARNZSIL-UHFFFAOYSA-N 0 1 288.395 2.714 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000839193068 626530847 /nfs/dbraw/zinc/53/08/47/626530847.db2.gz YEFRVBNQUGVKDO-QWRGUYRKSA-N 0 1 275.352 2.546 20 10 CFCDMN CCN(Cc1ccc(N2CCN(C)CC2)cc1)CC(F)F ZINC000757938331 626568877 /nfs/dbraw/zinc/56/88/77/626568877.db2.gz DTAGBVFUEQDLOY-UHFFFAOYSA-N 0 1 297.393 2.525 20 10 CFCDMN COc1cccc(CNCc2c(F)cccc2F)c1O ZINC000761973276 626876176 /nfs/dbraw/zinc/87/61/76/626876176.db2.gz KXBHUYBXDBZHQD-UHFFFAOYSA-N 0 1 279.286 2.969 20 10 CFCDMN C[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1[O-] ZINC000762650682 626928225 /nfs/dbraw/zinc/92/82/25/626928225.db2.gz RDLMCOAEHKPMEU-GRZMOONWSA-N 0 1 269.772 2.857 20 10 CFCDMN CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCOC1 ZINC000763573466 626998659 /nfs/dbraw/zinc/99/86/59/626998659.db2.gz SHKIVNPEXSCHKX-YGRLFVJLSA-N 0 1 285.771 2.502 20 10 CFCDMN Cc1cccc2c1CCN2C(=O)c1c(F)ccc(O)c1O ZINC000764466945 627063008 /nfs/dbraw/zinc/06/30/08/627063008.db2.gz XVVOIEBTSIODJA-UHFFFAOYSA-N 0 1 287.290 2.748 20 10 CFCDMN CCN(CC)c1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000768208454 627326415 /nfs/dbraw/zinc/32/64/15/627326415.db2.gz QJZVYXQEJCCSDW-UHFFFAOYSA-N 0 1 272.396 2.888 20 10 CFCDMN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768441396 627342979 /nfs/dbraw/zinc/34/29/79/627342979.db2.gz KWYWFOKHMMCGDM-KFNAQCHYSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768441396 627342980 /nfs/dbraw/zinc/34/29/80/627342980.db2.gz KWYWFOKHMMCGDM-KFNAQCHYSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]([N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000768440543 627343135 /nfs/dbraw/zinc/34/31/35/627343135.db2.gz FNSSWJPYGWHYQG-QMTHXVAHSA-N 0 1 279.380 2.684 20 10 CFCDMN C[C@@H]([N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000768440543 627343136 /nfs/dbraw/zinc/34/31/36/627343136.db2.gz FNSSWJPYGWHYQG-QMTHXVAHSA-N 0 1 279.380 2.684 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000769389672 627433215 /nfs/dbraw/zinc/43/32/15/627433215.db2.gz LXDWTPCQQKUOKV-LBPRGKRZSA-N 0 1 273.332 2.983 20 10 CFCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769514305 627449837 /nfs/dbraw/zinc/44/98/37/627449837.db2.gz IYGZDMJXFKVSBT-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769514305 627449838 /nfs/dbraw/zinc/44/98/38/627449838.db2.gz IYGZDMJXFKVSBT-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769514305 627449839 /nfs/dbraw/zinc/44/98/39/627449839.db2.gz IYGZDMJXFKVSBT-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN COc1ccc(CN[C@@H](CO)c2ccsc2)cc1C ZINC000769935111 627488881 /nfs/dbraw/zinc/48/88/81/627488881.db2.gz RAMYRULCQCNUBS-AWEZNQCLSA-N 0 1 277.389 2.888 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@@H](C(C)C)C2)cc1 ZINC000773831294 627861664 /nfs/dbraw/zinc/86/16/64/627861664.db2.gz ISMAHIOMORSHBR-QGZVFWFLSA-N 0 1 276.424 3.000 20 10 CFCDMN CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775482848 628029255 /nfs/dbraw/zinc/02/92/55/628029255.db2.gz DFZZINSXVNMYRA-CYBMUJFWSA-N 0 1 296.798 2.613 20 10 CFCDMN CC[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775482792 628029478 /nfs/dbraw/zinc/02/94/78/628029478.db2.gz BBHIAVNMJKIAIX-PWSUYJOCSA-N 0 1 257.761 2.857 20 10 CFCDMN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775484864 628030336 /nfs/dbraw/zinc/03/03/36/628030336.db2.gz KLOUQHPNIIRFNT-SKDRFNHKSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775500022 628032280 /nfs/dbraw/zinc/03/22/80/628032280.db2.gz LWMHVEUNCIBXTN-GFCCVEGCSA-N 0 1 284.787 2.565 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775523207 628034076 /nfs/dbraw/zinc/03/40/76/628034076.db2.gz FFGZEQWAUPUPON-JQWIXIFHSA-N 0 1 255.745 2.875 20 10 CFCDMN CC[C@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1[O-] ZINC000775532572 628034448 /nfs/dbraw/zinc/03/44/48/628034448.db2.gz GRMHHUCRLNBFHR-ZDUSSCGKSA-N 0 1 294.786 2.768 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000775654214 628050328 /nfs/dbraw/zinc/05/03/28/628050328.db2.gz VHUQAESSCSLWBY-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)Cc2cn[nH]c2)c1O ZINC000775700041 628056320 /nfs/dbraw/zinc/05/63/20/628056320.db2.gz LASRSSKBIWKYCV-UHFFFAOYSA-N 0 1 265.744 2.709 20 10 CFCDMN CCn1cc(CN(C)Cc2cccc(C)c2O)cn1 ZINC000775700015 628057208 /nfs/dbraw/zinc/05/72/08/628057208.db2.gz KJDXKYBCWBHAKB-UHFFFAOYSA-N 0 1 259.353 2.549 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000775729708 628060225 /nfs/dbraw/zinc/06/02/25/628060225.db2.gz WPEKORNGVKEYQF-AWEZNQCLSA-N 0 1 285.746 2.797 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCC[C@H]1O ZINC000775735872 628060261 /nfs/dbraw/zinc/06/02/61/628060261.db2.gz DQLDYFMAACAHQZ-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000777219177 628208862 /nfs/dbraw/zinc/20/88/62/628208862.db2.gz HTOOJOREVHBLSL-JTQLQIEISA-N 0 1 298.814 2.781 20 10 CFCDMN COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000777441108 628226091 /nfs/dbraw/zinc/22/60/91/628226091.db2.gz OQNZZPJZQMLOBN-UHFFFAOYSA-N 0 1 283.755 2.621 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000777967486 628269227 /nfs/dbraw/zinc/26/92/27/628269227.db2.gz IXPAGVXQCQLZCS-OAHLLOKOSA-N 0 1 279.380 2.566 20 10 CFCDMN COc1cc(CN2CC[C@H](C)[C@H](F)C2)c(O)cc1C ZINC000777969468 628269290 /nfs/dbraw/zinc/26/92/90/628269290.db2.gz SOARBLUUZGLWII-GXFFZTMASA-N 0 1 267.344 2.889 20 10 CFCDMN C[C@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1F ZINC000779148297 628355481 /nfs/dbraw/zinc/35/54/81/628355481.db2.gz HQOOPNMCXXJCBF-SWLSCSKDSA-N 0 1 250.361 2.933 20 10 CFCDMN CCOc1cccc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779147704 628355580 /nfs/dbraw/zinc/35/55/80/628355580.db2.gz BYYHOHMURYFMJJ-AAEUAGOBSA-N 0 1 267.344 2.971 20 10 CFCDMN CCOc1ccc(CN2CC[C@H](C)[C@@H](F)C2)c(O)c1 ZINC000779149673 628355866 /nfs/dbraw/zinc/35/58/66/628355866.db2.gz OCTBLLNPBBHYCT-FZMZJTMJSA-N 0 1 267.344 2.971 20 10 CFCDMN COc1ccc2c(c1)CCCN2Cc1cn[nH]c1C ZINC000780767200 628495788 /nfs/dbraw/zinc/49/57/88/628495788.db2.gz RBCPYXKAEIWIBF-UHFFFAOYSA-N 0 1 257.337 2.680 20 10 CFCDMN CO[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C ZINC000783966737 628758265 /nfs/dbraw/zinc/75/82/65/628758265.db2.gz BOPIICAIQSAXCJ-SJKOYZFVSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C ZINC000783966737 628758268 /nfs/dbraw/zinc/75/82/68/628758268.db2.gz BOPIICAIQSAXCJ-SJKOYZFVSA-N 0 1 286.375 2.797 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000788981500 629113365 /nfs/dbraw/zinc/11/33/65/629113365.db2.gz CUWSJDUYMLBOCX-MFKMUULPSA-N 0 1 298.814 2.953 20 10 CFCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1ccc(F)cc1 ZINC000789927748 629197992 /nfs/dbraw/zinc/19/79/92/629197992.db2.gz PNLUQCSRFTZMIU-UHFFFAOYSA-N 0 1 299.309 2.604 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793255801 629515041 /nfs/dbraw/zinc/51/50/41/629515041.db2.gz CDJTYWNSGCCRJK-SNVBAGLBSA-N 0 1 267.756 2.514 20 10 CFCDMN CO[C@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000794653864 629671608 /nfs/dbraw/zinc/67/16/08/629671608.db2.gz GBOSKNAVJSHTFJ-QGZVFWFLSA-N 0 1 286.375 2.941 20 10 CFCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000794653864 629671611 /nfs/dbraw/zinc/67/16/11/629671611.db2.gz GBOSKNAVJSHTFJ-QGZVFWFLSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[C@H](NCc1cc(C(N)=O)co1)c1ccc(C)cc1O ZINC000794817676 629690563 /nfs/dbraw/zinc/69/05/63/629690563.db2.gz USHBMANSUOPRTB-AWEZNQCLSA-N 0 1 288.347 2.633 20 10 CFCDMN C[C@H](NCc1cccnc1F)c1cc(F)ccc1O ZINC000794836598 629692455 /nfs/dbraw/zinc/69/24/55/629692455.db2.gz RCKMWMJRURMTBU-VIFPVBQESA-N 0 1 264.275 2.916 20 10 CFCDMN OC[C@]1(F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802661720 630536375 /nfs/dbraw/zinc/53/63/75/630536375.db2.gz WVISBWOHKRBWPP-KRWDZBQOSA-N 0 1 292.398 2.583 20 10 CFCDMN CCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599442 630820841 /nfs/dbraw/zinc/82/08/41/630820841.db2.gz SDJAFDKODTVTIZ-UHFFFAOYSA-N 0 1 279.192 2.683 20 10 CFCDMN C[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838354 630912863 /nfs/dbraw/zinc/91/28/63/630912863.db2.gz POQILFDGZFLBIE-HZGVNTEJSA-N 0 1 274.147 2.971 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnco1 ZINC000807840266 630913014 /nfs/dbraw/zinc/91/30/14/630913014.db2.gz WGCXXZUBZMNVQE-UHFFFAOYSA-N 0 1 287.102 2.617 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)NCc2nccn2C)c1O ZINC000808690543 631029048 /nfs/dbraw/zinc/02/90/48/631029048.db2.gz LOEIVTMXRIDIRR-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@@H](C3CCC3)C2)c1O ZINC000840175379 631225454 /nfs/dbraw/zinc/22/54/54/631225454.db2.gz ISFVJRNUXGZGRG-MRXNPFEDSA-N 0 1 291.391 2.710 20 10 CFCDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(F)ccc1O ZINC000840816499 631230548 /nfs/dbraw/zinc/23/05/48/631230548.db2.gz OJTANKLGCMQNFC-ZJUUUORDSA-N 0 1 263.316 2.677 20 10 CFCDMN CCn1ccc(CN[C@H](C)c2ccc(C)cc2O)n1 ZINC000840840020 631236951 /nfs/dbraw/zinc/23/69/51/631236951.db2.gz DPWIRXOTPUASKH-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN C[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)c1csnn1 ZINC000840886078 631250772 /nfs/dbraw/zinc/25/07/72/631250772.db2.gz NFEREBXDXGHUKG-RNFRBKRXSA-N 0 1 285.319 2.934 20 10 CFCDMN CCn1ccnc1NCc1ccc(N(C)C)cc1C ZINC000840887168 631251747 /nfs/dbraw/zinc/25/17/47/631251747.db2.gz FVEDCKSSIZKMDU-UHFFFAOYSA-N 0 1 258.369 2.890 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)C[C@@H](C)O)c(Cl)c1 ZINC000840898869 631255223 /nfs/dbraw/zinc/25/52/23/631255223.db2.gz GTSXLPJITKNOAW-WDEREUQCSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCNc2ccccn2)c(Cl)c1 ZINC000840899349 631255833 /nfs/dbraw/zinc/25/58/33/631255833.db2.gz KUBJASQVPDUTFM-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900438 631256524 /nfs/dbraw/zinc/25/65/24/631256524.db2.gz RYKDLFATGGGGAT-RNCFNFMXSA-N 0 1 289.828 2.556 20 10 CFCDMN CS[C@@H](CO)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900440 631256759 /nfs/dbraw/zinc/25/67/59/631256759.db2.gz RYKDLFATGGGGAT-ZANVPECISA-N 0 1 289.828 2.556 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCO[C@@H]2CCOC2)c(Cl)c1 ZINC000840905281 631257551 /nfs/dbraw/zinc/25/75/51/631257551.db2.gz QEVRYJZVMMKWSG-GFCCVEGCSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C)[C@@H]1C ZINC000840916006 631262285 /nfs/dbraw/zinc/26/22/85/631262285.db2.gz VMJWUJSQIWZNKA-KBPBESRZSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840939658 631271623 /nfs/dbraw/zinc/27/16/23/631271623.db2.gz OQIUKAGYJHZKGX-CQSZACIVSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840939658 631271632 /nfs/dbraw/zinc/27/16/32/631271632.db2.gz OQIUKAGYJHZKGX-CQSZACIVSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)c(Cl)c1 ZINC000840949703 631277580 /nfs/dbraw/zinc/27/75/80/631277580.db2.gz ANQFHBRKRYUHNN-JTQLQIEISA-N 0 1 271.788 2.993 20 10 CFCDMN COC[C@@H]1CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840948614 631278005 /nfs/dbraw/zinc/27/80/05/631278005.db2.gz GWXKRMQMBLFLJC-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN COC[C@@H]1CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840948614 631278013 /nfs/dbraw/zinc/27/80/13/631278013.db2.gz GWXKRMQMBLFLJC-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN COC[C@@H]1CCN1Cc1c(O)cc(C)cc1Cl ZINC000840948614 631278017 /nfs/dbraw/zinc/27/80/17/631278017.db2.gz GWXKRMQMBLFLJC-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C2CCC2)c(Cl)c1 ZINC000840951910 631278452 /nfs/dbraw/zinc/27/84/52/631278452.db2.gz MSLGRKKSJORSQZ-AWEZNQCLSA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@@H](C)O ZINC000840950721 631279313 /nfs/dbraw/zinc/27/93/13/631279313.db2.gz NJCBMUMXIXTXMS-BXKDBHETSA-N 0 1 257.761 2.603 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950564 631279570 /nfs/dbraw/zinc/27/95/70/631279570.db2.gz LDWCPZFBCKCOEA-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950564 631279581 /nfs/dbraw/zinc/27/95/81/631279581.db2.gz LDWCPZFBCKCOEA-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN COCC[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000840955723 631283824 /nfs/dbraw/zinc/28/38/24/631283824.db2.gz VVYVYPVCINYXPC-SNVBAGLBSA-N 0 1 257.761 2.808 20 10 CFCDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000840978680 631292424 /nfs/dbraw/zinc/29/24/24/631292424.db2.gz OZYQEVYOTHBLFS-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977709 631292711 /nfs/dbraw/zinc/29/27/11/631292711.db2.gz JKSBPLOHAKUUII-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977709 631292714 /nfs/dbraw/zinc/29/27/14/631292714.db2.gz JKSBPLOHAKUUII-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841057634 631324676 /nfs/dbraw/zinc/32/46/76/631324676.db2.gz BQGBTWFBSSTMAL-PELKAZGASA-N 0 1 289.206 2.787 20 10 CFCDMN C[C@@H]([NH2+]CCn1cccn1)c1ccc(Cl)cc1[O-] ZINC000841748092 631464387 /nfs/dbraw/zinc/46/43/87/631464387.db2.gz ISYOHYMRMKEPLV-SNVBAGLBSA-N 0 1 265.744 2.593 20 10 CFCDMN COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752238 631465455 /nfs/dbraw/zinc/46/54/55/631465455.db2.gz RRDKVHQMQKUJRE-QWRGUYRKSA-N 0 1 287.787 2.748 20 10 CFCDMN CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCOC1 ZINC000841754124 631467305 /nfs/dbraw/zinc/46/73/05/631467305.db2.gz ZKSIAHVLOOQFMM-QMTHXVAHSA-N 0 1 285.771 2.502 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)ccc1[O-] ZINC000841760847 631469088 /nfs/dbraw/zinc/46/90/88/631469088.db2.gz YYWNTESXTCKOLO-QKCSRTOESA-N 0 1 269.772 3.000 20 10 CFCDMN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765582 631470014 /nfs/dbraw/zinc/47/00/14/631470014.db2.gz ZXMKIKDJXUAZQG-NOZJJQNGSA-N 0 1 257.761 2.857 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1C ZINC000842622591 631684508 /nfs/dbraw/zinc/68/45/08/631684508.db2.gz IDZUVOKXQJTCLO-MRXNPFEDSA-N 0 1 293.432 2.717 20 10 CFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnccn1 ZINC000813334824 631906273 /nfs/dbraw/zinc/90/62/73/631906273.db2.gz ZLLGEZMVYUHREH-UHFFFAOYSA-N 0 1 270.380 2.565 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000843433428 631958943 /nfs/dbraw/zinc/95/89/43/631958943.db2.gz ZTAQSIUQVNYIJD-SMDDNHRTSA-N 0 1 257.333 2.812 20 10 CFCDMN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844376490 632185430 /nfs/dbraw/zinc/18/54/30/632185430.db2.gz CSSHKPHHNVMGIA-ZUZCIYMTSA-N 0 1 297.370 2.621 20 10 CFCDMN COc1ccc(N(C)CCN(C)C/C=C\Cl)cc1 ZINC000844400030 632194624 /nfs/dbraw/zinc/19/46/24/632194624.db2.gz STAXZIRUMWBIMQ-WTKPLQERSA-N 0 1 268.788 2.816 20 10 CFCDMN CCc1noc(C)c1CNCc1c(O)cccc1OC ZINC000815145981 632216726 /nfs/dbraw/zinc/21/67/26/632216726.db2.gz JRTGZTWXJDKZTH-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815148351 632217609 /nfs/dbraw/zinc/21/76/09/632217609.db2.gz UFLJEGUBJHRFSK-SECBINFHSA-N 0 1 278.739 2.997 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@]3(CC3(F)F)C2)c1O ZINC000844470725 632224361 /nfs/dbraw/zinc/22/43/61/632224361.db2.gz KXIWJDCKHNZIAZ-CQSZACIVSA-N 0 1 299.292 2.965 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000844935402 632342096 /nfs/dbraw/zinc/34/20/96/632342096.db2.gz JINAOMQCSJSUCT-WSXGPOFGSA-N 0 1 288.391 2.703 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000844935399 632342210 /nfs/dbraw/zinc/34/22/10/632342210.db2.gz JINAOMQCSJSUCT-LVQRLBQTSA-N 0 1 288.391 2.703 20 10 CFCDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816516361 632477209 /nfs/dbraw/zinc/47/72/09/632477209.db2.gz CLUDEFNXQSDLGI-LRDDRELGSA-N 0 1 299.370 2.786 20 10 CFCDMN COC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816516361 632477213 /nfs/dbraw/zinc/47/72/13/632477213.db2.gz CLUDEFNXQSDLGI-LRDDRELGSA-N 0 1 299.370 2.786 20 10 CFCDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000816516361 632477216 /nfs/dbraw/zinc/47/72/16/632477216.db2.gz CLUDEFNXQSDLGI-LRDDRELGSA-N 0 1 299.370 2.786 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816521127 632478051 /nfs/dbraw/zinc/47/80/51/632478051.db2.gz HTZFLGJDAWEFRU-LRDDRELGSA-N 0 1 271.360 2.748 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816521127 632478054 /nfs/dbraw/zinc/47/80/54/632478054.db2.gz HTZFLGJDAWEFRU-LRDDRELGSA-N 0 1 271.360 2.748 20 10 CFCDMN CC(=O)N1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816530676 632479015 /nfs/dbraw/zinc/47/90/15/632479015.db2.gz QGRZFNCTYZRATM-UHFFFAOYSA-N 0 1 298.386 2.646 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000816535707 632479776 /nfs/dbraw/zinc/47/97/76/632479776.db2.gz XPEGGWHENCQTPJ-JTQLQIEISA-N 0 1 298.789 2.759 20 10 CFCDMN CCCNC(=O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537577 632480868 /nfs/dbraw/zinc/48/08/68/632480868.db2.gz JQPKSMCCWNVKDP-UHFFFAOYSA-N 0 1 286.375 2.551 20 10 CFCDMN Cn1cc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816537292 632480963 /nfs/dbraw/zinc/48/09/63/632480963.db2.gz ZBUFYNGAWNLTTE-UHFFFAOYSA-N 0 1 281.359 2.611 20 10 CFCDMN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559026 632483804 /nfs/dbraw/zinc/48/38/04/632483804.db2.gz VDNNKEHZNWPQLI-HOTGVXAUSA-N 0 1 298.386 2.550 20 10 CFCDMN C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816556482 632484405 /nfs/dbraw/zinc/48/44/05/632484405.db2.gz KLAWSXLJWCQZIP-YUNKPMOVSA-N 0 1 291.416 2.792 20 10 CFCDMN C[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])[S@@](C)=O ZINC000816563508 632485099 /nfs/dbraw/zinc/48/50/99/632485099.db2.gz AIFQWKRFGQTRAA-FKIZINRSSA-N 0 1 291.416 2.792 20 10 CFCDMN CCOC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816571203 632487507 /nfs/dbraw/zinc/48/75/07/632487507.db2.gz VQYYZJOHBZWBEB-UHFFFAOYSA-N 0 1 299.370 2.978 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1CC(O)C1 ZINC000816569744 632487964 /nfs/dbraw/zinc/48/79/64/632487964.db2.gz VKFHBOSPUHJVSC-UHFFFAOYSA-N 0 1 257.333 2.501 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC(O)C1 ZINC000816569744 632487968 /nfs/dbraw/zinc/48/79/68/632487968.db2.gz VKFHBOSPUHJVSC-UHFFFAOYSA-N 0 1 257.333 2.501 20 10 CFCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816594543 632491660 /nfs/dbraw/zinc/49/16/60/632491660.db2.gz HUWGZXBLGXWBCR-OAHLLOKOSA-N 0 1 271.360 2.748 20 10 CFCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816594543 632491664 /nfs/dbraw/zinc/49/16/64/632491664.db2.gz HUWGZXBLGXWBCR-OAHLLOKOSA-N 0 1 271.360 2.748 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H](O)C1CC1 ZINC000816610918 632494620 /nfs/dbraw/zinc/49/46/20/632494620.db2.gz CKCQUXPWFLNANL-INIZCTEOSA-N 0 1 271.360 2.748 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H](O)C1CC1 ZINC000816610918 632494621 /nfs/dbraw/zinc/49/46/21/632494621.db2.gz CKCQUXPWFLNANL-INIZCTEOSA-N 0 1 271.360 2.748 20 10 CFCDMN CN1CCC[C@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000816642451 632500952 /nfs/dbraw/zinc/50/09/52/632500952.db2.gz ZUZYJECCKAAZMT-INIZCTEOSA-N 0 1 294.826 2.963 20 10 CFCDMN CN1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000816642451 632500958 /nfs/dbraw/zinc/50/09/58/632500958.db2.gz ZUZYJECCKAAZMT-INIZCTEOSA-N 0 1 294.826 2.963 20 10 CFCDMN COc1cccc(O)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666373 632508742 /nfs/dbraw/zinc/50/87/42/632508742.db2.gz LOLTWDHLFJVRJQ-IAGOWNOFSA-N 0 1 289.375 2.544 20 10 CFCDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413253 632624188 /nfs/dbraw/zinc/62/41/88/632624188.db2.gz UWLZOERPYKOJTJ-VHSXEESVSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412109 632624906 /nfs/dbraw/zinc/62/49/06/632624906.db2.gz CZCPZPAHNAZUOX-UWVGGRQHSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)C2(CCC2)CO1 ZINC000846067869 632628077 /nfs/dbraw/zinc/62/80/77/632628077.db2.gz ZMMQCIWVGLYXOD-LLVKDONJSA-N 0 1 265.328 2.675 20 10 CFCDMN Cc1ccc(O)c(CNC(C)(C)c2cn(C(C)C)nn2)c1 ZINC000817419334 632628591 /nfs/dbraw/zinc/62/85/91/632628591.db2.gz FWLAHOFRXWFNGK-UHFFFAOYSA-N 0 1 288.395 2.898 20 10 CFCDMN CC(C)n1cc(C(C)(C)NCc2ccccc2O)nn1 ZINC000817420742 632628698 /nfs/dbraw/zinc/62/86/98/632628698.db2.gz YTBACESNUICRGE-UHFFFAOYSA-N 0 1 274.368 2.590 20 10 CFCDMN COc1ccncc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846169986 632653073 /nfs/dbraw/zinc/65/30/73/632653073.db2.gz LOCSRIUSADTUSL-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846225943 632668472 /nfs/dbraw/zinc/66/84/72/632668472.db2.gz RRGNOPQRYSZIEF-HNNXBMFYSA-N 0 1 276.380 2.500 20 10 CFCDMN Cc1cc(C[N@@H+](C)CC(=O)[O-])ccc1N1CCCCC1 ZINC000846263572 632676380 /nfs/dbraw/zinc/67/63/80/632676380.db2.gz XNXFLBJPFARUHQ-UHFFFAOYSA-N 0 1 276.380 2.502 20 10 CFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881047 632717100 /nfs/dbraw/zinc/71/71/00/632717100.db2.gz FIVWHOMSXXBFSJ-MWLCHTKSSA-N 0 1 283.755 2.588 20 10 CFCDMN CC[C@@H]([NH2+]CC(C)(C)N)c1cccc(Cl)c1[O-] ZINC000817960547 632759432 /nfs/dbraw/zinc/75/94/32/632759432.db2.gz NLSICOZDNKFUHR-LLVKDONJSA-N 0 1 256.777 2.824 20 10 CFCDMN C[C@@H](NCC(F)(F)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817966652 632765438 /nfs/dbraw/zinc/76/54/38/632765438.db2.gz SLYNZCCPHKPAJZ-ZCFIWIBFSA-N 0 1 299.148 2.944 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccc(Cl)c1[O-] ZINC000817979963 632777091 /nfs/dbraw/zinc/77/70/91/632777091.db2.gz QRDOXCMKXPYLNU-LNLATYFQSA-N 0 1 256.777 2.822 20 10 CFCDMN CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981889 632778883 /nfs/dbraw/zinc/77/88/83/632778883.db2.gz WUGOAPYZUSKBSQ-AAEUAGOBSA-N 0 1 288.313 2.569 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000818358363 632837559 /nfs/dbraw/zinc/83/75/59/632837559.db2.gz XNNJMGARBQNMLK-VCTAVGKDSA-N 0 1 257.333 2.719 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1Cl ZINC000857061305 635922141 /nfs/dbraw/zinc/92/21/41/635922141.db2.gz OEAXXPJBHMXVDY-GWCFXTLKSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1Cl ZINC000857061305 635922145 /nfs/dbraw/zinc/92/21/45/635922145.db2.gz OEAXXPJBHMXVDY-GWCFXTLKSA-N 0 1 283.799 2.804 20 10 CFCDMN CCc1cccc(CN2CC[C@H](C)C[C@@H]2C(=O)OC)c1O ZINC000848904612 633391400 /nfs/dbraw/zinc/39/14/00/633391400.db2.gz YFZQRYHREDPKNF-SWLSCSKDSA-N 0 1 291.391 2.728 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC1CCCCC1 ZINC000849049695 633481175 /nfs/dbraw/zinc/48/11/75/633481175.db2.gz UPIPNVNFYISTNL-UHFFFAOYSA-N 0 1 281.787 2.992 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1cscn1 ZINC000108942237 633744891 /nfs/dbraw/zinc/74/48/91/633744891.db2.gz QHCLSJFKBNVYMW-UHFFFAOYSA-N 0 1 268.769 2.834 20 10 CFCDMN COc1ccc(CNCc2c(C3CC3)cnn2C)cc1C ZINC000850113446 633845546 /nfs/dbraw/zinc/84/55/46/633845546.db2.gz HTPCEYXTOSSIAD-UHFFFAOYSA-N 0 1 285.391 2.904 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000850388255 633972465 /nfs/dbraw/zinc/97/24/65/633972465.db2.gz KGQXVUIQNKDTCP-ZIAGYGMSSA-N 0 1 281.783 2.747 20 10 CFCDMN C[C@H](NCc1cc(Cl)ccc1O)c1nccn1C ZINC000850410155 633982032 /nfs/dbraw/zinc/98/20/32/633982032.db2.gz OGYKCYBEYDGZSA-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487989 634015909 /nfs/dbraw/zinc/01/59/09/634015909.db2.gz KNLJZPXRFYPQMV-RNCFNFMXSA-N 0 1 269.772 2.857 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850572820 634057240 /nfs/dbraw/zinc/05/72/40/634057240.db2.gz PMQDZXVJHDHOJS-QWRGUYRKSA-N 0 1 275.352 2.546 20 10 CFCDMN COc1cccc([C@@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850571769 634057342 /nfs/dbraw/zinc/05/73/42/634057342.db2.gz AGXWIBUGGXLJGH-GHMZBOCLSA-N 0 1 275.352 2.546 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000850578045 634058409 /nfs/dbraw/zinc/05/84/09/634058409.db2.gz GBCQZJNDUOCCOY-RAIGVLPGSA-N 0 1 257.333 2.719 20 10 CFCDMN CNC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231104 635265008 /nfs/dbraw/zinc/26/50/08/635265008.db2.gz DUEOLSYEIBXTRW-HTQZYQBOSA-N 0 1 277.195 2.958 20 10 CFCDMN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000857084174 635927385 /nfs/dbraw/zinc/92/73/85/635927385.db2.gz KCXLMCBTBYGGMQ-SWLSCSKDSA-N 0 1 298.386 2.817 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN(C)CC(F)F)c(Cl)c1 ZINC000858337152 636196966 /nfs/dbraw/zinc/19/69/66/636196966.db2.gz AROYJTICRWTCLG-UHFFFAOYSA-N 0 1 292.757 2.641 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@@](C)(O)CC2)cc1F ZINC000862352015 637327360 /nfs/dbraw/zinc/32/73/60/637327360.db2.gz YJZHFGPHJSUMCR-MRXNPFEDSA-N 0 1 298.377 2.768 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@](C)(O)CC2)cc1F ZINC000862352014 637328117 /nfs/dbraw/zinc/32/81/17/637328117.db2.gz YJZHFGPHJSUMCR-INIZCTEOSA-N 0 1 298.377 2.768 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC3(CCO3)CC2)cc1F ZINC000862357402 637331677 /nfs/dbraw/zinc/33/16/77/637331677.db2.gz XTAMUOYRPXBNIH-UHFFFAOYSA-N 0 1 296.361 2.786 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C)c(C)[nH]2)c1 ZINC000862368005 637339196 /nfs/dbraw/zinc/33/91/96/637339196.db2.gz AXHFXSBOHJFXNM-LLVKDONJSA-N 0 1 275.352 2.592 20 10 CFCDMN C[C@H]1[C@@H](CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862395206 637355327 /nfs/dbraw/zinc/35/53/27/637355327.db2.gz XRZJPEOYKMGUEM-NWDGAFQWSA-N 0 1 298.377 2.624 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC1(C)COC1 ZINC000862477013 637396209 /nfs/dbraw/zinc/39/62/09/637396209.db2.gz GTHAVGKNBKXAHG-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC1(C)COC1 ZINC000862477013 637396214 /nfs/dbraw/zinc/39/62/14/637396214.db2.gz GTHAVGKNBKXAHG-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000862547337 637419740 /nfs/dbraw/zinc/41/97/40/637419740.db2.gz CAVOLCZHSIBVSH-KLPPZKSPSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](CCF)C2)c1 ZINC000863318436 637625322 /nfs/dbraw/zinc/62/53/22/637625322.db2.gz YKJXMKBFUBWNFP-AWEZNQCLSA-N 0 1 267.344 2.569 20 10 CFCDMN CCCN(Cc1ccccc1O)C(=O)C[N@@H+](C)C1CCC1 ZINC000863863817 637800996 /nfs/dbraw/zinc/80/09/96/637800996.db2.gz QVYCCJVXCRTGFS-UHFFFAOYSA-N 0 1 290.407 2.615 20 10 CFCDMN C[C@]1(C2CC2)C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000864051280 637845152 /nfs/dbraw/zinc/84/51/52/637845152.db2.gz FTORTPHWVHYYGV-OAHLLOKOSA-N 0 1 283.318 2.671 20 10 CFCDMN C[C@]1(C2CC2)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000864051280 637845160 /nfs/dbraw/zinc/84/51/60/637845160.db2.gz FTORTPHWVHYYGV-OAHLLOKOSA-N 0 1 283.318 2.671 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865692697 638516089 /nfs/dbraw/zinc/51/60/89/638516089.db2.gz MNEFPEJUSCVALW-WIVWZLNMSA-N 0 1 279.767 2.559 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865693274 638517137 /nfs/dbraw/zinc/51/71/37/638517137.db2.gz OUTBYDTYBGQQSS-GRPXYMBPSA-N 0 1 279.767 2.559 20 10 CFCDMN Cc1cc(O)c(CNCc2nn(C)cc2C(F)F)cc1C ZINC000865808892 638586738 /nfs/dbraw/zinc/58/67/38/638586738.db2.gz GIVXUWWAAHBWSZ-UHFFFAOYSA-N 0 1 295.333 2.970 20 10 CFCDMN NC(=O)CC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000122716825 639350087 /nfs/dbraw/zinc/35/00/87/639350087.db2.gz CVJUOIYTSLIVCH-NSHDSACASA-N 0 1 296.798 2.523 20 10 CFCDMN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000122716825 639350094 /nfs/dbraw/zinc/35/00/94/639350094.db2.gz CVJUOIYTSLIVCH-NSHDSACASA-N 0 1 296.798 2.523 20 10 CFCDMN COc1cccc(CNCc2cn3cccc(C)c3n2)c1O ZINC000123993229 641700389 /nfs/dbraw/zinc/70/03/89/641700389.db2.gz YJZPCNNFYRZWPM-UHFFFAOYSA-N 0 1 297.358 2.647 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[O-] ZINC000872313721 641753020 /nfs/dbraw/zinc/75/30/20/641753020.db2.gz QFFJYCLSVSCNNJ-ZBFHGGJFSA-N 0 1 293.338 2.535 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000124407836 642040523 /nfs/dbraw/zinc/04/05/23/642040523.db2.gz WCEYYGXBTGKOAN-WCQYABFASA-N 0 1 259.349 2.967 20 10 CFCDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccc(N)cc1 ZINC000876504782 642897131 /nfs/dbraw/zinc/89/71/31/642897131.db2.gz WOAKTXAHYYDWNY-UHFFFAOYSA-N 0 1 258.325 2.542 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000086814232 650797459 /nfs/dbraw/zinc/79/74/59/650797459.db2.gz FBOGWWAYTSHDKW-HNNXBMFYSA-N 0 1 276.380 2.582 20 10 CFCDMN CC(C)[N@H+]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876522794 642902977 /nfs/dbraw/zinc/90/29/77/642902977.db2.gz BZXHQJOLYPPJRT-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCSC1 ZINC000876573438 642927766 /nfs/dbraw/zinc/92/77/66/642927766.db2.gz REAQVQCFJCEZAS-SECBINFHSA-N 0 1 259.321 2.608 20 10 CFCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000876680713 642970782 /nfs/dbraw/zinc/97/07/82/642970782.db2.gz SQLLGWZGNDBBBE-LBPRGKRZSA-N 0 1 293.317 2.704 20 10 CFCDMN C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1[O-] ZINC000876766274 643001109 /nfs/dbraw/zinc/00/11/09/643001109.db2.gz GVMCSPUNHIQEAF-ZDUSSCGKSA-N 0 1 298.377 2.977 20 10 CFCDMN CSC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876777895 643005298 /nfs/dbraw/zinc/00/52/98/643005298.db2.gz SGOXOACOMAUHPI-SNVBAGLBSA-N 0 1 273.348 2.998 20 10 CFCDMN Nc1c(F)cccc1CNCc1ccc2c(c1)CCO2 ZINC000876996157 643098264 /nfs/dbraw/zinc/09/82/64/643098264.db2.gz NRIPMWQQPHEKSJ-UHFFFAOYSA-N 0 1 272.323 2.633 20 10 CFCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465255 643285747 /nfs/dbraw/zinc/28/57/47/643285747.db2.gz SCUCFSYOPRJKAY-NRUUGDAUSA-N 0 1 285.334 2.652 20 10 CFCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C)cc1O ZINC000877479443 643296219 /nfs/dbraw/zinc/29/62/19/643296219.db2.gz CWQKDMTXJVXGDE-MRXNPFEDSA-N 0 1 263.381 2.828 20 10 CFCDMN Cc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c(O)c1 ZINC000877505423 643315818 /nfs/dbraw/zinc/31/58/18/643315818.db2.gz CURVTKOOKMWNSR-ZDUSSCGKSA-N 0 1 263.381 2.684 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc(F)c1F ZINC000877507683 643316782 /nfs/dbraw/zinc/31/67/82/643316782.db2.gz KPXMFMWKDXEHHU-OAHLLOKOSA-N 0 1 283.318 2.673 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000877566324 643365884 /nfs/dbraw/zinc/36/58/84/643365884.db2.gz XXGIYBVGWBSXAB-SKDRFNHKSA-N 0 1 271.307 2.527 20 10 CFCDMN Cc1ccc(CN[C@@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000877570991 643368926 /nfs/dbraw/zinc/36/89/26/643368926.db2.gz VXFYRFWIPISGNA-DGCLKSJQSA-N 0 1 257.337 2.693 20 10 CFCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877573651 643372210 /nfs/dbraw/zinc/37/22/10/643372210.db2.gz TWKGALVMPFRIKN-NSHDSACASA-N 0 1 285.334 2.653 20 10 CFCDMN Cc1cccc(O)c1CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000877643233 643426702 /nfs/dbraw/zinc/42/67/02/643426702.db2.gz FKKZVSMFCHPLOR-IAQYHMDHSA-N 0 1 285.334 2.945 20 10 CFCDMN COc1cnc(F)c(CNCc2cc(C)ccc2O)c1 ZINC000877652912 643433416 /nfs/dbraw/zinc/43/34/16/643433416.db2.gz QARBMCOSLAIDGJ-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000877673782 643448003 /nfs/dbraw/zinc/44/80/03/643448003.db2.gz IKXWARFYKGTNDI-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)ccc(F)c1F ZINC000877737991 643500319 /nfs/dbraw/zinc/50/03/19/643500319.db2.gz MBDVXNRIKJFOIN-QWRGUYRKSA-N 0 1 285.359 2.855 20 10 CFCDMN C[C@H](NCc1c(Cl)cnn1C)c1ccccc1O ZINC000877757156 643536563 /nfs/dbraw/zinc/53/65/63/643536563.db2.gz JUMIUCXPDBBANF-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@H](NCc1cc2n(n1)CCCC2)c1ccccc1O ZINC000877758056 643538294 /nfs/dbraw/zinc/53/82/94/643538294.db2.gz HGGHGBMWULLSKY-LBPRGKRZSA-N 0 1 271.364 2.776 20 10 CFCDMN CN1c2ccccc2C(=O)N[C@H]1c1ccc(F)c(F)c1O ZINC000877842663 643604888 /nfs/dbraw/zinc/60/48/88/643604888.db2.gz KDLSADTYUAEBMG-CQSZACIVSA-N 0 1 290.269 2.549 20 10 CFCDMN CN1c2ccccc2C(=O)N[C@@H]1c1ccc(F)c(F)c1O ZINC000877842662 643605644 /nfs/dbraw/zinc/60/56/44/643605644.db2.gz KDLSADTYUAEBMG-AWEZNQCLSA-N 0 1 290.269 2.549 20 10 CFCDMN CN1C(=O)c2ccccc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877843530 643606104 /nfs/dbraw/zinc/60/61/04/643606104.db2.gz RTHNSJLBMKKSKW-CQSZACIVSA-N 0 1 290.269 2.867 20 10 CFCDMN NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092660246 650923010 /nfs/dbraw/zinc/92/30/10/650923010.db2.gz HFSMIWGOXWCWDT-LLVKDONJSA-N 0 1 296.798 2.523 20 10 CFCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092660246 650923013 /nfs/dbraw/zinc/92/30/13/650923013.db2.gz HFSMIWGOXWCWDT-LLVKDONJSA-N 0 1 296.798 2.523 20 10 CFCDMN COCC1([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])CCC1 ZINC000880187269 644571068 /nfs/dbraw/zinc/57/10/68/644571068.db2.gz BOXYQBPCYTZFDH-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN COCC1([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])CCC1 ZINC000880187269 644571071 /nfs/dbraw/zinc/57/10/71/644571071.db2.gz BOXYQBPCYTZFDH-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883269495 645711485 /nfs/dbraw/zinc/71/14/85/645711485.db2.gz MDCPVUWAJLYVJX-GFCCVEGCSA-N 0 1 295.766 2.579 20 10 CFCDMN CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000883356374 645762163 /nfs/dbraw/zinc/76/21/63/645762163.db2.gz MDTHZDURTAGBKJ-PWSUYJOCSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000883407125 645802339 /nfs/dbraw/zinc/80/23/39/645802339.db2.gz LUELQTJDQOFUJC-YFKPBYRVSA-N 0 1 253.651 2.928 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884481693 646388444 /nfs/dbraw/zinc/38/84/44/646388444.db2.gz PGQZDNIENFJCBR-KBXCAEBGSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884481693 646388451 /nfs/dbraw/zinc/38/84/51/646388451.db2.gz PGQZDNIENFJCBR-KBXCAEBGSA-N 0 1 298.386 2.941 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000134937653 646411028 /nfs/dbraw/zinc/41/10/28/646411028.db2.gz IWUNEZDSXZSAGP-PSASIEDQSA-N 0 1 286.169 2.594 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000886670806 647101573 /nfs/dbraw/zinc/10/15/73/647101573.db2.gz WQXBVJSUJPUGAF-UHTWSYAYSA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000886801858 647144678 /nfs/dbraw/zinc/14/46/78/647144678.db2.gz UHJYAALVZMHMST-WKEGUHRASA-N 0 1 299.239 2.634 20 10 CFCDMN C[C@@H]1C[C@@H](NCCCSc2nccs2)c2ncnn21 ZINC000925102137 648105948 /nfs/dbraw/zinc/10/59/48/648105948.db2.gz LKWDJBFZESLEBU-NXEZZACHSA-N 0 1 295.437 2.512 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(F)ccc1[O-] ZINC000926935003 648663600 /nfs/dbraw/zinc/66/36/00/648663600.db2.gz BVPIJBNIXGLAOR-CZXHOFHRSA-N 0 1 277.339 2.773 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1[O-] ZINC000926947826 648667672 /nfs/dbraw/zinc/66/76/72/648667672.db2.gz LJNGMMCNEYCCDM-HOZXKAFVSA-N 0 1 297.782 2.500 20 10 CFCDMN C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000926999361 648678266 /nfs/dbraw/zinc/67/82/66/648678266.db2.gz BQFJEEFQVXIVJD-SNVBAGLBSA-N 0 1 297.782 2.849 20 10 CFCDMN CCOCCOCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000927086212 648705194 /nfs/dbraw/zinc/70/51/94/648705194.db2.gz DTIMDEPWNYMVRD-LLVKDONJSA-N 0 1 287.787 2.749 20 10 CFCDMN C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1ccccc1O ZINC000930203395 649205907 /nfs/dbraw/zinc/20/59/07/649205907.db2.gz WTQHUHVEIZHQRA-SECBINFHSA-N 0 1 299.296 2.995 20 10 CFCDMN CN(C)c1ccc(CN(Cc2cncnc2)C2CC2)cc1 ZINC000271037275 651198752 /nfs/dbraw/zinc/19/87/52/651198752.db2.gz GOXSVFWMHJGRJF-UHFFFAOYSA-N 0 1 282.391 2.707 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC[C@@]1(C)O ZINC001140057722 770114862 /nfs/dbraw/zinc/11/48/62/770114862.db2.gz LGGRUDZDDRRXDU-XHDPSFHLSA-N 0 1 267.344 2.514 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000723022344 770447276 /nfs/dbraw/zinc/44/72/76/770447276.db2.gz IOFGMOOQYHIYBW-OAHLLOKOSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000723022344 770447278 /nfs/dbraw/zinc/44/72/78/770447278.db2.gz IOFGMOOQYHIYBW-OAHLLOKOSA-N 0 1 297.782 2.595 20 10 CFCDMN CN1CCN(c2ccc(CNc3ccc(O)cc3)cc2)CC1 ZINC001167434690 770483754 /nfs/dbraw/zinc/48/37/54/770483754.db2.gz SCVUNIXHCAVPEQ-UHFFFAOYSA-N 0 1 297.402 2.756 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCC[C@@H]1O ZINC001140338101 770526099 /nfs/dbraw/zinc/52/60/99/770526099.db2.gz VENPKMQPCGJEPC-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCC[C@@H]1O ZINC001140338101 770526101 /nfs/dbraw/zinc/52/61/01/770526101.db2.gz VENPKMQPCGJEPC-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)[N@H+](C)Cc1c([O-])cccc1Br ZINC000707172221 770610387 /nfs/dbraw/zinc/61/03/87/770610387.db2.gz VKAAYJBIVHFFBJ-UHFFFAOYSA-N 0 1 258.159 2.995 20 10 CFCDMN CC(C)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707172221 770610391 /nfs/dbraw/zinc/61/03/91/770610391.db2.gz VKAAYJBIVHFFBJ-UHFFFAOYSA-N 0 1 258.159 2.995 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000724009120 770746122 /nfs/dbraw/zinc/74/61/22/770746122.db2.gz DPFNPMCKOLOKEO-FZMZJTMJSA-N 0 1 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/nfs/dbraw/zinc/94/80/49/778948049.db2.gz SMFWYHQRKDIMKR-ZUZCIYMTSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809059 778948054 /nfs/dbraw/zinc/94/80/54/778948054.db2.gz SMFWYHQRKDIMKR-ZUZCIYMTSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809059 778948057 /nfs/dbraw/zinc/94/80/57/778948057.db2.gz SMFWYHQRKDIMKR-ZUZCIYMTSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001236808270 778948150 /nfs/dbraw/zinc/94/81/50/778948150.db2.gz OHKJNZNGVYFVSU-GUYCJALGSA-N 0 1 291.391 2.710 20 10 CFCDMN COc1ccc(CN2CCn3cccc3C2)c(O)c1Cl ZINC001236813800 778949925 /nfs/dbraw/zinc/94/99/25/778949925.db2.gz PNLCPXFMLIQELG-UHFFFAOYSA-N 0 1 292.766 2.872 20 10 CFCDMN COC1(C)CN(Cc2cc3ccccc3cc2O)C1 ZINC001236826427 778955559 /nfs/dbraw/zinc/95/55/59/778955559.db2.gz JICKDNNTNVGNCO-UHFFFAOYSA-N 0 1 257.333 2.766 20 10 CFCDMN OC[C@@H]1C[C@H](F)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826186 778955590 /nfs/dbraw/zinc/95/55/90/778955590.db2.gz HUTQTKXXGHFJRH-WBMJQRKESA-N 0 1 289.350 2.698 20 10 CFCDMN CCOC1CN(Cc2cc3ccccc3cc2O)C1 ZINC001236827961 778956608 /nfs/dbraw/zinc/95/66/08/778956608.db2.gz XNSAJELOTVDUOP-UHFFFAOYSA-N 0 1 257.333 2.766 20 10 CFCDMN CCOC(=O)C1CN(Cc2cc3ccccc3cc2O)C1 ZINC001236841440 778961874 /nfs/dbraw/zinc/96/18/74/778961874.db2.gz KJOSUEPQMRIBMI-UHFFFAOYSA-N 0 1 285.343 2.540 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001237040453 778995968 /nfs/dbraw/zinc/99/59/68/778995968.db2.gz DFTRUCIEJLVISL-RHSMWYFYSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(CN2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001237042810 778996045 /nfs/dbraw/zinc/99/60/45/778996045.db2.gz JLHULKQPACTGKI-OAHLLOKOSA-N 0 1 279.380 2.648 20 10 CFCDMN CCOc1ccc(CN2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001237043569 778996452 /nfs/dbraw/zinc/99/64/52/778996452.db2.gz IETFKTLBKIDUQQ-ZYHUDNBSSA-N 0 1 253.317 2.723 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001237041856 778996500 /nfs/dbraw/zinc/99/65/00/778996500.db2.gz NRLBEQYVOIQIDV-INIZCTEOSA-N 0 1 299.374 2.918 20 10 CFCDMN CCOc1ccc(CN2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001237041856 778996502 /nfs/dbraw/zinc/99/65/02/778996502.db2.gz NRLBEQYVOIQIDV-INIZCTEOSA-N 0 1 299.374 2.918 20 10 CFCDMN CCOc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001237049762 779000043 /nfs/dbraw/zinc/00/00/43/779000043.db2.gz IXRBPWCRAHVTFC-UBHSHLNASA-N 0 1 265.328 2.581 20 10 CFCDMN COc1cc(O)c(CN2CC(C)C2)c(Br)c1 ZINC001237062004 779001874 /nfs/dbraw/zinc/00/18/74/779001874.db2.gz IQVUSLODHBXTJN-UHFFFAOYSA-N 0 1 286.169 2.615 20 10 CFCDMN COc1cc([O-])c(C[NH+]2CCCC2)c(Br)c1 ZINC001237062585 779002137 /nfs/dbraw/zinc/00/21/37/779002137.db2.gz MYJFJEYBUGZTEB-UHFFFAOYSA-N 0 1 286.169 2.759 20 10 CFCDMN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237119791 779017309 /nfs/dbraw/zinc/01/73/09/779017309.db2.gz FMVMHBJVBFQBGN-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237119791 779017317 /nfs/dbraw/zinc/01/73/17/779017317.db2.gz FMVMHBJVBFQBGN-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN CC(C)[NH+]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121782 779017980 /nfs/dbraw/zinc/01/79/80/779017980.db2.gz PGVOVLSYZOOPJB-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[N@@H+](Cc1cccnc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073817 779017989 /nfs/dbraw/zinc/01/79/89/779017989.db2.gz DDZHZPMIWCIPAY-UHFFFAOYSA-N 0 1 264.275 2.697 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCC[C@H](O)C1 ZINC001237122594 779018669 /nfs/dbraw/zinc/01/86/69/779018669.db2.gz WKLUMZJZUAQCNI-VIFPVBQESA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237122594 779018677 /nfs/dbraw/zinc/01/86/77/779018677.db2.gz WKLUMZJZUAQCNI-VIFPVBQESA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001237123044 779019553 /nfs/dbraw/zinc/01/95/53/779019553.db2.gz GMOVPKSSMBUGFS-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001237123044 779019559 /nfs/dbraw/zinc/01/95/59/779019559.db2.gz GMOVPKSSMBUGFS-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN C[C@]1(O)CCCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122701 779020452 /nfs/dbraw/zinc/02/04/52/779020452.db2.gz WXPLYRMZHHZIFL-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@]1(O)CCCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122701 779020458 /nfs/dbraw/zinc/02/04/58/779020458.db2.gz WXPLYRMZHHZIFL-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233415957 779040430 /nfs/dbraw/zinc/04/04/30/779040430.db2.gz PZBXNXVNFZBHFF-CABZTGNLSA-N 0 1 289.297 2.614 20 10 CFCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccn(C)n1 ZINC000213100251 779094305 /nfs/dbraw/zinc/09/43/05/779094305.db2.gz RELLMXCIZVEUSB-AAEUAGOBSA-N 0 1 271.364 2.772 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001237484356 779117545 /nfs/dbraw/zinc/11/75/45/779117545.db2.gz CSDZPDVMQVEVGV-MRXNPFEDSA-N 0 1 263.381 2.684 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CC(F)(F)C1 ZINC001237620129 779145396 /nfs/dbraw/zinc/14/53/96/779145396.db2.gz UIMPYFKTERJCSP-UHFFFAOYSA-N 0 1 251.635 2.636 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237622335 779145893 /nfs/dbraw/zinc/14/58/93/779145893.db2.gz RBJSHHXPDUHIEK-VWUVDNNOSA-N 0 1 297.757 2.794 20 10 CFCDMN CN1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237624033 779146782 /nfs/dbraw/zinc/14/67/82/779146782.db2.gz VGCNFBPYLREIRU-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237624033 779146786 /nfs/dbraw/zinc/14/67/86/779146786.db2.gz VGCNFBPYLREIRU-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237802662 779181767 /nfs/dbraw/zinc/18/17/67/779181767.db2.gz NUBGSJYVWSLSRQ-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237802662 779181772 /nfs/dbraw/zinc/18/17/72/779181772.db2.gz NUBGSJYVWSLSRQ-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237802662 779181779 /nfs/dbraw/zinc/18/17/79/779181779.db2.gz NUBGSJYVWSLSRQ-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])CC(C)(C)O ZINC001237805462 779183278 /nfs/dbraw/zinc/18/32/78/779183278.db2.gz LYHZTGVDPXQFSL-UHFFFAOYSA-N 0 1 275.751 2.778 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC(C(F)F)C1 ZINC001237804169 779183382 /nfs/dbraw/zinc/18/33/82/779183382.db2.gz YGRVDLCKTOVJGT-UHFFFAOYSA-N 0 1 265.662 2.882 20 10 CFCDMN O=C1CN(Cc2cc(F)cc(Cl)c2O)CCC[C@H]1F ZINC001237804288 779183669 /nfs/dbraw/zinc/18/36/69/779183669.db2.gz BWMLSYRLAWIQNL-LLVKDONJSA-N 0 1 289.709 2.688 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237808786 779184872 /nfs/dbraw/zinc/18/48/72/779184872.db2.gz WMBPHQNYBYFVNN-PHIMTYICSA-N 0 1 271.719 2.548 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237934153 779209438 /nfs/dbraw/zinc/20/94/38/779209438.db2.gz HXILITIZWBDNEV-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237950690 779214884 /nfs/dbraw/zinc/21/48/84/779214884.db2.gz YXKWSSMFUMZQHW-FHYCKABGSA-N 0 1 297.757 2.794 20 10 CFCDMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(F)cc(C)c1O)C2 ZINC001238070013 779245807 /nfs/dbraw/zinc/24/58/07/779245807.db2.gz MBIVKVFORUNXJQ-ZFWWWQNUSA-N 0 1 265.328 2.593 20 10 CFCDMN Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001238071067 779246825 /nfs/dbraw/zinc/24/68/25/779246825.db2.gz RKNINMANZFYJHA-INIZCTEOSA-N 0 1 279.355 2.842 20 10 CFCDMN CN(Cc1c([O-])ccc(F)c1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219580 779504739 /nfs/dbraw/zinc/50/47/39/779504739.db2.gz WHVXFBWNTSOOPV-NEPJUHHUSA-N 0 1 286.778 2.886 20 10 CFCDMN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H](C)[NH2+]1 ZINC001236579034 779589853 /nfs/dbraw/zinc/58/98/53/779589853.db2.gz KRJIVWDLNNTXDG-RKDXNWHRSA-N 0 1 289.206 2.881 20 10 CFCDMN COc1cc(CN2CCCC[C@H](F)C2)c(O)c(OC)c1 ZINC001237671352 779705236 /nfs/dbraw/zinc/70/52/36/779705236.db2.gz AZVRKXXUVFCCMC-LBPRGKRZSA-N 0 1 283.343 2.733 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@H]1O ZINC001237933660 779724393 /nfs/dbraw/zinc/72/43/93/779724393.db2.gz FMYQEZTUHLNHRB-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000702800853 780954502 /nfs/dbraw/zinc/95/45/02/780954502.db2.gz CPTLTYYSHNCCJY-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000702800853 780954510 /nfs/dbraw/zinc/95/45/10/780954510.db2.gz CPTLTYYSHNCCJY-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN C[C@@H](NCc1ccc(F)c(F)c1O)C(F)(F)F ZINC000703395873 781013898 /nfs/dbraw/zinc/01/38/98/781013898.db2.gz UUONZVLWTHOXRK-RXMQYKEDSA-N 0 1 255.186 2.711 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1C ZINC000703532169 781026453 /nfs/dbraw/zinc/02/64/53/781026453.db2.gz SWOFZNVIUDDPSP-SKDRFNHKSA-N 0 1 271.307 2.527 20 10 CFCDMN COCCCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703556757 781031028 /nfs/dbraw/zinc/03/10/28/781031028.db2.gz QFBUHVIFUJTINV-UHFFFAOYSA-N 0 1 259.296 2.529 20 10 CFCDMN CCCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837455 781139759 /nfs/dbraw/zinc/13/97/59/781139759.db2.gz HUHBBXMKIPPWSI-LLVKDONJSA-N 0 1 253.317 2.532 20 10 CFCDMN COCC[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706804744 781204099 /nfs/dbraw/zinc/20/40/99/781204099.db2.gz OXOULQBIJJSEFT-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](C)OC ZINC000708401394 781273566 /nfs/dbraw/zinc/27/35/66/781273566.db2.gz RDGMKNUMWWZBFS-VIFPVBQESA-N 0 1 259.296 2.527 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708400768 781273707 /nfs/dbraw/zinc/27/37/07/781273707.db2.gz PGIDBGKTBQTWQL-AWEZNQCLSA-N 0 1 285.334 2.917 20 10 CFCDMN C[C@H]1COCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378445510 300340010 /nfs/dbraw/zinc/34/00/10/300340010.db2.gz UPLGAVXJCLCJJW-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN Cc1ccc(O)c(CN2CCc3nc(C4CC4)ncc3C2)c1 ZINC000143386604 347937116 /nfs/dbraw/zinc/93/71/16/347937116.db2.gz JKPSNSUDZOUVJZ-UHFFFAOYSA-N 0 1 295.386 2.926 20 10 CFCDMN CN(C)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000097927908 375588620 /nfs/dbraw/zinc/58/86/20/375588620.db2.gz WXWWIATUIHSIRU-UHFFFAOYSA-N 0 1 268.788 2.620 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124525884 377058908 /nfs/dbraw/zinc/05/89/08/377058908.db2.gz JXFZKAPRNYAMLU-NSHDSACASA-N 0 1 255.745 2.656 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124525884 377058914 /nfs/dbraw/zinc/05/89/14/377058914.db2.gz JXFZKAPRNYAMLU-NSHDSACASA-N 0 1 255.745 2.656 20 10 CFCDMN COc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC000125682184 377184421 /nfs/dbraw/zinc/18/44/21/377184421.db2.gz XKWMMWMGWVDWEP-KRWDZBQOSA-N 0 1 299.370 2.974 20 10 CFCDMN CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCO2)c(O)c1 ZINC000132968912 377890836 /nfs/dbraw/zinc/89/08/36/377890836.db2.gz IHTZVWZDRMDWAH-OAHLLOKOSA-N 0 1 279.380 2.792 20 10 CFCDMN COc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000133476111 377933225 /nfs/dbraw/zinc/93/32/25/377933225.db2.gz WRTSGAQEHRTDST-KBPBESRZSA-N 0 1 277.364 2.544 20 10 CFCDMN C[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000153751951 378510021 /nfs/dbraw/zinc/51/00/21/378510021.db2.gz IYGCYRRHFPTSGZ-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000153751951 378510026 /nfs/dbraw/zinc/51/00/26/378510026.db2.gz IYGCYRRHFPTSGZ-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000153751951 378510029 /nfs/dbraw/zinc/51/00/29/378510029.db2.gz IYGCYRRHFPTSGZ-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN CCCC[C@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000154548378 378577543 /nfs/dbraw/zinc/57/75/43/378577543.db2.gz CAGWMIHMDBPXQU-LBPRGKRZSA-N 0 1 285.771 2.867 20 10 CFCDMN COC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177285093 380325071 /nfs/dbraw/zinc/32/50/71/380325071.db2.gz KTOMIOZLBDBYSD-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177285093 380325079 /nfs/dbraw/zinc/32/50/79/380325079.db2.gz KTOMIOZLBDBYSD-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN COc1cccc(CN(C)Cc2scnc2C)c1O ZINC000179428581 380543446 /nfs/dbraw/zinc/54/34/46/380543446.db2.gz AGKGNXLKTHJSBN-UHFFFAOYSA-N 0 1 278.377 2.798 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)CC(C)(C)O1 ZINC000179982812 380605357 /nfs/dbraw/zinc/60/53/57/380605357.db2.gz FQXQVBXIRIDSDH-SNVBAGLBSA-N 0 1 253.317 2.531 20 10 CFCDMN C[C@H](O)c1ncc(CN(C)Cc2ccccc2O)s1 ZINC000289091305 381024899 /nfs/dbraw/zinc/02/48/99/381024899.db2.gz LIVNOSHADWBZPP-JTQLQIEISA-N 0 1 278.377 2.534 20 10 CFCDMN CN(C)c1ccc(CNCc2cc(O)cc(F)c2)cc1 ZINC000184134614 381374496 /nfs/dbraw/zinc/37/44/96/381374496.db2.gz OARFOFKKNHJFPH-UHFFFAOYSA-N 0 1 274.339 2.887 20 10 CFCDMN CC(C)c1nc(CN[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000296309137 381342942 /nfs/dbraw/zinc/34/29/42/381342942.db2.gz GHMGBYOTQADCRI-GFCCVEGCSA-N 0 1 287.411 2.845 20 10 CFCDMN CC[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(C)cc1O ZINC000296458554 381404927 /nfs/dbraw/zinc/40/49/27/381404927.db2.gz NDNNVEICADNTOL-ZDUSSCGKSA-N 0 1 286.379 2.937 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)CCOCC2CC2)c1O ZINC000184700871 381462754 /nfs/dbraw/zinc/46/27/54/381462754.db2.gz PTOCEMVVNMEQML-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000185141623 381545714 /nfs/dbraw/zinc/54/57/14/381545714.db2.gz RWZDYFLWIYEPHS-PWSUYJOCSA-N 0 1 268.788 2.790 20 10 CFCDMN COC[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185148618 381546821 /nfs/dbraw/zinc/54/68/21/381546821.db2.gz LOZKZVURYZCGQH-VHSXEESVSA-N 0 1 257.761 2.979 20 10 CFCDMN Cc1c2ccccc2n(C)c1CNc1ncnc2[nH]cnc21 ZINC000359849334 381640559 /nfs/dbraw/zinc/64/05/59/381640559.db2.gz UQRHBCBCDPUPIJ-UHFFFAOYSA-N 0 1 292.346 2.717 20 10 CFCDMN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185522065 381656908 /nfs/dbraw/zinc/65/69/08/381656908.db2.gz JWTUSYMYXDCIFT-DCAQKATOSA-N 0 1 255.333 2.589 20 10 CFCDMN CN1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000359909360 381671873 /nfs/dbraw/zinc/67/18/73/381671873.db2.gz YXXNKVGQUCWZQB-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000185702052 381709594 /nfs/dbraw/zinc/70/95/94/381709594.db2.gz DHBVQHKOTODSAR-DGCLKSJQSA-N 0 1 299.798 2.892 20 10 CFCDMN Cn1cnc2c1CCN(Cc1c(O)ccc3ccccc31)C2 ZINC000371713290 381687015 /nfs/dbraw/zinc/68/70/15/381687015.db2.gz LXBBTBDPXYZOCW-UHFFFAOYSA-N 0 1 293.370 2.837 20 10 CFCDMN Cc1noc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000185971999 381791332 /nfs/dbraw/zinc/79/13/32/381791332.db2.gz DTDVNWVIULHHQO-QMMMGPOBSA-N 0 1 281.743 2.630 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000293570457 382179655 /nfs/dbraw/zinc/17/96/55/382179655.db2.gz IYMQAQNRPGVTDO-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377237567 382240091 /nfs/dbraw/zinc/24/00/91/382240091.db2.gz IPKVLWITJBEQRC-NWDGAFQWSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377237567 382240098 /nfs/dbraw/zinc/24/00/98/382240098.db2.gz IPKVLWITJBEQRC-NWDGAFQWSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377237567 382240105 /nfs/dbraw/zinc/24/01/05/382240105.db2.gz IPKVLWITJBEQRC-NWDGAFQWSA-N 0 1 281.783 2.904 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@H]1c1ncon1 ZINC000365264461 382368072 /nfs/dbraw/zinc/36/80/72/382368072.db2.gz UYLOZHMPYFLUNM-JTQLQIEISA-N 0 1 297.717 2.905 20 10 CFCDMN COc1ccc(O)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294093416 382411856 /nfs/dbraw/zinc/41/18/56/382411856.db2.gz RPAAVFKDXSZMAI-IRXDYDNUSA-N 0 1 289.375 2.544 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378446066 382463032 /nfs/dbraw/zinc/46/30/32/382463032.db2.gz XUULDRGZLPFFAO-NSHDSACASA-N 0 1 292.770 2.543 20 10 CFCDMN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000189400354 382603969 /nfs/dbraw/zinc/60/39/69/382603969.db2.gz MWUDXASPOUOTTF-ZJUUUORDSA-N 0 1 284.787 2.563 20 10 CFCDMN CCC[N@@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000267360691 384367739 /nfs/dbraw/zinc/36/77/39/384367739.db2.gz CHZBYSYWSNFKBM-UHFFFAOYSA-N 0 1 251.370 2.765 20 10 CFCDMN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000268096271 384530179 /nfs/dbraw/zinc/53/01/79/384530179.db2.gz CKYJWACKTWZPFC-QMTHXVAHSA-N 0 1 280.799 2.618 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1F ZINC000279693987 384725327 /nfs/dbraw/zinc/72/53/27/384725327.db2.gz QDMKGOZFYXFREO-INIZCTEOSA-N 0 1 280.387 2.629 20 10 CFCDMN Oc1ccccc1CN(Cc1cccnc1)C[C@H]1CCCO1 ZINC000269666717 384827821 /nfs/dbraw/zinc/82/78/21/384827821.db2.gz VUBYCOAFTZQQOD-QGZVFWFLSA-N 0 1 298.386 2.968 20 10 CFCDMN Cn1nccc1[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000281140811 385185456 /nfs/dbraw/zinc/18/54/56/385185456.db2.gz DSLMTKVDAGKJEC-HNNXBMFYSA-N 0 1 289.354 2.992 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000271244927 385377658 /nfs/dbraw/zinc/37/76/58/385377658.db2.gz BXUDJHCLTUUTIS-PELKAZGASA-N 0 1 290.190 2.902 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271398788 385381669 /nfs/dbraw/zinc/38/16/69/385381669.db2.gz HSYHSOZLEFUXAG-LLVKDONJSA-N 0 1 297.782 2.821 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cc(C)nn2C)cc1 ZINC000283796229 385501057 /nfs/dbraw/zinc/50/10/57/385501057.db2.gz AVOMODUFJQIBIY-UHFFFAOYSA-N 0 1 286.423 2.865 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000286217373 385573221 /nfs/dbraw/zinc/57/32/21/385573221.db2.gz QTOTWGQIXIUNES-MRXNPFEDSA-N 0 1 270.380 2.813 20 10 CFCDMN CC1([C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)OCCO1 ZINC000273184544 385672893 /nfs/dbraw/zinc/67/28/93/385672893.db2.gz OUBKQVBJJPHIAI-ZDUSSCGKSA-N 0 1 295.354 2.506 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000273409039 385681491 /nfs/dbraw/zinc/68/14/91/385681491.db2.gz PENCIRUSAJRYBS-WDEREUQCSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273609229 385691188 /nfs/dbraw/zinc/69/11/88/385691188.db2.gz VHHMTNOTXYMUMZ-NXEZZACHSA-N 0 1 257.761 2.715 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000287075601 385774792 /nfs/dbraw/zinc/77/47/92/385774792.db2.gz OIOXWJLQUMDZHO-VHSXEESVSA-N 0 1 256.777 2.646 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000374379757 393495388 /nfs/dbraw/zinc/49/53/88/393495388.db2.gz YCJLVSNPYKGAKT-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN CC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1cccc(Cl)c1[O-] ZINC000287673482 394208857 /nfs/dbraw/zinc/20/88/57/394208857.db2.gz MGRPFUOOGIEVAR-LBPRGKRZSA-N 0 1 294.786 2.756 20 10 CFCDMN CC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1cccc(Cl)c1[O-] ZINC000287673482 394208859 /nfs/dbraw/zinc/20/88/59/394208859.db2.gz MGRPFUOOGIEVAR-LBPRGKRZSA-N 0 1 294.786 2.756 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](C2CC2)C1 ZINC000365232732 394229744 /nfs/dbraw/zinc/22/97/44/394229744.db2.gz FFFZQEVVCJQSTR-CYBMUJFWSA-N 0 1 285.746 2.796 20 10 CFCDMN C[C@H](NCc1ccccc1O)c1nnc2n1CCCCC2 ZINC000037140676 260069324 /nfs/dbraw/zinc/06/93/24/260069324.db2.gz HCWGVICJGDQPTB-LBPRGKRZSA-N 0 1 286.379 2.561 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000037322916 260159980 /nfs/dbraw/zinc/15/99/80/260159980.db2.gz IKJHFKIFPXBANQ-UHFFFAOYSA-N 0 1 251.301 2.718 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000037322916 260159982 /nfs/dbraw/zinc/15/99/82/260159982.db2.gz IKJHFKIFPXBANQ-UHFFFAOYSA-N 0 1 251.301 2.718 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000368666274 267196539 /nfs/dbraw/zinc/19/65/39/267196539.db2.gz KQVOANWNFOFSTE-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000368666274 267196540 /nfs/dbraw/zinc/19/65/40/267196540.db2.gz KQVOANWNFOFSTE-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN CN(C)[C@]1(C(=O)Nc2ccc(N)cc2)CCc2ccccc21 ZINC000370722649 267342105 /nfs/dbraw/zinc/34/21/05/267342105.db2.gz OLFLUZRLYKRNJJ-GOSISDBHSA-N 0 1 295.386 2.611 20 10 CFCDMN C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000124608923 290317430 /nfs/dbraw/zinc/31/74/30/290317430.db2.gz NVOXMEZSLAALFY-QWHCGFSZSA-N 0 1 280.799 2.714 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000124608923 290317433 /nfs/dbraw/zinc/31/74/33/290317433.db2.gz NVOXMEZSLAALFY-QWHCGFSZSA-N 0 1 280.799 2.714 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000124608923 290317434 /nfs/dbraw/zinc/31/74/34/290317434.db2.gz NVOXMEZSLAALFY-QWHCGFSZSA-N 0 1 280.799 2.714 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527740697 330282733 /nfs/dbraw/zinc/28/27/33/330282733.db2.gz UAHQBDWUIKMCCF-LLVKDONJSA-N 0 1 269.772 2.952 20 10 CFCDMN CC[C@@H](NCc1cnn(CC)n1)c1ccc(C)cc1O ZINC000527921959 330295896 /nfs/dbraw/zinc/29/58/96/330295896.db2.gz ASGNHEGGBRKRJL-CQSZACIVSA-N 0 1 274.368 2.553 20 10 CFCDMN C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1[O-] ZINC000527976934 330302127 /nfs/dbraw/zinc/30/21/27/330302127.db2.gz DSVWQSCXEPMJTJ-NAUIOFCNSA-N 0 1 267.756 2.875 20 10 CFCDMN CCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278142055 521037276 /nfs/dbraw/zinc/03/72/76/521037276.db2.gz BDAJYDVTMJFBOQ-JTQLQIEISA-N 0 1 282.340 2.929 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000079464946 518283789 /nfs/dbraw/zinc/28/37/89/518283789.db2.gz JIVVTQQFSGQILM-UHFFFAOYSA-N 0 1 251.301 2.718 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCC2)c1[O-] ZINC000079464946 518283795 /nfs/dbraw/zinc/28/37/95/518283795.db2.gz JIVVTQQFSGQILM-UHFFFAOYSA-N 0 1 251.301 2.718 20 10 CFCDMN CC(C)(C)OC(=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000266147063 518789803 /nfs/dbraw/zinc/78/98/03/518789803.db2.gz JCNCKFMDJKJYKH-UHFFFAOYSA-N 0 1 285.771 2.867 20 10 CFCDMN CC(C)c1cc(C(=O)N(C)Cc2ccccc2O)n[nH]1 ZINC000048606782 519831132 /nfs/dbraw/zinc/83/11/32/519831132.db2.gz GCUMPGMIOCNSBW-UHFFFAOYSA-N 0 1 273.336 2.511 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278334932 521870711 /nfs/dbraw/zinc/87/07/11/521870711.db2.gz ZTQWVKYLHXEYFM-GHMZBOCLSA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278251126 521872582 /nfs/dbraw/zinc/87/25/82/521872582.db2.gz PCHWCTJMMSEUCP-SNVBAGLBSA-N 0 1 280.324 2.541 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325884 521875073 /nfs/dbraw/zinc/87/50/73/521875073.db2.gz YRKHWFVUTVJJEX-WDEREUQCSA-N 0 1 294.351 2.787 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000278225532 521876869 /nfs/dbraw/zinc/87/68/69/521876869.db2.gz MCPODSSUNDRCHD-JTQLQIEISA-N 0 1 294.351 2.929 20 10 CFCDMN C[N@@H+](CCCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000276639103 522739873 /nfs/dbraw/zinc/73/98/73/522739873.db2.gz KOAMADBYVJQCID-UHFFFAOYSA-N 0 1 278.179 2.903 20 10 CFCDMN COCC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000291693790 522810960 /nfs/dbraw/zinc/81/09/60/522810960.db2.gz JIXNKFBUPGQGIR-UHFFFAOYSA-N 0 1 257.761 2.808 20 10 CFCDMN CCc1noc(C)c1CNCc1ccc2c(c1)CCO2 ZINC000292834837 522846776 /nfs/dbraw/zinc/84/67/76/522846776.db2.gz ATFUWUMFZCGLQI-UHFFFAOYSA-N 0 1 272.348 2.770 20 10 CFCDMN C[N@H+]1CC[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000366534762 523977258 /nfs/dbraw/zinc/97/72/58/523977258.db2.gz LUXWEPWUIMNXGO-OAHLLOKOSA-N 0 1 298.789 2.712 20 10 CFCDMN COc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000071711648 524434721 /nfs/dbraw/zinc/43/47/21/524434721.db2.gz NRQWTMGFJJOJGT-OAHLLOKOSA-N 0 1 297.402 2.973 20 10 CFCDMN Cc1cccc(CNCc2noc3c2CCCC3)c1O ZINC000290219724 524434700 /nfs/dbraw/zinc/43/47/00/524434700.db2.gz ROUIRBGNILVEFF-UHFFFAOYSA-N 0 1 272.348 2.857 20 10 CFCDMN Cc1cccc(CN[C@H](C)c2nnc3ccccn32)c1O ZINC000158084823 524441450 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CFCDMN C[C@H]([NH2+]CCNc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000756646733 574255145 /nfs/dbraw/zinc/25/51/45/574255145.db2.gz OKYSYJFVARQXDL-JTQLQIEISA-N 0 1 292.770 2.598 20 10 CFCDMN C[C@@H](NCc1ccc(F)cn1)c1cc(F)ccc1O ZINC000756657215 574255822 /nfs/dbraw/zinc/25/58/22/574255822.db2.gz BOGPWLPBVQDUJQ-SECBINFHSA-N 0 1 264.275 2.916 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cccc(F)n2)c1 ZINC000756770842 574261856 /nfs/dbraw/zinc/26/18/56/574261856.db2.gz XVNPZBTYVAOFRE-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1[O-] ZINC000756771288 574261914 /nfs/dbraw/zinc/26/19/14/574261914.db2.gz UHEVQPDMVRJUCX-DLOVCJGASA-N 0 1 269.772 3.000 20 10 CFCDMN Nc1ccnc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000749513133 574298311 /nfs/dbraw/zinc/29/83/11/574298311.db2.gz AAPVGXVPIWOKMB-UHFFFAOYSA-N 0 1 298.390 2.709 20 10 CFCDMN CN(Cc1c(O)ccc(Cl)c1F)CC(F)F ZINC000792163773 629404082 /nfs/dbraw/zinc/40/40/82/629404082.db2.gz CMFOFILGDAHXOM-UHFFFAOYSA-N 0 1 253.651 2.882 20 10 CFCDMN 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0 1 267.369 2.887 20 10 CFCDMN COC(C)(C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000932370231 617693815 /nfs/dbraw/zinc/69/38/15/617693815.db2.gz RDSWFSUBOJUOSO-JTQLQIEISA-N 0 1 283.343 2.637 20 10 CFCDMN CC[C@H](NCc1ccn(CC)n1)c1ccccc1O ZINC000840840772 617724352 /nfs/dbraw/zinc/72/43/52/617724352.db2.gz OFZVIMNJABWMMY-AWEZNQCLSA-N 0 1 259.353 2.850 20 10 CFCDMN COc1ccc(CN(C)Cc2ccoc2C)c(O)c1OC ZINC000891792288 617755288 /nfs/dbraw/zinc/75/52/88/617755288.db2.gz FNNBXOGNMIBMQB-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763390 617843491 /nfs/dbraw/zinc/84/34/91/617843491.db2.gz UYXFMAWSJKAQDM-CYBMUJFWSA-N 0 1 296.798 2.535 20 10 CFCDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763390 617843496 /nfs/dbraw/zinc/84/34/96/617843496.db2.gz UYXFMAWSJKAQDM-CYBMUJFWSA-N 0 1 296.798 2.535 20 10 CFCDMN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000045723449 618048308 /nfs/dbraw/zinc/04/83/08/618048308.db2.gz 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/nfs/dbraw/zinc/31/07/93/618310793.db2.gz PPGIEMPCKHJOLG-UHFFFAOYSA-N 0 1 285.343 2.926 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000894088990 618317550 /nfs/dbraw/zinc/31/75/50/618317550.db2.gz NPURFAAANYOGBR-QMTHXVAHSA-N 0 1 283.318 2.671 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840915922 618466870 /nfs/dbraw/zinc/46/68/70/618466870.db2.gz HOXZFZOZYOUGPA-NSHDSACASA-N 0 1 297.782 2.882 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840915922 618466874 /nfs/dbraw/zinc/46/68/74/618466874.db2.gz HOXZFZOZYOUGPA-NSHDSACASA-N 0 1 297.782 2.882 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000182332631 625285199 /nfs/dbraw/zinc/28/51/99/625285199.db2.gz BAZBOQKDETTYPU-CABCVRRESA-N 0 1 295.354 2.781 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000840891007 618726745 /nfs/dbraw/zinc/72/67/45/618726745.db2.gz QBDDKSGNPACDSF-GWCFXTLKSA-N 0 1 298.814 2.999 20 10 CFCDMN 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ZINC000840997799 620116431 /nfs/dbraw/zinc/11/64/31/620116431.db2.gz HNPJQJFKGYOYAS-WAYWQWQTSA-N 0 1 276.380 2.562 20 10 CFCDMN CC(C)(C)c1coc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC000898301267 620368131 /nfs/dbraw/zinc/36/81/31/620368131.db2.gz YXDWRZCGBZVHGZ-UHFFFAOYSA-N 0 1 294.282 2.775 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(Cl)c1 ZINC000898381056 620379000 /nfs/dbraw/zinc/37/90/00/620379000.db2.gz YBXBMUTZZRZZCG-GXTWGEPZSA-N 0 1 281.783 2.869 20 10 CFCDMN C[C@@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)c1ccccc1O ZINC000899181928 620528444 /nfs/dbraw/zinc/52/84/44/620528444.db2.gz OROHWBNPBHFPFU-GHMZBOCLSA-N 0 1 299.374 2.731 20 10 CFCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@H]1CO)CCCC3 ZINC000902631234 621139404 /nfs/dbraw/zinc/13/94/04/621139404.db2.gz WCOMSTWBQCHASO-NSHDSACASA-N 0 1 287.359 2.584 20 10 CFCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@H]1CO)CCCC3 ZINC000902631234 621139405 /nfs/dbraw/zinc/13/94/05/621139405.db2.gz WCOMSTWBQCHASO-NSHDSACASA-N 0 1 287.359 2.584 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H](c2nncn2C)C(C)C)c1 ZINC000903062993 621237673 /nfs/dbraw/zinc/23/76/73/621237673.db2.gz APHAGYIAVHKVMR-SWLSCSKDSA-N 0 1 288.395 2.877 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000822520824 623121015 /nfs/dbraw/zinc/12/10/15/623121015.db2.gz PRPODTLCAOYCGQ-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN CN(C)c1ccc(CNCc2ccncc2F)cc1 ZINC000823609296 623361340 /nfs/dbraw/zinc/36/13/40/623361340.db2.gz SVFNNKYOOUDMNW-UHFFFAOYSA-N 0 1 259.328 2.577 20 10 CFCDMN C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccco1 ZINC000174530887 623426216 /nfs/dbraw/zinc/42/62/16/623426216.db2.gz KKSDBPDVXJKXEX-CQSZACIVSA-N 0 1 281.739 2.636 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)F ZINC000824637461 623536592 /nfs/dbraw/zinc/53/65/92/623536592.db2.gz XJKHIOBKELZRRV-MWLCHTKSSA-N 0 1 279.714 2.540 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@H](C)O)C(C)C)cc1Cl ZINC000824725556 623552928 /nfs/dbraw/zinc/55/29/28/623552928.db2.gz DBUBMFMTWKWCFY-NSHDSACASA-N 0 1 271.788 2.945 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@H](C)O)C(C)C)cc1Cl ZINC000824725556 623552936 /nfs/dbraw/zinc/55/29/36/623552936.db2.gz DBUBMFMTWKWCFY-NSHDSACASA-N 0 1 271.788 2.945 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000824815569 623571403 /nfs/dbraw/zinc/57/14/03/623571403.db2.gz TYTXBSHQDFHTAH-GXFFZTMASA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)cc1Cl ZINC000824905737 623586122 /nfs/dbraw/zinc/58/61/22/623586122.db2.gz BIKYQVVHZXBANV-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)cc1Cl ZINC000824905737 623586126 /nfs/dbraw/zinc/58/61/26/623586126.db2.gz BIKYQVVHZXBANV-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN CCOc1cccc(CN[C@@H](C)c2nccn2CC)c1O ZINC000825004935 623603373 /nfs/dbraw/zinc/60/33/73/623603373.db2.gz AJVCWKHNYNUUDG-LBPRGKRZSA-N 0 1 289.379 2.858 20 10 CFCDMN CCn1ccnc1[C@H](C)NCc1cccc(C)c1O ZINC000825005541 623604641 /nfs/dbraw/zinc/60/46/41/623604641.db2.gz OCPQJWWQLUIMPA-LBPRGKRZSA-N 0 1 259.353 2.768 20 10 CFCDMN CCc1ncc(CNCc2cc(C)c(C)cc2O)o1 ZINC000825079532 623624755 /nfs/dbraw/zinc/62/47/55/623624755.db2.gz VVDFORLSUSAFPC-UHFFFAOYSA-N 0 1 260.337 2.849 20 10 CFCDMN CCCc1ncc(CNCc2cc(OC)ccc2O)o1 ZINC000825086758 623625544 /nfs/dbraw/zinc/62/55/44/623625544.db2.gz VPDMQJOFURBKDK-UHFFFAOYSA-N 0 1 276.336 2.631 20 10 CFCDMN COCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825197327 623648872 /nfs/dbraw/zinc/64/88/72/623648872.db2.gz KOJAIHQQPMTNSY-UHFFFAOYSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(CC3CC3)C2)cc1Cl ZINC000825254617 623659679 /nfs/dbraw/zinc/65/96/79/623659679.db2.gz SSHRUTPZYRSYJS-AWEZNQCLSA-N 0 1 294.826 2.928 20 10 CFCDMN CCC(CC)(CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825277855 623663247 /nfs/dbraw/zinc/66/32/47/623663247.db2.gz HAYPDWKPZWMNQC-UHFFFAOYSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOc2cccnc2)cc1Cl ZINC000825283788 623663314 /nfs/dbraw/zinc/66/33/14/623663314.db2.gz TXDPCSJWSKAAQN-UHFFFAOYSA-N 0 1 292.766 2.918 20 10 CFCDMN C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825536907 623711023 /nfs/dbraw/zinc/71/10/23/623711023.db2.gz OPTVXOOAAWKTBL-VSQXVHSFSA-N 0 1 269.772 2.771 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1Cl ZINC000825566902 623716646 /nfs/dbraw/zinc/71/66/46/623716646.db2.gz BTOAISKKALGKEI-GXFFZTMASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1Cl ZINC000825566902 623716653 /nfs/dbraw/zinc/71/66/53/623716653.db2.gz BTOAISKKALGKEI-GXFFZTMASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(C)OCCCO2)cc1Cl ZINC000825691798 623740842 /nfs/dbraw/zinc/74/08/42/623740842.db2.gz BPPQDIZRTOKNKP-UHFFFAOYSA-N 0 1 285.771 2.597 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2(CN(C)C)CCC2)cc1Cl ZINC000825768661 623752914 /nfs/dbraw/zinc/75/29/14/623752914.db2.gz UNFPAABWAOBLFX-UHFFFAOYSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)cc1Cl ZINC000825882486 623765667 /nfs/dbraw/zinc/76/56/67/623765667.db2.gz KALYVWFFJDPAEA-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)cc1Cl ZINC000825882486 623765673 /nfs/dbraw/zinc/76/56/73/623765673.db2.gz KALYVWFFJDPAEA-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2=CCCOC2)cc1Cl ZINC000825939887 623772396 /nfs/dbraw/zinc/77/23/96/623772396.db2.gz IRNAOMFSLRQJAA-UHFFFAOYSA-N 0 1 267.756 2.790 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@](C)(CO)C(C)C)cc1Cl ZINC000825948999 623774859 /nfs/dbraw/zinc/77/48/59/623774859.db2.gz NYVFUTAKLSOMLR-CQSZACIVSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1Cl ZINC000825955577 623775629 /nfs/dbraw/zinc/77/56/29/623775629.db2.gz OTTYQKWNKKOXLY-ZDUSSCGKSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)cc1Cl ZINC000825955577 623775633 /nfs/dbraw/zinc/77/56/33/623775633.db2.gz OTTYQKWNKKOXLY-ZDUSSCGKSA-N 0 1 291.782 2.998 20 10 CFCDMN COC[C@@H]1CCN1Cc1cc(Cl)c(C)cc1O ZINC000826012852 623781813 /nfs/dbraw/zinc/78/18/13/623781813.db2.gz QRDPZEXJZDEJHI-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc(O)c(CN[C@@H]2CCn3ccnc32)cc1Cl ZINC000826030146 623784567 /nfs/dbraw/zinc/78/45/67/623784567.db2.gz PUGNEECXQFMVST-GFCCVEGCSA-N 0 1 277.755 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)CCCO)cc1Cl ZINC000826036390 623785678 /nfs/dbraw/zinc/78/56/78/623785678.db2.gz HTXUBGMUYYYHIJ-SNVBAGLBSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1Cl ZINC000826130048 623796504 /nfs/dbraw/zinc/79/65/04/623796504.db2.gz DFVACHHTLOAEGF-JQWIXIFHSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)cc1Cl ZINC000826130048 623796506 /nfs/dbraw/zinc/79/65/06/623796506.db2.gz DFVACHHTLOAEGF-JQWIXIFHSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(CO)CCC2)cc1Cl ZINC000826142607 623797476 /nfs/dbraw/zinc/79/74/76/623797476.db2.gz GLFXSKOZFTUNAB-UHFFFAOYSA-N 0 1 283.799 2.996 20 10 CFCDMN 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DEOIVAPGVCGLQH-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN CCc1cccc(CN[C@H](C)c2nccn2C)c1O ZINC000827722292 624077044 /nfs/dbraw/zinc/07/70/44/624077044.db2.gz FJZGMNDQSPZMKA-LLVKDONJSA-N 0 1 259.353 2.539 20 10 CFCDMN C[C@@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1O ZINC000827952495 624137193 /nfs/dbraw/zinc/13/71/93/624137193.db2.gz VLCWGXJQZLEUQF-IUODEOHRSA-N 0 1 288.391 2.586 20 10 CFCDMN CCN(C)c1ccc(CN(C(C)C)C2COC2)cc1 ZINC000830220771 624673957 /nfs/dbraw/zinc/67/39/57/624673957.db2.gz HLLJNZOGLCPXJK-UHFFFAOYSA-N 0 1 262.397 2.752 20 10 CFCDMN Cc1cc(CN(C(C)C)C2COC2)ccc1N(C)C ZINC000830220833 624675208 /nfs/dbraw/zinc/67/52/08/624675208.db2.gz IHXCGUZZPMAJPP-UHFFFAOYSA-N 0 1 262.397 2.670 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000830696621 624816822 /nfs/dbraw/zinc/81/68/22/624816822.db2.gz IINIKTWKCMWDDK-UHFFFAOYSA-N 0 1 299.798 2.699 20 10 CFCDMN C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179663420 624972568 /nfs/dbraw/zinc/97/25/68/624972568.db2.gz 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[O-]c1c(C[NH2+][C@@H]2CCC[C@H]2O)ccc2ccccc21 ZINC000839129659 626527582 /nfs/dbraw/zinc/52/75/82/626527582.db2.gz NWIBQXPYIYOYJY-HUUCEWRRSA-N 0 1 257.333 2.548 20 10 CFCDMN CN(C)c1ccc(/C=C/CN2CC3(C2)CCCOC3)cc1 ZINC000839138743 626528271 /nfs/dbraw/zinc/52/82/71/626528271.db2.gz SMWKMCPLTZUGTE-HWKANZROSA-N 0 1 286.419 2.878 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193763 626531033 /nfs/dbraw/zinc/53/10/33/626531033.db2.gz XSPZPYXSFGEHRY-IUCAKERBSA-N 0 1 273.760 2.874 20 10 CFCDMN CCOc1ccc(CN(C)Cc2cccnc2)c(O)c1 ZINC000757871311 626566148 /nfs/dbraw/zinc/56/61/48/626566148.db2.gz JGYZBQNRDJPVJU-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN CN(Cc1nccn1C)Cc1cc(Cl)cc(F)c1O ZINC000761215934 626816853 /nfs/dbraw/zinc/81/68/53/626816853.db2.gz KOXVILHBMDAUKU-UHFFFAOYSA-N 0 1 283.734 2.550 20 10 CFCDMN Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCO3)c(C)n1 ZINC000765610449 627150555 /nfs/dbraw/zinc/15/05/55/627150555.db2.gz UYXAMLWSCUWNIX-LLVKDONJSA-N 0 1 283.375 2.879 20 10 CFCDMN 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/nfs/dbraw/zinc/10/67/98/631106798.db2.gz PSVCVTFLBZBMQV-RYUDHWBXSA-N 0 1 272.373 2.630 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCn2ccnc2)c(Cl)c1 ZINC000840874274 631248070 /nfs/dbraw/zinc/24/80/70/631248070.db2.gz YMNSCSVGQZUPGZ-UHFFFAOYSA-N 0 1 279.771 2.730 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCOC2)c(Cl)c1 ZINC000840895212 631254251 /nfs/dbraw/zinc/25/42/51/631254251.db2.gz YUVMYTKYZZXZDT-JTQLQIEISA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCOC2)c(Cl)c1 ZINC000840900102 631255256 /nfs/dbraw/zinc/25/52/56/631255256.db2.gz VKVUEIOQASIKNY-AWEZNQCLSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H](C)CO)c(Cl)c1 ZINC000840906852 631258475 /nfs/dbraw/zinc/25/84/75/631258475.db2.gz JKIUENIAAZTMSN-JTQLQIEISA-N 0 1 271.788 2.852 20 10 CFCDMN CC[C@@H](O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840909399 631259846 /nfs/dbraw/zinc/25/98/46/631259846.db2.gz RKXZWJKPWPGRBU-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840911410 631260973 /nfs/dbraw/zinc/26/09/73/631260973.db2.gz ZQEBMUBKOCMQPB-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911410 631260977 /nfs/dbraw/zinc/26/09/77/631260977.db2.gz ZQEBMUBKOCMQPB-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911410 631260978 /nfs/dbraw/zinc/26/09/78/631260978.db2.gz ZQEBMUBKOCMQPB-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000840910822 631261712 /nfs/dbraw/zinc/26/17/12/631261712.db2.gz SJSCPVDTAXOWPZ-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)OC[C@H]1C ZINC000840910822 631261722 /nfs/dbraw/zinc/26/17/22/631261722.db2.gz SJSCPVDTAXOWPZ-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C)[C@H]1C ZINC000840916009 631262728 /nfs/dbraw/zinc/26/27/28/631262728.db2.gz VMJWUJSQIWZNKA-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000840920681 631265961 /nfs/dbraw/zinc/26/59/61/631265961.db2.gz YHADYAJZTWTYMS-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000840920681 631265964 /nfs/dbraw/zinc/26/59/64/631265964.db2.gz YHADYAJZTWTYMS-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN CCc1nc([C@@H](C)NCc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840936541 631268530 /nfs/dbraw/zinc/26/85/30/631268530.db2.gz KNAUEBDSVHJHNN-GFCCVEGCSA-N 0 1 287.411 2.592 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(Cl)c1 ZINC000840938689 631270039 /nfs/dbraw/zinc/27/00/39/631270039.db2.gz QJKSUWRMVAMQGD-CHWSQXEVSA-N 0 1 269.772 2.603 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCC2)c(Cl)c1 ZINC000840939002 631270310 /nfs/dbraw/zinc/27/03/10/631270310.db2.gz JCNXHNWXMDQTKD-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCC2)c(Cl)c1 ZINC000840939002 631270319 /nfs/dbraw/zinc/27/03/19/631270319.db2.gz JCNXHNWXMDQTKD-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1ccsc1 ZINC000840937589 631270601 /nfs/dbraw/zinc/27/06/01/631270601.db2.gz KIXFXNDEMATCEQ-INIZCTEOSA-N 0 1 290.432 2.946 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)[C@@H]1C ZINC000840942221 631273517 /nfs/dbraw/zinc/27/35/17/631273517.db2.gz VUUQMKWJOWIPEG-GHMZBOCLSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)[C@@H]1C ZINC000840942221 631273523 /nfs/dbraw/zinc/27/35/23/631273523.db2.gz VUUQMKWJOWIPEG-GHMZBOCLSA-N 0 1 297.782 2.737 20 10 CFCDMN CO[C@@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840946018 631275382 /nfs/dbraw/zinc/27/53/82/631275382.db2.gz FYGOLWUTKWIUND-JTQLQIEISA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840946018 631275388 /nfs/dbraw/zinc/27/53/88/631275388.db2.gz FYGOLWUTKWIUND-JTQLQIEISA-N 0 1 257.761 2.821 20 10 CFCDMN CC[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840948350 631277143 /nfs/dbraw/zinc/27/71/43/631277143.db2.gz UAJQDJJIARIHBW-SNVBAGLBSA-N 0 1 257.761 2.869 20 10 CFCDMN CC[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H](C)O ZINC000840950723 631278836 /nfs/dbraw/zinc/27/88/36/631278836.db2.gz NJCBMUMXIXTXMS-CABZTGNLSA-N 0 1 257.761 2.603 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CCOCC1 ZINC000110904293 634848774 /nfs/dbraw/zinc/84/87/74/634848774.db2.gz USNVYYFDRRGZIB-UHFFFAOYSA-N 0 1 255.745 2.562 20 10 CFCDMN COCCCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000841690264 631452383 /nfs/dbraw/zinc/45/23/83/631452383.db2.gz DRGBFJGWMJIFGX-UHFFFAOYSA-N 0 1 274.364 2.799 20 10 CFCDMN COCCCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000841690264 631452388 /nfs/dbraw/zinc/45/23/88/631452388.db2.gz DRGBFJGWMJIFGX-UHFFFAOYSA-N 0 1 274.364 2.799 20 10 CFCDMN C[C@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000841743552 631463256 /nfs/dbraw/zinc/46/32/56/631463256.db2.gz AXYFDWSNAORTJN-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCOC1 ZINC000841754122 631466762 /nfs/dbraw/zinc/46/67/62/631466762.db2.gz ZKSIAHVLOOQFMM-HZMBPMFUSA-N 0 1 285.771 2.502 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841763243 631469227 /nfs/dbraw/zinc/46/92/27/631469227.db2.gz LONHYICMZAOAEP-WCQYABFASA-N 0 1 299.798 2.892 20 10 CFCDMN Oc1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)[C@@H](O)CO2 ZINC000842618793 631682134 /nfs/dbraw/zinc/68/21/34/631682134.db2.gz QQAPIRJGFOOXDC-PJODQICGSA-N 0 1 289.375 2.583 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000812295556 631685836 /nfs/dbraw/zinc/68/58/36/631685836.db2.gz HRNLOFLSAZIZNG-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000812295556 631685840 /nfs/dbraw/zinc/68/58/40/631685840.db2.gz HRNLOFLSAZIZNG-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842755494 631729509 /nfs/dbraw/zinc/72/95/09/631729509.db2.gz ZTWDABFDHULCQO-MFKMUULPSA-N 0 1 271.788 2.932 20 10 CFCDMN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842755496 631730316 /nfs/dbraw/zinc/73/03/16/631730316.db2.gz ZTWDABFDHULCQO-ZWNOBZJWSA-N 0 1 271.788 2.932 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000842929228 631783832 /nfs/dbraw/zinc/78/38/32/631783832.db2.gz NHVXSDVITKUPRF-KKZNHRDASA-N 0 1 255.745 2.874 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000843041138 631810879 /nfs/dbraw/zinc/81/08/79/631810879.db2.gz OVQHOTUKXZVCTM-QMTHXVAHSA-N 0 1 277.364 2.552 20 10 CFCDMN C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843051509 631816297 /nfs/dbraw/zinc/81/62/97/631816297.db2.gz JOWREBOYFNJNBL-NXEZZACHSA-N 0 1 286.778 2.744 20 10 CFCDMN COC/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683773 631949300 /nfs/dbraw/zinc/94/93/00/631949300.db2.gz CHOYUVDDDWSVNE-NSCUHMNNSA-N 0 1 290.146 2.518 20 10 CFCDMN CC(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684364 631949654 /nfs/dbraw/zinc/94/96/54/631949654.db2.gz OYKRWTUYZKKXBN-UHFFFAOYSA-N 0 1 290.146 2.684 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2ccc(C)cn2)cc1 ZINC000844400470 632194734 /nfs/dbraw/zinc/19/47/34/632194734.db2.gz CFYNSVPZHMFPJE-UHFFFAOYSA-N 0 1 299.418 2.967 20 10 CFCDMN COc1cccc(O)c1CNc1cc2c(cn1)CCC2 ZINC000815159284 632220109 /nfs/dbraw/zinc/22/01/09/632220109.db2.gz PNVKKPGWKDTZEB-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN C[C@H](NCC(C)(F)F)c1cc(F)cc(F)c1O ZINC000815644853 632304506 /nfs/dbraw/zinc/30/45/06/632304506.db2.gz NNQZGCASNCRRGV-LURJTMIESA-N 0 1 251.223 2.976 20 10 CFCDMN CC[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816493336 632469520 /nfs/dbraw/zinc/46/95/20/632469520.db2.gz XJQFXUFFLSXFJG-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(C[NH2+]CCn2cccn2)ccc2ccccc21 ZINC000816537337 632480583 /nfs/dbraw/zinc/48/05/83/632480583.db2.gz AMNYYQOSQQRPRI-UHFFFAOYSA-N 0 1 267.332 2.532 20 10 CFCDMN Cc1noc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816548881 632482202 /nfs/dbraw/zinc/48/22/02/632482202.db2.gz WFKRHYBAFUAPPR-UHFFFAOYSA-N 0 1 297.358 2.959 20 10 CFCDMN C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566535 632487027 /nfs/dbraw/zinc/48/70/27/632487027.db2.gz YELDJVROPNZCDF-TZMCWYRMSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566535 632487028 /nfs/dbraw/zinc/48/70/28/632487028.db2.gz YELDJVROPNZCDF-TZMCWYRMSA-N 0 1 271.360 2.748 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1(O)CCC1 ZINC000816569732 632487668 /nfs/dbraw/zinc/48/76/68/632487668.db2.gz VAQPTXYKXXMFHM-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571420 632487823 /nfs/dbraw/zinc/48/78/23/632487823.db2.gz CYFWUUIFKBQGMM-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C(N)=O)C1 ZINC000816574582 632487950 /nfs/dbraw/zinc/48/79/50/632487950.db2.gz MRUCXJCVMKPOME-MLGOLLRUSA-N 0 1 298.386 2.631 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C(N)=O)C1 ZINC000816574582 632487953 /nfs/dbraw/zinc/48/79/53/632487953.db2.gz MRUCXJCVMKPOME-MLGOLLRUSA-N 0 1 298.386 2.631 20 10 CFCDMN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816574931 632489224 /nfs/dbraw/zinc/48/92/24/632489224.db2.gz WYMYYZPCCZELKK-HUUCEWRRSA-N 0 1 271.360 2.794 20 10 CFCDMN CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816598142 632491485 /nfs/dbraw/zinc/49/14/85/632491485.db2.gz RBHAOEQGXCURLT-GOSISDBHSA-N 0 1 298.386 2.503 20 10 CFCDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816598142 632491493 /nfs/dbraw/zinc/49/14/93/632491493.db2.gz RBHAOEQGXCURLT-GOSISDBHSA-N 0 1 298.386 2.503 20 10 CFCDMN COC[C@H]1CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816636782 632498763 /nfs/dbraw/zinc/49/87/63/632498763.db2.gz HNOCGWKCJCISKK-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN COC[C@H]1CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816636782 632498768 /nfs/dbraw/zinc/49/87/68/632498768.db2.gz HNOCGWKCJCISKK-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000846059119 632626337 /nfs/dbraw/zinc/62/63/37/632626337.db2.gz YPLZBLVBSBLUQW-NSHDSACASA-N 0 1 283.799 2.886 20 10 CFCDMN COC1([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000817420102 632628507 /nfs/dbraw/zinc/62/85/07/632628507.db2.gz OFDZTCFNAIFNHW-LLVKDONJSA-N 0 1 299.798 2.719 20 10 CFCDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881441 632717022 /nfs/dbraw/zinc/71/70/22/632717022.db2.gz SJWABOVLZAWCPN-ONGXEEELSA-N 0 1 283.755 2.731 20 10 CFCDMN C[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639699 633305696 /nfs/dbraw/zinc/30/56/96/633305696.db2.gz JLJBBSJVOOLUHQ-ZMLRMANQSA-N 0 1 295.354 2.756 20 10 CFCDMN Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1O ZINC000848639768 633305939 /nfs/dbraw/zinc/30/59/39/633305939.db2.gz LGHCXEPPNSUYGK-UHFFFAOYSA-N 0 1 283.755 2.793 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CC2(CC2(F)F)C1 ZINC000848920745 633403282 /nfs/dbraw/zinc/40/32/82/633403282.db2.gz HVGRPKUWLONIMC-UHFFFAOYSA-N 0 1 266.335 2.902 20 10 CFCDMN C[C@@H](O)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000848928430 633410835 /nfs/dbraw/zinc/41/08/35/633410835.db2.gz DANUQZCKVAYMDH-MRVPVSSYSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Cl)ccc2[O-])C1 ZINC000849049582 633481121 /nfs/dbraw/zinc/48/11/21/633481121.db2.gz SDHLUCUDONAYLJ-SNVBAGLBSA-N 0 1 281.787 2.802 20 10 CFCDMN COc1ccc(N2CC[C@H](NCc3nccs3)C2)cc1 ZINC000850345752 633947921 /nfs/dbraw/zinc/94/79/21/633947921.db2.gz JQHOOIOHNAGFQB-LBPRGKRZSA-N 0 1 289.404 2.520 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2c(O)ccc(Cl)c2F)c2ncnn21 ZINC000850352480 633951968 /nfs/dbraw/zinc/95/19/68/633951968.db2.gz YGQQBCPSHDXQSF-GMSGAONNSA-N 0 1 296.733 2.572 20 10 CFCDMN C[C@@H](NCc1cc(Cl)ccc1O)c1nccn1C ZINC000850410153 633981604 /nfs/dbraw/zinc/98/16/04/633981604.db2.gz OGYKCYBEYDGZSA-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN Cc1cc(O)c(CN[C@H](C)c2nccn2C)cc1C ZINC000850410463 633981779 /nfs/dbraw/zinc/98/17/79/633981779.db2.gz UYJHYAKHRZFTFV-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC000850484743 634013756 /nfs/dbraw/zinc/01/37/56/634013756.db2.gz PPJIFZUAOBJUNX-JRPNMDOOSA-N 0 1 299.798 2.748 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)OCCF ZINC000859162246 636479686 /nfs/dbraw/zinc/47/96/86/636479686.db2.gz XCOLQDVPSPHRQQ-UHFFFAOYSA-N 0 1 282.098 2.895 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)C[C@H]2CCC[C@H]2O)cc1F ZINC000862251651 637301358 /nfs/dbraw/zinc/30/13/58/637301358.db2.gz KHOCOAPQNUHFEQ-BDJLRTHQSA-N 0 1 298.377 2.624 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](CO)CC2)cc1F ZINC000862381180 637346791 /nfs/dbraw/zinc/34/67/91/637346791.db2.gz XSKNZORWHFWHOA-LBPRGKRZSA-N 0 1 298.377 2.625 20 10 CFCDMN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000862468384 637394237 /nfs/dbraw/zinc/39/42/37/637394237.db2.gz WMTAHEJMKPBQLT-GFCCVEGCSA-N 0 1 295.766 2.705 20 10 CFCDMN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000863484992 637676064 /nfs/dbraw/zinc/67/60/64/637676064.db2.gz RCZZVQQZYNHMFF-KWQFWETISA-N 0 1 289.206 2.929 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(Cl)c1 ZINC000865695984 638519687 /nfs/dbraw/zinc/51/96/87/638519687.db2.gz PMFXHFXQDFFENW-SQXIKUFJSA-N 0 1 293.794 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(Cl)c1 ZINC000865695983 638519864 /nfs/dbraw/zinc/51/98/64/638519864.db2.gz PMFXHFXQDFFENW-DLFLCNGJSA-N 0 1 293.794 2.867 20 10 CFCDMN CC(=O)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000872798310 641939968 /nfs/dbraw/zinc/93/99/68/641939968.db2.gz LOYGYWFXYHSSDR-UHFFFAOYSA-N 0 1 284.359 2.741 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H](C)c2nccnc2C)c1 ZINC000873189587 642056975 /nfs/dbraw/zinc/05/69/75/642056975.db2.gz QPGHSUWYCZNBDN-LBPRGKRZSA-N 0 1 287.363 2.740 20 10 CFCDMN CCN1CCC([N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000124524425 642211430 /nfs/dbraw/zinc/21/14/30/642211430.db2.gz XWADQENUMDXJFE-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN O=C([O-])CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000874041967 642324829 /nfs/dbraw/zinc/32/48/29/642324829.db2.gz NZZBUPQEKUFHNO-UHFFFAOYSA-N 0 1 275.707 2.529 20 10 CFCDMN [O-]c1c(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc(F)c1F ZINC000876570723 642928355 /nfs/dbraw/zinc/92/83/55/642928355.db2.gz MPSXEBVMKUIHNJ-SNVBAGLBSA-N 0 1 283.318 2.671 20 10 CFCDMN C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764873 642999303 /nfs/dbraw/zinc/99/93/03/642999303.db2.gz OSGCDYBLSBVHPO-CMPLNLGQSA-N 0 1 284.350 2.585 20 10 CFCDMN Cc1ccc(C[N@@H+](C)CCc2nccs2)c(O)c1 ZINC000876790835 643010459 /nfs/dbraw/zinc/01/04/59/643010459.db2.gz ZORNTBJTPXIKQY-UHFFFAOYSA-N 0 1 262.378 2.832 20 10 CFCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877139694 643174106 /nfs/dbraw/zinc/17/41/06/643174106.db2.gz WSVKKCCUQDFDMR-DGCLKSJQSA-N 0 1 299.361 2.899 20 10 CFCDMN Cc1ccc(CNCc2nccn2CC(C)C)c(O)c1 ZINC000877149725 643178132 /nfs/dbraw/zinc/17/81/32/643178132.db2.gz QVAAARXQGSWAFX-UHFFFAOYSA-N 0 1 273.380 2.843 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000877167107 643184626 /nfs/dbraw/zinc/18/46/26/643184626.db2.gz NCVBFAMRPFNEPS-MFKMUULPSA-N 0 1 285.334 2.653 20 10 CFCDMN CCOC(=O)C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877389676 643255628 /nfs/dbraw/zinc/25/56/28/643255628.db2.gz NZDVHSIJJSUIOV-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN CCOC(=O)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877389676 643255636 /nfs/dbraw/zinc/25/56/36/643255636.db2.gz NZDVHSIJJSUIOV-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2ccc(C)cc2O)n1 ZINC000877524309 643328064 /nfs/dbraw/zinc/32/80/64/643328064.db2.gz UTUBNGNRKVEEEL-ZDUSSCGKSA-N 0 1 273.336 2.729 20 10 CFCDMN Cc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c(O)c1 ZINC000877570870 643368890 /nfs/dbraw/zinc/36/88/90/643368890.db2.gz OSKXQQDHKWUDDU-AWEZNQCLSA-N 0 1 265.397 2.930 20 10 CFCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877573650 643371336 /nfs/dbraw/zinc/37/13/36/643371336.db2.gz TWKGALVMPFRIKN-LLVKDONJSA-N 0 1 285.334 2.653 20 10 CFCDMN CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCN(C)C1 ZINC000877604604 643392293 /nfs/dbraw/zinc/39/22/93/643392293.db2.gz DBFQOHJWONIWET-LBPRGKRZSA-N 0 1 284.350 2.587 20 10 CFCDMN Cc1ccc(O)c(CNCc2cc(C3CC3)no2)c1 ZINC000877652975 643433036 /nfs/dbraw/zinc/43/30/36/643433036.db2.gz SDQNQVKOFBVZTN-UHFFFAOYSA-N 0 1 258.321 2.856 20 10 CFCDMN COCC1(C2CC2)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000877685854 643454946 /nfs/dbraw/zinc/45/49/46/643454946.db2.gz HNDLNHAXVLLGTG-UHFFFAOYSA-N 0 1 281.783 2.904 20 10 CFCDMN COc1cc(CNC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000877691344 643458475 /nfs/dbraw/zinc/45/84/75/643458475.db2.gz NFQQLNIRZIDZQV-UHFFFAOYSA-N 0 1 279.380 2.577 20 10 CFCDMN COC(=O)c1coc(CNCc2cc(C)c(C)cc2O)c1 ZINC000877699200 643461996 /nfs/dbraw/zinc/46/19/96/643461996.db2.gz ADKPJTPODSHGLY-UHFFFAOYSA-N 0 1 289.331 2.678 20 10 CFCDMN Cc1cccc(O)c1CNCc1nn(C)cc1C(F)F ZINC000877733533 643493362 /nfs/dbraw/zinc/49/33/62/643493362.db2.gz VGMYSUADJNNUSM-UHFFFAOYSA-N 0 1 281.306 2.662 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(Cl)c1 ZINC000877836745 643603470 /nfs/dbraw/zinc/60/34/70/643603470.db2.gz JDCYGHGNWHMISW-NSHDSACASA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(C)(C)O)C2)c(Cl)c1 ZINC000877836745 643603474 /nfs/dbraw/zinc/60/34/74/643603474.db2.gz JDCYGHGNWHMISW-NSHDSACASA-N 0 1 283.799 2.947 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878242459 643804507 /nfs/dbraw/zinc/80/45/07/643804507.db2.gz RTOKKGXGVUIRRV-DUVNUKRYSA-N 0 1 261.365 2.782 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878242461 643804534 /nfs/dbraw/zinc/80/45/34/643804534.db2.gz RTOKKGXGVUIRRV-INWMFGNUSA-N 0 1 261.365 2.782 20 10 CFCDMN CCCn1c(C)nnc1CN[C@@H](C)c1ccccc1O ZINC000879650656 644365011 /nfs/dbraw/zinc/36/50/11/644365011.db2.gz MBUQVOSWOVVNLM-NSHDSACASA-N 0 1 274.368 2.553 20 10 CFCDMN CN(Cc1cccc(Br)c1O)CC(F)F ZINC000092509064 650921242 /nfs/dbraw/zinc/92/12/42/650921242.db2.gz FBEFBYCYMOXJQK-UHFFFAOYSA-N 0 1 280.112 2.852 20 10 CFCDMN Cc1ccc(O)c(CN2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000093536161 650942109 /nfs/dbraw/zinc/94/21/09/650942109.db2.gz UWTYLHLSFOWTPI-AWEZNQCLSA-N 0 1 277.364 2.617 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000882935582 645515949 /nfs/dbraw/zinc/51/59/49/645515949.db2.gz VXLXLJIEVCBHOW-UHFFFAOYSA-N 0 1 296.361 2.777 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884481696 646389319 /nfs/dbraw/zinc/38/93/19/646389319.db2.gz PGQZDNIENFJCBR-RDTXWAMCSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884481696 646389320 /nfs/dbraw/zinc/38/93/20/646389320.db2.gz PGQZDNIENFJCBR-RDTXWAMCSA-N 0 1 298.386 2.941 20 10 CFCDMN C[C@H]1C[C@H](C[NH3+])CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000216045677 646519912 /nfs/dbraw/zinc/51/99/12/646519912.db2.gz MPYHJXVAISLCBG-DTWKUNHWSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000886801857 647144840 /nfs/dbraw/zinc/14/48/40/647144840.db2.gz UHJYAALVZMHMST-QUBYGPBYSA-N 0 1 299.239 2.634 20 10 CFCDMN C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927079863 648701452 /nfs/dbraw/zinc/70/14/52/648701452.db2.gz GMZAZOQJPJDZOH-JQWIXIFHSA-N 0 1 285.771 2.502 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000119166680 651296245 /nfs/dbraw/zinc/29/62/45/651296245.db2.gz VSFRXSDGCLJYGB-HOTGVXAUSA-N 0 1 289.762 2.794 20 10 CFCDMN CN(CCF)Cc1cc(C(F)(F)F)ccc1O ZINC001237144516 779023986 /nfs/dbraw/zinc/02/39/86/779023986.db2.gz RCNPEWLKSMXNCE-UHFFFAOYSA-N 0 1 251.223 2.812 20 10 CFCDMN Cc1cccc2c1CN(Cc1cc(O)ccc1O)C2 ZINC001141156556 775962992 /nfs/dbraw/zinc/96/29/92/775962992.db2.gz NALKPZOCIOPYFV-UHFFFAOYSA-N 0 1 255.317 2.922 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1 ZINC001231455914 777223764 /nfs/dbraw/zinc/22/37/64/777223764.db2.gz XLYDYYLCLPKJGF-RISCZKNCSA-N 0 1 275.348 2.855 20 10 CFCDMN CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453247 777224144 /nfs/dbraw/zinc/22/41/44/777224144.db2.gz JIOKMWPQOBMGOO-ZDUSSCGKSA-N 0 1 263.337 2.855 20 10 CFCDMN C[C@]1(F)CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560359 777259534 /nfs/dbraw/zinc/25/95/34/777259534.db2.gz HVADHFIYFGNLFX-HNNXBMFYSA-N 0 1 281.327 2.805 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@H]1C ZINC001231560451 777259617 /nfs/dbraw/zinc/25/96/17/777259617.db2.gz INDBXYCCWKFWTI-VXGBXAGGSA-N 0 1 277.364 2.958 20 10 CFCDMN Oc1ccc2ccccc2c1CN1CC2(CCO2)C1 ZINC001231590424 777270431 /nfs/dbraw/zinc/27/04/31/777270431.db2.gz ZQEGMMXYSLJROK-UHFFFAOYSA-N 0 1 255.317 2.520 20 10 CFCDMN COc1cc(N(C)C)ccc1CN1CCc2cnccc2C1 ZINC001231849738 777351136 /nfs/dbraw/zinc/35/11/36/777351136.db2.gz XUZNVMQDRPSSOK-UHFFFAOYSA-N 0 1 297.402 2.715 20 10 CFCDMN COc1cc(N(C)C)ccc1CN1CCC(C(C)=O)CC1 ZINC001231854106 777352480 /nfs/dbraw/zinc/35/24/80/777352480.db2.gz ZCNYSJFUXGYSOW-UHFFFAOYSA-N 0 1 290.407 2.562 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H](O)C2)cc1Cl ZINC001231866679 777356935 /nfs/dbraw/zinc/35/69/35/777356935.db2.gz BSLZYKFJXKDUJN-LBPRGKRZSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H](O)C2)cc1Cl ZINC001231866679 777356940 /nfs/dbraw/zinc/35/69/40/777356940.db2.gz BSLZYKFJXKDUJN-LBPRGKRZSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC3(COC3)C2)cc1Cl ZINC001231866634 777357276 /nfs/dbraw/zinc/35/72/76/777357276.db2.gz BEQQROLDOQXJCF-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC3(COC3)C2)cc1Cl ZINC001231866634 777357278 /nfs/dbraw/zinc/35/72/78/777357278.db2.gz BEQQROLDOQXJCF-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc1Cl ZINC001231870166 777358569 /nfs/dbraw/zinc/35/85/69/777358569.db2.gz MBJYSHNYXWESTD-IAQYHMDHSA-N 0 1 281.783 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)cc1Cl ZINC001231870166 777358572 /nfs/dbraw/zinc/35/85/72/777358572.db2.gz MBJYSHNYXWESTD-IAQYHMDHSA-N 0 1 281.783 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001231869287 777359559 /nfs/dbraw/zinc/35/95/59/777359559.db2.gz PFGICNYQLFRWIL-HZMBPMFUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001231869287 777359561 /nfs/dbraw/zinc/35/95/61/777359561.db2.gz PFGICNYQLFRWIL-HZMBPMFUSA-N 0 1 283.799 2.947 20 10 CFCDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881133 777364523 /nfs/dbraw/zinc/36/45/23/777364523.db2.gz RUZDJMKVOVRGEG-INIZCTEOSA-N 0 1 298.386 2.598 20 10 CFCDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881133 777364525 /nfs/dbraw/zinc/36/45/25/777364525.db2.gz RUZDJMKVOVRGEG-INIZCTEOSA-N 0 1 298.386 2.598 20 10 CFCDMN CC1(C(N)=O)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231883075 777364660 /nfs/dbraw/zinc/36/46/60/777364660.db2.gz WYWKVISYZSOXHL-UHFFFAOYSA-N 0 1 298.386 2.633 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1COC1 ZINC001231880881 777364980 /nfs/dbraw/zinc/36/49/80/777364980.db2.gz MHZPOCJCHDGFMH-UHFFFAOYSA-N 0 1 257.333 2.624 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1COC1 ZINC001231880881 777364986 /nfs/dbraw/zinc/36/49/86/777364986.db2.gz MHZPOCJCHDGFMH-UHFFFAOYSA-N 0 1 257.333 2.624 20 10 CFCDMN CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231884053 777366571 /nfs/dbraw/zinc/36/65/71/777366571.db2.gz UZTNPWYVPXZZAJ-INIZCTEOSA-N 0 1 298.386 2.646 20 10 CFCDMN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231884053 777366575 /nfs/dbraw/zinc/36/65/75/777366575.db2.gz UZTNPWYVPXZZAJ-INIZCTEOSA-N 0 1 298.386 2.646 20 10 CFCDMN CC(C)[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912769 777380604 /nfs/dbraw/zinc/38/06/04/777380604.db2.gz YPOLHNIOUPWULQ-ZDUSSCGKSA-N 0 1 269.772 2.902 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001231910777 777381084 /nfs/dbraw/zinc/38/10/84/777381084.db2.gz SQBLYBKPPVAARQ-CQSZACIVSA-N 0 1 267.756 2.801 20 10 CFCDMN 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[O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237126994 779021425 /nfs/dbraw/zinc/02/14/25/779021425.db2.gz RRIPTJQZMGGGAK-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237126994 779021431 /nfs/dbraw/zinc/02/14/31/779021431.db2.gz RRIPTJQZMGGGAK-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237417557 779104127 /nfs/dbraw/zinc/10/41/27/779104127.db2.gz TZDPVWSBLZFNPW-FZMZJTMJSA-N 0 1 280.799 2.620 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237484364 779117824 /nfs/dbraw/zinc/11/78/24/779117824.db2.gz CWTLAHFADOWTMK-XJKSGUPXSA-N 0 1 261.365 2.702 20 10 CFCDMN Cc1cccc(O)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001237486674 779118641 /nfs/dbraw/zinc/11/86/41/779118641.db2.gz AVNZCIDUADLEFA-QGZVFWFLSA-N 0 1 284.359 2.669 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCCC12COC2 ZINC001237621282 779145335 /nfs/dbraw/zinc/14/53/35/779145335.db2.gz YJCWKKAIJJVQQE-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237622123 779145436 /nfs/dbraw/zinc/14/54/36/779145436.db2.gz NCYVSIQFQYQWCU-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623671 779146955 /nfs/dbraw/zinc/14/69/55/779146955.db2.gz SMXHUMQGEGBVCL-LLVKDONJSA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC001237799614 779181321 /nfs/dbraw/zinc/18/13/21/779181321.db2.gz SGBSADKVHIFRJQ-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN O=C1CCCN(Cc2cc(F)cc(Cl)c2O)C[C@H]1F ZINC001237808506 779184449 /nfs/dbraw/zinc/18/44/49/779184449.db2.gz TUSFASJZIUKKRX-LLVKDONJSA-N 0 1 289.709 2.688 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2O)CCC1=O ZINC001237808971 779185373 /nfs/dbraw/zinc/18/53/73/779185373.db2.gz XIJQUZJXZFJFET-SECBINFHSA-N 0 1 285.746 2.986 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001237944722 779213158 /nfs/dbraw/zinc/21/31/58/779213158.db2.gz VDECXMSPZYDHRX-UHFFFAOYSA-N 0 1 298.789 2.855 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237946342 779215167 /nfs/dbraw/zinc/21/51/67/779215167.db2.gz JAJZWDUQAJQWSZ-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC001236804805 779642128 /nfs/dbraw/zinc/64/21/28/779642128.db2.gz ZXVHUWSPIQQEER-LLVKDONJSA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC001236804805 779642134 /nfs/dbraw/zinc/64/21/34/779642134.db2.gz ZXVHUWSPIQQEER-LLVKDONJSA-N 0 1 299.798 2.649 20 10 CFCDMN CC(F)(F)CNCc1c(O)ccc(Cl)c1F ZINC000382421024 780003666 /nfs/dbraw/zinc/00/36/66/780003666.db2.gz WVGQHTSWBZKTPQ-UHFFFAOYSA-N 0 1 253.651 2.930 20 10 CFCDMN Cc1cccc(N2CCC[N@@H+](Cc3ccccc3O)CC2)n1 ZINC001203558638 780074675 /nfs/dbraw/zinc/07/46/75/780074675.db2.gz RRECLJROGZBEHR-UHFFFAOYSA-N 0 1 297.402 2.808 20 10 CFCDMN CC1(C)OCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000703192073 780995830 /nfs/dbraw/zinc/99/58/30/780995830.db2.gz MIQJBXQWHZGORJ-JTQLQIEISA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703539395 781026504 /nfs/dbraw/zinc/02/65/04/781026504.db2.gz AWUFEOMNRIQLHK-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541266 781027738 /nfs/dbraw/zinc/02/77/38/781027738.db2.gz MRVFJDSYKMXGOG-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541266 781027741 /nfs/dbraw/zinc/02/77/41/781027741.db2.gz MRVFJDSYKMXGOG-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN COC[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703560498 781036196 /nfs/dbraw/zinc/03/61/96/781036196.db2.gz ALXUUNOERMFJBR-LLVKDONJSA-N 0 1 285.334 2.919 20 10 CFCDMN COCC[N@H+](Cc1ccc(F)c(F)c1[O-])CC(C)C ZINC000703590769 781036242 /nfs/dbraw/zinc/03/62/42/781036242.db2.gz BHYDBQOPOQKRTA-UHFFFAOYSA-N 0 1 273.323 2.775 20 10 CFCDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Br)OC ZINC000706883207 781211977 /nfs/dbraw/zinc/21/19/77/781211977.db2.gz JUCICBAHKGCCJX-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN COCCC[N@H+](C)Cc1c([O-])cccc1Br ZINC000707141398 781224595 /nfs/dbraw/zinc/22/45/95/781224595.db2.gz CXAIBPUPESUMAI-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN COCCC[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707141398 781224601 /nfs/dbraw/zinc/22/46/01/781224601.db2.gz CXAIBPUPESUMAI-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414352 781273774 /nfs/dbraw/zinc/27/37/74/781273774.db2.gz RGKGBAFONISKAI-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN COCCCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708434876 781274905 /nfs/dbraw/zinc/27/49/05/781274905.db2.gz WICSXQMWIBQIFE-UHFFFAOYSA-N 0 1 259.296 2.529 20 10 CFCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)[NH3+] ZINC000709331645 781309768 /nfs/dbraw/zinc/30/97/68/781309768.db2.gz NBGPLUFDDZFNIS-UHFFFAOYSA-N 0 1 277.195 2.868 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@H](C)C2)cc1Cl ZINC001118577948 781683189 /nfs/dbraw/zinc/68/31/89/781683189.db2.gz VYEHSUFPRVYCBG-MWLCHTKSSA-N 0 1 255.745 2.621 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000092763977 347645530 /nfs/dbraw/zinc/64/55/30/347645530.db2.gz QLQVWPVVYUNNHF-MRVPVSSYSA-N 0 1 276.163 2.513 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000206094913 348155975 /nfs/dbraw/zinc/15/59/75/348155975.db2.gz GVTCNXABFJWQNV-MRXNPFEDSA-N 0 1 257.333 2.558 20 10 CFCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CN(C)C ZINC000293383022 295972021 /nfs/dbraw/zinc/97/20/21/295972021.db2.gz IKTOCZBVSOVALZ-UWVGGRQHSA-N 0 1 272.339 2.519 20 10 CFCDMN CN(Cc1cccc2c1OCO2)Cc1ccccc1O ZINC000091956664 375074862 /nfs/dbraw/zinc/07/48/62/375074862.db2.gz PQRXLLSICATNQS-UHFFFAOYSA-N 0 1 271.316 2.753 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](CC)O[C@@H](C)C2)c1 ZINC000092487540 375115387 /nfs/dbraw/zinc/11/53/87/375115387.db2.gz SAMXCEHKXZDTEY-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN COCCN(Cc1ccco1)Cc1cccc(OC)c1O ZINC000092562414 375123704 /nfs/dbraw/zinc/12/37/04/375123704.db2.gz MPRFPDDYBQTEKU-UHFFFAOYSA-N 0 1 291.347 2.642 20 10 CFCDMN CN(C)c1ccc(CN2CCOCC23CCC3)cc1 ZINC000093509744 375260289 /nfs/dbraw/zinc/26/02/89/375260289.db2.gz GWOJSOPVBQJQOT-UHFFFAOYSA-N 0 1 260.381 2.508 20 10 CFCDMN Cc1noc(C)c1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000113339578 376011236 /nfs/dbraw/zinc/01/12/36/376011236.db2.gz BWJFZSGBMLJEPT-UHFFFAOYSA-N 0 1 280.755 2.983 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124600002 377068408 /nfs/dbraw/zinc/06/84/08/377068408.db2.gz VBHBXYMRUWBOGQ-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN Oc1cccc(Cl)c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000130168443 377519186 /nfs/dbraw/zinc/51/91/86/377519186.db2.gz MHKQDQSWEMKJTM-NSHDSACASA-N 0 1 295.688 2.545 20 10 CFCDMN C[C@H](O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000130415660 377554543 /nfs/dbraw/zinc/55/45/43/377554543.db2.gz NFMJMBNYBSYJGJ-JTQLQIEISA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H](c1ccco1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000131126628 377663684 /nfs/dbraw/zinc/66/36/84/377663684.db2.gz VGECJKLDBBDOCX-JTQLQIEISA-N 0 1 275.304 2.907 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134904747 378062687 /nfs/dbraw/zinc/06/26/87/378062687.db2.gz BCYUYHDXAMCGJO-WPRPVWTQSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134920950 378063811 /nfs/dbraw/zinc/06/38/11/378063811.db2.gz OWKBKPJYWAPGEO-IUCAKERBSA-N 0 1 288.185 2.576 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000153124105 378475909 /nfs/dbraw/zinc/47/59/09/378475909.db2.gz ICKWPVZWCTTXMD-PHIMTYICSA-N 0 1 269.772 2.686 20 10 CFCDMN COC[C@H](NCc1cccc(OC)c1O)c1ccc(C)o1 ZINC000177567012 380354616 /nfs/dbraw/zinc/35/46/16/380354616.db2.gz BHJAUTSTVCCCRO-ZDUSSCGKSA-N 0 1 291.347 2.780 20 10 CFCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000180208042 380634203 /nfs/dbraw/zinc/63/42/03/380634203.db2.gz VZNUOCUZXJUAFJ-CYBMUJFWSA-N 0 1 277.364 2.556 20 10 CFCDMN Cc1cccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000180284608 380643275 /nfs/dbraw/zinc/64/32/75/380643275.db2.gz RGUHCWIMMSJDCP-QGZVFWFLSA-N 0 1 299.370 2.980 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000180406235 380652640 /nfs/dbraw/zinc/65/26/40/380652640.db2.gz YIWMQSMVVNQANC-NSHDSACASA-N 0 1 295.688 2.545 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000180417901 380655709 /nfs/dbraw/zinc/65/57/09/380655709.db2.gz BKOBIEYHZPBTCU-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424109 380657976 /nfs/dbraw/zinc/65/79/76/380657976.db2.gz MNPFFCSHPLYERI-WCQYABFASA-N 0 1 282.815 2.960 20 10 CFCDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1nccn1C ZINC000182232522 381034956 /nfs/dbraw/zinc/03/49/56/381034956.db2.gz ZLEWLPYSYGBQOE-OAHLLOKOSA-N 0 1 272.396 2.727 20 10 CFCDMN COc1cccc(CN2CCC[C@](C)(F)C2)c1O ZINC000296015067 381211369 /nfs/dbraw/zinc/21/13/69/381211369.db2.gz LYNATCVLBCKPQC-AWEZNQCLSA-N 0 1 253.317 2.725 20 10 CFCDMN C[C@@H](c1ccccn1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000183679289 381305532 /nfs/dbraw/zinc/30/55/32/381305532.db2.gz YPCCMXLUEXTZHH-NSHDSACASA-N 0 1 286.331 2.709 20 10 CFCDMN CCN(C)c1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296551356 381445313 /nfs/dbraw/zinc/44/53/13/381445313.db2.gz RNIPJLISMJDUEK-LBPRGKRZSA-N 0 1 299.422 2.989 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000184677691 381458052 /nfs/dbraw/zinc/45/80/52/381458052.db2.gz KMWHLKWMEIUFKO-FUNVUKJBSA-N 0 1 297.782 2.542 20 10 CFCDMN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000185112979 381538850 /nfs/dbraw/zinc/53/88/50/381538850.db2.gz FMLYXIZZPBRXAI-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN COC[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185148635 381547499 /nfs/dbraw/zinc/54/74/99/381547499.db2.gz LOZKZVURYZCGQH-NXEZZACHSA-N 0 1 257.761 2.979 20 10 CFCDMN CCn1nccc1CNCc1c(C)c2ccccc2n1C ZINC000355110721 381617642 /nfs/dbraw/zinc/61/76/42/381617642.db2.gz BVUYCRZGTXBYPH-UHFFFAOYSA-N 0 1 282.391 2.993 20 10 CFCDMN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185463061 381640520 /nfs/dbraw/zinc/64/05/20/381640520.db2.gz FGHHPCNLHDGECT-ZANVPECISA-N 0 1 257.761 2.713 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000185783625 381732633 /nfs/dbraw/zinc/73/26/33/381732633.db2.gz XBMOIPGZWFZVQH-GHMZBOCLSA-N 0 1 267.344 2.997 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCSCC2)cc1C ZINC000298774265 381744095 /nfs/dbraw/zinc/74/40/95/381744095.db2.gz HSVDENMRYDCCAZ-UHFFFAOYSA-N 0 1 251.395 2.948 20 10 CFCDMN COCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186134726 381832252 /nfs/dbraw/zinc/83/22/52/381832252.db2.gz JXGWLULMSUZACC-NSHDSACASA-N 0 1 267.344 2.999 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292845589 381861808 /nfs/dbraw/zinc/86/18/08/381861808.db2.gz SPKRTQASUFYAIL-HNNXBMFYSA-N 0 1 291.391 2.649 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000372980051 381902506 /nfs/dbraw/zinc/90/25/06/381902506.db2.gz MYWAFJJJIJDQAG-WPRPVWTQSA-N 0 1 293.317 2.602 20 10 CFCDMN Cc1nc(CNCc2ccccc2O)c2n1CCCC2 ZINC000373143592 381937983 /nfs/dbraw/zinc/93/79/83/381937983.db2.gz XLEIAWFAMQYQHU-UHFFFAOYSA-N 0 1 271.364 2.523 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373315223 381978579 /nfs/dbraw/zinc/97/85/79/381978579.db2.gz CKMKBCXWHFURMY-CQSZACIVSA-N 0 1 285.746 2.532 20 10 CFCDMN Cc1cnn(C2CN(Cc3cccc(Cl)c3O)C2)c1 ZINC000375842736 382105920 /nfs/dbraw/zinc/10/59/20/382105920.db2.gz RCNXJMQJHIRNKD-UHFFFAOYSA-N 0 1 277.755 2.607 20 10 CFCDMN Cc1ccc(O)c(CN2CCC[C@H]2c2ncc[nH]2)c1 ZINC000375358764 382080814 /nfs/dbraw/zinc/08/08/14/382080814.db2.gz YFYXZBNJKKDPAD-ZDUSSCGKSA-N 0 1 257.337 2.761 20 10 CFCDMN Cc1nc(C(C)(C)NCc2cc(Cl)c(F)cc2O)no1 ZINC000293545266 382168063 /nfs/dbraw/zinc/16/80/63/382168063.db2.gz GLKDSUQWLPFHCG-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN CN(CCF)Cc1cc(Br)ccc1O ZINC000293695318 382236405 /nfs/dbraw/zinc/23/64/05/382236405.db2.gz RAQXKLXBQUOYAQ-UHFFFAOYSA-N 0 1 262.122 2.556 20 10 CFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000378443372 382460641 /nfs/dbraw/zinc/46/06/41/382460641.db2.gz MVVFPURIKKIZEP-NSHDSACASA-N 0 1 297.782 2.677 20 10 CFCDMN CC[C@@H](NCc1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000294897144 382543197 /nfs/dbraw/zinc/54/31/97/382543197.db2.gz WXXAHPDPVDRWEE-GFCCVEGCSA-N 0 1 274.368 2.875 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000295000619 382560100 /nfs/dbraw/zinc/56/01/00/382560100.db2.gz UUTGSEKHBRHTSF-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000189428615 382607481 /nfs/dbraw/zinc/60/74/81/382607481.db2.gz DCPSNEUFOWZQAW-UHFFFAOYSA-N 0 1 295.360 2.965 20 10 CFCDMN CCn1nnc(C)c1CNCc1c(C)c2ccccc2n1C ZINC000449291932 383202892 /nfs/dbraw/zinc/20/28/92/383202892.db2.gz ARXQSQMIFPWJJP-UHFFFAOYSA-N 0 1 297.406 2.696 20 10 CFCDMN COc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1C ZINC000268850613 384675486 /nfs/dbraw/zinc/67/54/86/384675486.db2.gz PMQYAHLJJJNANC-CQSZACIVSA-N 0 1 271.364 2.894 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281667373 385200510 /nfs/dbraw/zinc/20/05/10/385200510.db2.gz LGLHGDPSIDKNOM-QMTHXVAHSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281667373 385200515 /nfs/dbraw/zinc/20/05/15/385200515.db2.gz LGLHGDPSIDKNOM-QMTHXVAHSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281667373 385200520 /nfs/dbraw/zinc/20/05/20/385200520.db2.gz LGLHGDPSIDKNOM-QMTHXVAHSA-N 0 1 295.354 2.733 20 10 CFCDMN CCOc1cccc(C[N@@H+](CCO)C2CCCC2)c1O ZINC000270983092 385291145 /nfs/dbraw/zinc/29/11/45/385291145.db2.gz DWIIJNICHMECHQ-UHFFFAOYSA-N 0 1 279.380 2.528 20 10 CFCDMN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000271781970 385392230 /nfs/dbraw/zinc/39/22/30/385392230.db2.gz DWYWGVGRDCBPAU-GFCCVEGCSA-N 0 1 277.755 2.936 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000271830577 385393944 /nfs/dbraw/zinc/39/39/44/385393944.db2.gz QQJHXJUZWQJHBC-SFHVURJKSA-N 0 1 299.370 2.974 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273299216 385675431 /nfs/dbraw/zinc/67/54/31/385675431.db2.gz AVYVSOFGAFYFEP-NSHDSACASA-N 0 1 295.383 2.539 20 10 CFCDMN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccccc1O ZINC000109770310 393879826 /nfs/dbraw/zinc/87/98/26/393879826.db2.gz JWVNDAHBBGERQC-UKRRQHHQSA-N 0 1 290.407 2.519 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](C2CC2)C1 ZINC000365232733 394230161 /nfs/dbraw/zinc/23/01/61/394230161.db2.gz FFFZQEVVCJQSTR-ZDUSSCGKSA-N 0 1 285.746 2.796 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCCCC2)c1O ZINC000037322704 173123412 /nfs/dbraw/zinc/12/34/12/173123412.db2.gz CMKYUMLWNAOPAY-UHFFFAOYSA-N 0 1 251.301 2.720 20 10 CFCDMN C[C@H]1CCOCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000367708681 267111798 /nfs/dbraw/zinc/11/17/98/267111798.db2.gz RFFWRLJAJZFXJX-LBPRGKRZSA-N 0 1 266.360 2.503 20 10 CFCDMN COC[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OC ZINC000230672226 277245997 /nfs/dbraw/zinc/24/59/97/277245997.db2.gz QZLADCRFWGWALV-GXTWGEPZSA-N 0 1 289.375 2.857 20 10 CFCDMN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185801312 327845205 /nfs/dbraw/zinc/84/52/05/327845205.db2.gz QEACQYPIGAZQOI-GXSJLCMTSA-N 0 1 257.761 2.857 20 10 CFCDMN CCn1nncc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000527911595 330290819 /nfs/dbraw/zinc/29/08/19/330290819.db2.gz BBVQSHLVFGKVNZ-SECBINFHSA-N 0 1 280.759 2.508 20 10 CFCDMN CC[C@@H]([NH2+]CC1COC1)c1cc(Cl)ccc1[O-] ZINC000528025406 330304982 /nfs/dbraw/zinc/30/49/82/330304982.db2.gz LLPXKLUVONTHTK-GFCCVEGCSA-N 0 1 255.745 2.733 20 10 CFCDMN CCN(CC)c1ccc(CNCc2ccnn2C)cc1 ZINC000070141140 520908299 /nfs/dbraw/zinc/90/82/99/520908299.db2.gz UXDMCNOLXKJSCU-UHFFFAOYSA-N 0 1 272.396 2.556 20 10 CFCDMN CCOc1ccc(N(CC)Cc2n[nH]c(C)n2)cc1 ZINC000292528748 521027825 /nfs/dbraw/zinc/02/78/25/521027825.db2.gz OVGVRAASNKCMSD-UHFFFAOYSA-N 0 1 260.341 2.538 20 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0 1 297.402 2.973 20 10 CFCDMN C[C@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000086625897 524529490 /nfs/dbraw/zinc/52/94/90/524529490.db2.gz AROJLGUMEBTZKD-RYUDHWBXSA-N 0 1 259.349 2.824 20 10 CFCDMN C[C@@H]([NH2+]CCCCCO)c1cc(Cl)ccc1[O-] ZINC000192927517 525432325 /nfs/dbraw/zinc/43/23/25/525432325.db2.gz TWXWKXVEVQDJIX-SNVBAGLBSA-N 0 1 257.761 2.859 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000192748363 525633366 /nfs/dbraw/zinc/63/33/66/525633366.db2.gz JYEZOBRBNVJBRL-MLGOLLRUSA-N 0 1 298.386 2.865 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C)c2ncnn2C)c(O)c1C ZINC000276669156 525748019 /nfs/dbraw/zinc/74/80/19/525748019.db2.gz RNZGJEOXZLEHLH-VXGBXAGGSA-N 0 1 274.368 2.549 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000085982617 525771239 /nfs/dbraw/zinc/77/12/39/525771239.db2.gz IKJZSEWBPHEIDZ-NEPJUHHUSA-N 0 1 259.349 2.967 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nccs1 ZINC000083552325 526363971 /nfs/dbraw/zinc/36/39/71/526363971.db2.gz 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/nfs/dbraw/zinc/23/81/20/574238120.db2.gz FFILWZOUJQQUHI-PWSUYJOCSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000756534389 574244215 /nfs/dbraw/zinc/24/42/15/574244215.db2.gz KRYHJNSUNNBMJT-KKZNHRDASA-N 0 1 290.342 2.559 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756536885 574244377 /nfs/dbraw/zinc/24/43/77/574244377.db2.gz XBJABEDJMUOEJC-PWSUYJOCSA-N 0 1 280.799 2.933 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000756533102 574244542 /nfs/dbraw/zinc/24/45/42/574244542.db2.gz GWXMLKWIKFXPDT-MWLCHTKSSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@@H](NCc1cc[nH]n1)c1cc(Br)ccc1O ZINC000756557248 574247089 /nfs/dbraw/zinc/24/70/89/574247089.db2.gz RRFAFFAVXGHGIF-MRVPVSSYSA-N 0 1 296.168 2.729 20 10 CFCDMN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000756705561 574258299 /nfs/dbraw/zinc/25/82/99/574258299.db2.gz LDCNTFLYCKHJPF-JTQLQIEISA-N 0 1 296.798 2.755 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)c2c1c(F)ccc2[O-] ZINC000756770521 574261877 /nfs/dbraw/zinc/26/18/77/574261877.db2.gz KYOWVMJAHNXXMB-PRULPYPASA-N 0 1 279.355 2.973 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756883114 574270691 /nfs/dbraw/zinc/27/06/91/574270691.db2.gz UKTCBUKHXHRUEH-RHSMWYFYSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756883114 574270693 /nfs/dbraw/zinc/27/06/93/574270693.db2.gz UKTCBUKHXHRUEH-RHSMWYFYSA-N 0 1 298.386 2.941 20 10 CFCDMN COC(=O)c1ccc(CNCc2cc(Cl)ccc2O)o1 ZINC000734159816 574277504 /nfs/dbraw/zinc/27/75/04/574277504.db2.gz JCXCGXKAJUXFCF-UHFFFAOYSA-N 0 1 295.722 2.715 20 10 CFCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000742375683 574325718 /nfs/dbraw/zinc/32/57/18/574325718.db2.gz RGGOGPBCAGKBMG-AWEZNQCLSA-N 0 1 281.739 2.636 20 10 CFCDMN C/C(=C\C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)C(=O)[O-] ZINC000825730072 601219422 /nfs/dbraw/zinc/21/94/22/601219422.db2.gz 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C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000775988712 618403253 /nfs/dbraw/zinc/40/32/53/618403253.db2.gz ZAPZJCFJVABJEI-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775988712 618403258 /nfs/dbraw/zinc/40/32/58/618403258.db2.gz ZAPZJCFJVABJEI-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775988712 618403262 /nfs/dbraw/zinc/40/32/62/618403262.db2.gz ZAPZJCFJVABJEI-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H](CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])N(C)C ZINC000895296468 618518055 /nfs/dbraw/zinc/51/80/55/618518055.db2.gz LWPVPIKWILYKGG-VIFPVBQESA-N 0 1 274.767 2.615 20 10 CFCDMN COc1cc(C)cc(C[N@H+]2Cc3cccc(O)c3C2)c1O ZINC000895449388 618592916 /nfs/dbraw/zinc/59/29/16/618592916.db2.gz HSEAADCCNUKUSX-UHFFFAOYSA-N 0 1 285.343 2.931 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000895461035 618597390 /nfs/dbraw/zinc/59/73/90/618597390.db2.gz KPVAGVUVBGXZMK-MWLCHTKSSA-N 0 1 285.359 2.855 20 10 CFCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895470534 618601801 /nfs/dbraw/zinc/60/18/01/618601801.db2.gz KRUASQQSNXUWIO-NSHDSACASA-N 0 1 285.334 2.653 20 10 CFCDMN CCc1ncc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC000840886660 618680780 /nfs/dbraw/zinc/68/07/80/618680780.db2.gz KQPDLFTXFGASEV-UHFFFAOYSA-N 0 1 296.418 2.711 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000840898336 618851427 /nfs/dbraw/zinc/85/14/27/618851427.db2.gz DBPFXFMKDDBRCA-VXGBXAGGSA-N 0 1 283.799 2.995 20 10 CFCDMN Oc1c(CN2CCO[C@@H](CF)C2)ccc2ccccc21 ZINC000840954925 619132820 /nfs/dbraw/zinc/13/28/20/619132820.db2.gz NMFQJKOEPJPRND-AWEZNQCLSA-N 0 1 275.323 2.716 20 10 CFCDMN CCC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000178909704 619332151 /nfs/dbraw/zinc/33/21/51/619332151.db2.gz WVNKSXNEILWMOP-INIZCTEOSA-N 0 1 275.392 2.882 20 10 CFCDMN COC(=O)[C@H]1CCCCCN1Cc1cc(F)cc(F)c1O ZINC000894433491 619383672 /nfs/dbraw/zinc/38/36/72/619383672.db2.gz PAPIQKNHYFEKJB-CYBMUJFWSA-N 0 1 299.317 2.588 20 10 CFCDMN COC(=O)[C@H](C)N(Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894545670 619414847 /nfs/dbraw/zinc/41/48/47/619414847.db2.gz UEOYDSFTITYVNP-VIFPVBQESA-N 0 1 299.317 2.586 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C2CC2)O1 ZINC000894597597 619428857 /nfs/dbraw/zinc/42/88/57/619428857.db2.gz NZIVKSONDFCOKH-YMTOWFKASA-N 0 1 283.318 2.670 20 10 CFCDMN Cc1ccc(C[N@@H+](CCO)Cc2cc(F)cc(F)c2[O-])o1 ZINC000894638473 619434233 /nfs/dbraw/zinc/43/42/33/619434233.db2.gz WMMBVHRMUMAWGF-UHFFFAOYSA-N 0 1 297.301 2.566 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1CC(F)F ZINC000894757222 619458680 /nfs/dbraw/zinc/45/86/80/619458680.db2.gz RNFSCIHRSRUJQW-JTQLQIEISA-N 0 1 293.260 2.526 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2cc(F)cc(F)c2O)n1 ZINC000894757366 619458772 /nfs/dbraw/zinc/45/87/72/619458772.db2.gz ODZPKHLAJNCKSS-LBPRGKRZSA-N 0 1 295.289 2.699 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000894986397 619523108 /nfs/dbraw/zinc/52/31/08/619523108.db2.gz MJBILLFXOZZEFR-AWEZNQCLSA-N 0 1 283.318 2.671 20 10 CFCDMN COc1ccc2ccc(O)c(CN3CCOC[C@@H]3C)c2c1 ZINC000025481135 619654990 /nfs/dbraw/zinc/65/49/90/619654990.db2.gz XUMAICRMLRRCBP-LBPRGKRZSA-N 0 1 287.359 2.775 20 10 CFCDMN Cc1ccc(CNCc2nc(CN(C)C)cs2)c(O)c1 ZINC000896308827 619713427 /nfs/dbraw/zinc/71/34/27/619713427.db2.gz MOGQZIVSUQLBAX-UHFFFAOYSA-N 0 1 291.420 2.509 20 10 CFCDMN Oc1ccccc1CN1CCS[C@H](C(F)(F)F)C1 ZINC000896455984 619741911 /nfs/dbraw/zinc/74/19/11/619741911.db2.gz MOYBOPQUHKXWQS-NSHDSACASA-N 0 1 277.311 2.872 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000896578412 619766361 /nfs/dbraw/zinc/76/63/61/619766361.db2.gz URORBFINXAGGOF-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN CCc1cccc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000896597639 619771822 /nfs/dbraw/zinc/77/18/22/619771822.db2.gz VSQNXPATNGVXII-HNNXBMFYSA-N 0 1 283.375 2.986 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000310721061 619993782 /nfs/dbraw/zinc/99/37/82/619993782.db2.gz IGUDJEMDIIHMAA-GXFFZTMASA-N 0 1 269.772 2.686 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC000079469445 620024236 /nfs/dbraw/zinc/02/42/36/620024236.db2.gz DQWCVQPAVGCIBW-UHFFFAOYSA-N 0 1 265.328 2.966 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC000079469445 620024238 /nfs/dbraw/zinc/02/42/38/620024238.db2.gz DQWCVQPAVGCIBW-UHFFFAOYSA-N 0 1 265.328 2.966 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897531012 620220056 /nfs/dbraw/zinc/22/00/56/620220056.db2.gz VJDKMPIRLAXTNX-UHFFFAOYSA-N 0 1 281.783 2.830 20 10 CFCDMN Cc1noc(C2(NCc3c(O)ccc(Cl)c3F)CC2)n1 ZINC000897897813 620300026 /nfs/dbraw/zinc/30/00/26/620300026.db2.gz LNBIJLJENTWNPL-UHFFFAOYSA-N 0 1 297.717 2.655 20 10 CFCDMN CC1CCN(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000040771435 620419891 /nfs/dbraw/zinc/41/98/91/620419891.db2.gz MHVFGHWRRQDJKT-UHFFFAOYSA-N 0 1 282.815 2.867 20 10 CFCDMN C[C@H](NCc1nc2c(s1)COCC2)c1ccccc1O ZINC000927122071 620456078 /nfs/dbraw/zinc/45/60/78/620456078.db2.gz RIIHWZCBLPXJRV-JTQLQIEISA-N 0 1 290.388 2.772 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898393884 620458854 /nfs/dbraw/zinc/45/88/54/620458854.db2.gz VBQNZIJHCAAHBK-HOCLYGCPSA-N 0 1 289.762 2.794 20 10 CFCDMN C[C@@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)c1ccccc1O ZINC000899181931 620528476 /nfs/dbraw/zinc/52/84/76/620528476.db2.gz OROHWBNPBHFPFU-WDEREUQCSA-N 0 1 299.374 2.731 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2csc(N)n2)c(O)c1 ZINC000902499340 621105505 /nfs/dbraw/zinc/10/55/05/621105505.db2.gz NTGKMAWRONTLJB-SECBINFHSA-N 0 1 263.366 2.590 20 10 CFCDMN C[C@H]1C[C@@H](NCc2csc(N)n2)c2c1c(F)ccc2O ZINC000902499965 621105547 /nfs/dbraw/zinc/10/55/47/621105547.db2.gz RGRCLZRIHUBFNF-OIBJUYFYSA-N 0 1 293.367 2.908 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2cn(C)cn2)c(O)c1 ZINC000903351391 621343377 /nfs/dbraw/zinc/34/33/77/621343377.db2.gz KQLSYFCWMWVVKB-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000903387468 621358327 /nfs/dbraw/zinc/35/83/27/621358327.db2.gz GTBXNCURJOHITB-ZWNOBZJWSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903409465 621364718 /nfs/dbraw/zinc/36/47/18/621364718.db2.gz XDAXRPKBLULFMI-TVQRCGJNSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000841101170 623031415 /nfs/dbraw/zinc/03/14/15/623031415.db2.gz QPOZDUSJEXCQGX-MWLCHTKSSA-N 0 1 286.778 2.601 20 10 CFCDMN CCn1nc(C)c(CNCc2ccc3ccccc3c2O)n1 ZINC000822494085 623115265 /nfs/dbraw/zinc/11/52/65/623115265.db2.gz FXXZMSFEBZOMJG-UHFFFAOYSA-N 0 1 296.374 2.755 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000822520955 623120849 /nfs/dbraw/zinc/12/08/49/623120849.db2.gz UAFLWFCCFRGFKY-GXFFZTMASA-N 0 1 298.789 2.711 20 10 CFCDMN CC[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1O ZINC000824527594 623517436 /nfs/dbraw/zinc/51/74/36/623517436.db2.gz WUOOFOOYTUUZAC-OLZOCXBDSA-N 0 1 257.337 2.774 20 10 CFCDMN COc1ccc(N2CCC(NC(CF)CF)CC2)cc1 ZINC000824555220 623522674 /nfs/dbraw/zinc/52/26/74/623522674.db2.gz QUJWIQLAMIMEMJ-UHFFFAOYSA-N 0 1 284.350 2.561 20 10 CFCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824714419 623550354 /nfs/dbraw/zinc/55/03/54/623550354.db2.gz DUNMJVKXWUJNKG-IIAWOOMASA-N 0 1 261.365 2.518 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@](O)(C(F)F)C2)ccc2ccccc12 ZINC000824726455 623552672 /nfs/dbraw/zinc/55/26/72/623552672.db2.gz MRJGZDBUKKXSGL-INIZCTEOSA-N 0 1 293.313 2.747 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc2ccccc12 ZINC000824726455 623552680 /nfs/dbraw/zinc/55/26/80/623552680.db2.gz MRJGZDBUKKXSGL-INIZCTEOSA-N 0 1 293.313 2.747 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000824815492 623570969 /nfs/dbraw/zinc/57/09/69/623570969.db2.gz RBEIOTBZHOBYEI-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000824815492 623570976 /nfs/dbraw/zinc/57/09/76/623570976.db2.gz RBEIOTBZHOBYEI-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](CO)C(C)C ZINC000824845960 623576256 /nfs/dbraw/zinc/57/62/56/623576256.db2.gz POVDNQYNKNKGBI-GOEBONIOSA-N 0 1 283.387 2.910 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCOC2)cc1Cl ZINC000824905736 623585533 /nfs/dbraw/zinc/58/55/33/623585533.db2.gz BIKYQVVHZXBANV-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)cc1Cl ZINC000824905736 623585538 /nfs/dbraw/zinc/58/55/38/623585538.db2.gz BIKYQVVHZXBANV-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN CC[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000824921659 623588560 /nfs/dbraw/zinc/58/85/60/623588560.db2.gz OTLWFKHYDWITOI-ABAIWWIYSA-N 0 1 259.349 2.794 20 10 CFCDMN CCOc1cccc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017444 623608532 /nfs/dbraw/zinc/60/85/32/623608532.db2.gz RMMIQBPYJQJRLG-YPMHNXCESA-N 0 1 287.363 2.783 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCn2cccn2)cc1Cl ZINC000825096481 623627613 /nfs/dbraw/zinc/62/76/13/623627613.db2.gz DQPWOYWCLDIBIQ-UHFFFAOYSA-N 0 1 279.771 2.730 20 10 CFCDMN C[C@@H](O)CN(Cc1c(O)ccc(Cl)c1F)CC(F)F ZINC000825104397 623631707 /nfs/dbraw/zinc/63/17/07/623631707.db2.gz WDBNVKWHGDRMKD-SSDOTTSWSA-N 0 1 297.704 2.633 20 10 CFCDMN CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825255207 623659986 /nfs/dbraw/zinc/65/99/86/623659986.db2.gz YPXGXUFKKPFRQV-XPTSAGLGSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCO[C@H]2CCOC2)cc1Cl ZINC000825337860 623675258 /nfs/dbraw/zinc/67/52/58/623675258.db2.gz PKYXNGUXRPFHIS-ZDUSSCGKSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC[S@](C)=O)cc1Cl ZINC000825341254 623676005 /nfs/dbraw/zinc/67/60/05/623676005.db2.gz FFHSEHIGYISSJR-MGNBDDOMSA-N 0 1 289.828 2.601 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338360 623677073 /nfs/dbraw/zinc/67/70/73/623677073.db2.gz OYUAWFKXLCXBEQ-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338360 623677075 /nfs/dbraw/zinc/67/70/75/623677075.db2.gz OYUAWFKXLCXBEQ-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1Cl ZINC000825352598 623678799 /nfs/dbraw/zinc/67/87/99/623678799.db2.gz HNXXATVRUUKSOZ-BJHJDKERSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825421951 623690704 /nfs/dbraw/zinc/69/07/04/623690704.db2.gz IWAMENOIDAFUNA-MNOVXSKESA-N 0 1 298.814 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCNc2ccccn2)cc1Cl ZINC000825430337 623691332 /nfs/dbraw/zinc/69/13/32/623691332.db2.gz WWLQRBHMXKZOFG-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN Cc1cc(CNCc2cc(Cl)c(C)cc2O)on1 ZINC000825426064 623691950 /nfs/dbraw/zinc/69/19/50/623691950.db2.gz VLOWEYJJVVAASH-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)[S@](C)=O)cc1Cl ZINC000825435762 623693452 /nfs/dbraw/zinc/69/34/52/623693452.db2.gz JCSWLZLCCMPFMT-YPMLDQLKSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCOC2)cc1Cl ZINC000825497327 623703309 /nfs/dbraw/zinc/70/33/09/623703309.db2.gz GJAZEJQDPVZIEM-LLVKDONJSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C(C)(C)C)cc1Cl ZINC000825502578 623704300 /nfs/dbraw/zinc/70/43/00/623704300.db2.gz YSBHXTASQMHJIZ-CYBMUJFWSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1Cl ZINC000825567999 623717367 /nfs/dbraw/zinc/71/73/67/623717367.db2.gz QFLSVIBWXZRKDI-BXUZGUMPSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CC2)cc1Cl ZINC000825568550 623717507 /nfs/dbraw/zinc/71/75/07/623717507.db2.gz ZRYYVIKSZNBGAG-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C(F)(F)F)cc1Cl ZINC000825916622 623768626 /nfs/dbraw/zinc/76/86/26/623768626.db2.gz QUWGZXNEYYPRGZ-NSHDSACASA-N 0 1 297.704 2.757 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H](C)CO ZINC000825960112 623776463 /nfs/dbraw/zinc/77/64/63/623776463.db2.gz WFXYOQGIRCAULM-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H](C)CO ZINC000825960112 623776469 /nfs/dbraw/zinc/77/64/69/623776469.db2.gz WFXYOQGIRCAULM-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2=CCOCC2)cc1Cl ZINC000826036847 623786047 /nfs/dbraw/zinc/78/60/47/623786047.db2.gz QQTZZHUGWDWAOC-UHFFFAOYSA-N 0 1 267.756 2.790 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CCO)cc1Cl ZINC000826143098 623797551 /nfs/dbraw/zinc/79/75/51/623797551.db2.gz SEFXRUVMUDSXOD-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CCO)cc1Cl ZINC000826143098 623797558 /nfs/dbraw/zinc/79/75/58/623797558.db2.gz SEFXRUVMUDSXOD-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C2CCC2)cc1Cl ZINC000826100918 623793951 /nfs/dbraw/zinc/79/39/51/623793951.db2.gz XYKRDEGYAFBAQJ-AWEZNQCLSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC000826131583 623796973 /nfs/dbraw/zinc/79/69/73/623796973.db2.gz XBDNMRZMLARFQY-PWSUYJOCSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC000826131583 623796977 /nfs/dbraw/zinc/79/69/77/623796977.db2.gz XBDNMRZMLARFQY-PWSUYJOCSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC000826131583 623796982 /nfs/dbraw/zinc/79/69/82/623796982.db2.gz XBDNMRZMLARFQY-PWSUYJOCSA-N 0 1 269.772 2.699 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000914570513 623901357 /nfs/dbraw/zinc/90/13/57/623901357.db2.gz CAJSHABHQVWLTA-NWDGAFQWSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000914570513 623901360 /nfs/dbraw/zinc/90/13/60/623901360.db2.gz CAJSHABHQVWLTA-NWDGAFQWSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827282853 623981285 /nfs/dbraw/zinc/98/12/85/623981285.db2.gz NPZARANFNSFCOQ-QMTHXVAHSA-N 0 1 285.746 2.653 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827601672 624042556 /nfs/dbraw/zinc/04/25/56/624042556.db2.gz GWFFOLVEDZFUDW-NXEZZACHSA-N 0 1 285.746 2.653 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@]1(C)CO ZINC000827693170 624065460 /nfs/dbraw/zinc/06/54/60/624065460.db2.gz ZGCYEOYCBCAXDK-SCLBCKFNSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@]1(C)CO ZINC000827693170 624065462 /nfs/dbraw/zinc/06/54/62/624065462.db2.gz ZGCYEOYCBCAXDK-SCLBCKFNSA-N 0 1 285.387 2.996 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831527546 625042071 /nfs/dbraw/zinc/04/20/71/625042071.db2.gz GGFWLQYAYGRVQY-ZUZCIYMTSA-N 0 1 295.354 2.591 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831527546 625042079 /nfs/dbraw/zinc/04/20/79/625042079.db2.gz GGFWLQYAYGRVQY-ZUZCIYMTSA-N 0 1 295.354 2.591 20 10 CFCDMN COc1ccc([N@H+](CCCC(=O)[O-])CC2CC2)cc1 ZINC000831587709 625061680 /nfs/dbraw/zinc/06/16/80/625061680.db2.gz HTHOBJYJNQZZEM-UHFFFAOYSA-N 0 1 263.337 2.776 20 10 CFCDMN COc1ccc([N@@H+](CCCC(=O)[O-])CC2CC2)cc1 ZINC000831587709 625061683 /nfs/dbraw/zinc/06/16/83/625061683.db2.gz HTHOBJYJNQZZEM-UHFFFAOYSA-N 0 1 263.337 2.776 20 10 CFCDMN COc1ccc(N(Cc2n[nH]c(C)n2)CC2CC2)cc1 ZINC000831593897 625065311 /nfs/dbraw/zinc/06/53/11/625065311.db2.gz PGPSURDMXIHUEP-UHFFFAOYSA-N 0 1 272.352 2.538 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H]2CCn3ccnc32)c1 ZINC000834833154 625893538 /nfs/dbraw/zinc/89/35/38/625893538.db2.gz VPUXEHNMNUPIEZ-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1ccc(O)c([C@H](C)NCc2nnc(C3CC3)[nH]2)c1 ZINC000834870513 625905619 /nfs/dbraw/zinc/90/56/19/625905619.db2.gz HWYQJPFWMWSYCX-JTQLQIEISA-N 0 1 272.352 2.547 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cc(Cl)ccc1[O-] ZINC000834888748 625910721 /nfs/dbraw/zinc/91/07/21/625910721.db2.gz BWUVKTMIGILWAN-AAEUAGOBSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@H]([NH2+]C(COC)COC)c1cc(Cl)ccc1[O-] ZINC000834893366 625911776 /nfs/dbraw/zinc/91/17/76/625911776.db2.gz VGROIQWXJAARTJ-ZDUSSCGKSA-N 0 1 287.787 2.748 20 10 CFCDMN CN(C/C=C/Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000073405874 625996716 /nfs/dbraw/zinc/99/67/16/625996716.db2.gz NVUOWODJXUGWGM-FARCUNLSSA-N 0 1 280.799 2.708 20 10 CFCDMN CC(C)c1nc(CNCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000922154285 626219432 /nfs/dbraw/zinc/21/94/32/626219432.db2.gz MSLPTZPSOAKHQD-UHFFFAOYSA-N 0 1 286.379 2.543 20 10 CFCDMN Cc1cc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)nn1C ZINC000922685545 626340785 /nfs/dbraw/zinc/34/07/85/626340785.db2.gz JSLXDCBWGSZRPH-UHFFFAOYSA-N 0 1 293.798 2.728 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1N(C)C ZINC000923228623 626458204 /nfs/dbraw/zinc/45/82/04/626458204.db2.gz VZJQCAGIAMTUOY-AWEZNQCLSA-N 0 1 290.407 2.748 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253803 626459618 /nfs/dbraw/zinc/45/96/18/626459618.db2.gz KXRWFNBTDXLNTJ-DOMZBBRYSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1N(C)C ZINC000923251624 626460023 /nfs/dbraw/zinc/46/00/23/626460023.db2.gz GCYGLUUCLYFROU-DZGCQCFKSA-N 0 1 290.407 2.746 20 10 CFCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000839147365 626526182 /nfs/dbraw/zinc/52/61/82/626526182.db2.gz IQEXOKNQPJELGN-AOOOYVTPSA-N 0 1 255.745 2.703 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2(C1)CCCOC2 ZINC000839137255 626528221 /nfs/dbraw/zinc/52/82/21/626528221.db2.gz BHPCNKGTSDHLCD-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CC(C(F)F)C1 ZINC000839141692 626528452 /nfs/dbraw/zinc/52/84/52/626528452.db2.gz WKDOWEPSSAMZTE-UHFFFAOYSA-N 0 1 265.662 2.882 20 10 CFCDMN COc1cc(Cl)cc(CN[C@@H](C)c2ccn(C)n2)c1O ZINC000839190136 626530561 /nfs/dbraw/zinc/53/05/61/626530561.db2.gz CUJJKNLFFSILRL-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191611 626530793 /nfs/dbraw/zinc/53/07/93/626530793.db2.gz ILQSTRBLWFNPJM-UWVGGRQHSA-N 0 1 255.770 2.735 20 10 CFCDMN Cc1cc(CN[C@@H](C)c2ccn(C)n2)ccc1N(C)C ZINC000839194433 626531143 /nfs/dbraw/zinc/53/11/43/626531143.db2.gz PMOUMLRTYAKNTQ-ZDUSSCGKSA-N 0 1 272.396 2.645 20 10 CFCDMN Oc1cccc(Cl)c1CNCc1ccc(F)cn1 ZINC000763518945 626993541 /nfs/dbraw/zinc/99/35/41/626993541.db2.gz NBAXTQYUPRTWRA-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN CC(C)C[NH+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC(C)C ZINC000768438253 627343124 /nfs/dbraw/zinc/34/31/24/627343124.db2.gz QNBBOTZDIZKJCD-MRXNPFEDSA-N 0 1 293.407 2.932 20 10 CFCDMN CCN(CC)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000769434637 627438701 /nfs/dbraw/zinc/43/87/01/627438701.db2.gz OHBWUCOVLDPHHW-CALCHBBNSA-N 0 1 274.408 2.896 20 10 CFCDMN C[C@@H]1N(Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000769452249 627440593 /nfs/dbraw/zinc/44/05/93/627440593.db2.gz UKGDJCKVIZDTMW-ZDUSSCGKSA-N 0 1 262.397 2.752 20 10 CFCDMN CCC[C@@H]1CN(Cc2ccc(OCC)cc2O)CCO1 ZINC000769451948 627440962 /nfs/dbraw/zinc/44/09/62/627440962.db2.gz QGFQDQNAWNAOLX-OAHLLOKOSA-N 0 1 279.380 2.792 20 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2.767 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)ccc1[O-] ZINC000775498246 628032344 /nfs/dbraw/zinc/03/23/44/628032344.db2.gz ZIDJWZRKRPVELN-GWCFXTLKSA-N 0 1 294.786 2.767 20 10 CFCDMN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)ccc1[O-] ZINC000775524795 628034123 /nfs/dbraw/zinc/03/41/23/628034123.db2.gz IMOTVLFURCZXGJ-LLVKDONJSA-N 0 1 284.787 2.598 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1cc(Cl)ccc1[O-] ZINC000775551441 628036114 /nfs/dbraw/zinc/03/61/14/628036114.db2.gz MRZNEOTWWTUEIQ-RPRQWQAVSA-N 0 1 289.828 2.853 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775662154 628051389 /nfs/dbraw/zinc/05/13/89/628051389.db2.gz DASRJAZJYUXBCW-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000775674449 628053112 /nfs/dbraw/zinc/05/31/12/628053112.db2.gz BSCVDNRMZLXFQL-ZDUSSCGKSA-N 0 1 297.782 2.773 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000775680713 628055124 /nfs/dbraw/zinc/05/51/24/628055124.db2.gz HRZWMRGNKBFKCB-ZDUSSCGKSA-N 0 1 280.799 2.714 20 10 CFCDMN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000775680713 628055129 /nfs/dbraw/zinc/05/51/29/628055129.db2.gz HRZWMRGNKBFKCB-ZDUSSCGKSA-N 0 1 280.799 2.714 20 10 CFCDMN CN(Cc1cccc(Cl)c1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000775680713 628055133 /nfs/dbraw/zinc/05/51/33/628055133.db2.gz HRZWMRGNKBFKCB-ZDUSSCGKSA-N 0 1 280.799 2.714 20 10 CFCDMN C[C@@H]1OCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000775701390 628056631 /nfs/dbraw/zinc/05/66/31/628056631.db2.gz UUADSOPTUAZARJ-IUCAKERBSA-N 0 1 273.735 2.794 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000775734546 628060184 /nfs/dbraw/zinc/06/01/84/628060184.db2.gz RKAKTBGXVJZLLI-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN COc1cc(O)c(CNCc2ccc(Cl)o2)cc1OC ZINC000775774052 628065705 /nfs/dbraw/zinc/06/57/05/628065705.db2.gz KENBVSKBQJZKCC-UHFFFAOYSA-N 0 1 297.738 2.946 20 10 CFCDMN CC[C@@]1(C)COCCN1Cc1ccc(N(C)C)cc1 ZINC000775982171 628091744 /nfs/dbraw/zinc/09/17/44/628091744.db2.gz YRVAZFPBIBYXPM-INIZCTEOSA-N 0 1 262.397 2.754 20 10 CFCDMN Cc1nc(C(C)(C)NCc2cc(Cl)cc(F)c2O)no1 ZINC000776171118 628110412 /nfs/dbraw/zinc/11/04/12/628110412.db2.gz WYPBYAAWCRECEF-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN COc1cccc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779149535 628355884 /nfs/dbraw/zinc/35/58/84/628355884.db2.gz NNFOPFAWLHPOJC-JQWIXIFHSA-N 0 1 253.317 2.581 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1cc(C)c(C)cc1O ZINC000781527161 628557092 /nfs/dbraw/zinc/55/70/92/628557092.db2.gz KYDLPWFHSGIEQH-HNNXBMFYSA-N 0 1 291.391 2.927 20 10 CFCDMN Oc1ccc(F)cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000781531743 628557633 /nfs/dbraw/zinc/55/76/33/628557633.db2.gz JKLFPBGPGUITBI-LLVKDONJSA-N 0 1 275.270 2.735 20 10 CFCDMN Cc1ccc(O)c(CN2CCc3ncsc3C2)c1 ZINC000783745626 628741198 /nfs/dbraw/zinc/74/11/98/628741198.db2.gz OTRRFIZXTSHFBI-UHFFFAOYSA-N 0 1 260.362 2.715 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000788983266 629114034 /nfs/dbraw/zinc/11/40/34/629114034.db2.gz CSGTVZFFXAPQHT-BLFANLJRSA-N 0 1 279.355 2.830 20 10 CFCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC000789927866 629197967 /nfs/dbraw/zinc/19/79/67/629197967.db2.gz IQULORIBSZUXAE-UHFFFAOYSA-N 0 1 295.346 2.773 20 10 CFCDMN COc1cccc(O)c1CN1CCO[C@@H](C(C)(C)C)C1 ZINC000790932162 629272422 /nfs/dbraw/zinc/27/24/22/629272422.db2.gz VFPBXUVCVNKYSK-OAHLLOKOSA-N 0 1 279.380 2.648 20 10 CFCDMN Oc1ccccc1CNCc1nccn1-c1ccccc1 ZINC000790955296 629273468 /nfs/dbraw/zinc/27/34/68/629273468.db2.gz QDCBLROHGAWGPS-UHFFFAOYSA-N 0 1 279.343 2.868 20 10 CFCDMN CC(C)[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](C)O ZINC000792167541 629404070 /nfs/dbraw/zinc/40/40/70/629404070.db2.gz JUNHANJJACPSRI-SECBINFHSA-N 0 1 275.751 2.776 20 10 CFCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174331 629406180 /nfs/dbraw/zinc/40/61/80/629406180.db2.gz RYXQFFKBTMOITD-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@H]1O ZINC000792178363 629406628 /nfs/dbraw/zinc/40/66/28/629406628.db2.gz DBIFUFARJYVWTL-GFCCVEGCSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1noc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000792177459 629406913 /nfs/dbraw/zinc/40/69/13/629406913.db2.gz SOEZAFUWRLDVQB-ZETCQYMHSA-N 0 1 267.716 2.588 20 10 CFCDMN Cc1noc([C@H](C)NCc2cccc(Cl)c2O)n1 ZINC000792177459 629406918 /nfs/dbraw/zinc/40/69/18/629406918.db2.gz SOEZAFUWRLDVQB-ZETCQYMHSA-N 0 1 267.716 2.588 20 10 CFCDMN Cc1noc([C@H](C)NCc2c(O)ccc(Cl)c2F)n1 ZINC000792177014 629406936 /nfs/dbraw/zinc/40/69/36/629406936.db2.gz PZWHXYFOVNEWKP-LURJTMIESA-N 0 1 285.706 2.727 20 10 CFCDMN COc1cccc(O)c1CN(C)Cc1cnccc1C ZINC000793340548 629529078 /nfs/dbraw/zinc/52/90/78/629529078.db2.gz QJZRZFGVEMEJDN-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN Cc1cnc([C@@H](C)N(C)Cc2ccccc2O)cn1 ZINC000794414015 629644849 /nfs/dbraw/zinc/64/48/49/629644849.db2.gz ZDCFYWAUYLVXSD-GFCCVEGCSA-N 0 1 257.337 2.684 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794671343 629673212 /nfs/dbraw/zinc/67/32/12/629673212.db2.gz FSIZYFMKJXIGOY-KRWDZBQOSA-N 0 1 286.375 2.677 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794671343 629673216 /nfs/dbraw/zinc/67/32/16/629673216.db2.gz FSIZYFMKJXIGOY-KRWDZBQOSA-N 0 1 286.375 2.677 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCC(C)(C)C1 ZINC000794688633 629675421 /nfs/dbraw/zinc/67/54/21/629675421.db2.gz YXTFPMIXZUHVEP-SWLSCSKDSA-N 0 1 291.391 2.829 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCC(C)(C)C1 ZINC000794688633 629675425 /nfs/dbraw/zinc/67/54/25/629675425.db2.gz YXTFPMIXZUHVEP-SWLSCSKDSA-N 0 1 291.391 2.829 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)CC2=CCCOC2)c1O ZINC000852518834 634770279 /nfs/dbraw/zinc/77/02/79/634770279.db2.gz PRHMCHZJVFBYLQ-UHFFFAOYSA-N 0 1 293.338 2.512 20 10 CFCDMN COCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000802653055 630535039 /nfs/dbraw/zinc/53/50/39/630535039.db2.gz 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/nfs/dbraw/zinc/05/20/74/631052074.db2.gz XXSAEFABFPJJDL-LLVKDONJSA-N 0 1 283.393 2.873 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840175751 631225239 /nfs/dbraw/zinc/22/52/39/631225239.db2.gz NBHLQZXKLXGGQA-GOSISDBHSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840175751 631225241 /nfs/dbraw/zinc/22/52/41/631225241.db2.gz NBHLQZXKLXGGQA-GOSISDBHSA-N 0 1 298.386 2.941 20 10 CFCDMN CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000840821230 631231686 /nfs/dbraw/zinc/23/16/86/631231686.db2.gz ZYDYUYUQJJYQPG-LBPRGKRZSA-N 0 1 298.745 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)Cn2cccn2)c(Cl)c1 ZINC000840883014 631250197 /nfs/dbraw/zinc/25/01/97/631250197.db2.gz YDOMTCLZFRBALG-GFCCVEGCSA-N 0 1 293.798 2.976 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840885411 631251104 /nfs/dbraw/zinc/25/11/04/631251104.db2.gz DCHJNCYGMHQQHP-SFYZADRCSA-N 0 1 294.336 2.564 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(O)CCCC2)c(Cl)c1 ZINC000840898918 631255738 /nfs/dbraw/zinc/25/57/38/631255738.db2.gz XXPDSGWUTSZMME-UHFFFAOYSA-N 0 1 269.772 2.749 20 10 CFCDMN CC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840911393 631261122 /nfs/dbraw/zinc/26/11/22/631261122.db2.gz YZORLTBLQWKJCG-HNNXBMFYSA-N 0 1 262.397 2.672 20 10 CFCDMN CC[C@H]1COCCN1Cc1ccc(N(C)C)cc1C ZINC000840911393 631261130 /nfs/dbraw/zinc/26/11/30/631261130.db2.gz YZORLTBLQWKJCG-HNNXBMFYSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840918890 631264818 /nfs/dbraw/zinc/26/48/18/631264818.db2.gz MRMVBCVXRSXZKH-HNNXBMFYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840918890 631264820 /nfs/dbraw/zinc/26/48/20/631264820.db2.gz MRMVBCVXRSXZKH-HNNXBMFYSA-N 0 1 281.783 2.966 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1O ZINC000840921034 631265266 /nfs/dbraw/zinc/26/52/66/631265266.db2.gz MFLXVONJAPPLSX-IINYFYTJSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1O ZINC000840921034 631265271 /nfs/dbraw/zinc/26/52/71/631265271.db2.gz MFLXVONJAPPLSX-IINYFYTJSA-N 0 1 269.772 2.557 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809692841 631265523 /nfs/dbraw/zinc/26/55/23/631265523.db2.gz ICHDOWBWGNCERG-DTORHVGOSA-N 0 1 273.735 2.794 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2=CCOCC2)c(Cl)c1 ZINC000840949944 631278692 /nfs/dbraw/zinc/27/86/92/631278692.db2.gz CYSTXVXBNJIPLY-UHFFFAOYSA-N 0 1 267.756 2.790 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(Cl)c1 ZINC000840951335 631279015 /nfs/dbraw/zinc/27/90/15/631279015.db2.gz VBLUIFOTUVKDOS-ZDUSSCGKSA-N 0 1 291.725 2.556 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(Cl)c1 ZINC000840951335 631279023 /nfs/dbraw/zinc/27/90/23/631279023.db2.gz VBLUIFOTUVKDOS-ZDUSSCGKSA-N 0 1 291.725 2.556 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1csnn1 ZINC000840976743 631292387 /nfs/dbraw/zinc/29/23/87/631292387.db2.gz QNQBYDIQJXDDEK-LBPRGKRZSA-N 0 1 290.436 2.633 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841041605 631319063 /nfs/dbraw/zinc/31/90/63/631319063.db2.gz APNVQSAITGAKNI-SNVBAGLBSA-N 0 1 275.179 2.541 20 10 CFCDMN N[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841048027 631320980 /nfs/dbraw/zinc/32/09/80/631320980.db2.gz BCYGBAFCTNESPM-LLVKDONJSA-N 0 1 275.179 2.526 20 10 CFCDMN C[C@H]([NH2+]CCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000841743745 631463289 /nfs/dbraw/zinc/46/32/89/631463289.db2.gz JVTSIYHBVVXTOE-JTQLQIEISA-N 0 1 265.744 2.593 20 10 CFCDMN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841745557 631463603 /nfs/dbraw/zinc/46/36/03/631463603.db2.gz PZYKFXQGSGLKTD-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744576 631463609 /nfs/dbraw/zinc/46/36/09/631463609.db2.gz IXYIAOJNMKMPAP-SNVBAGLBSA-N 0 1 284.787 2.565 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751255 631465250 /nfs/dbraw/zinc/46/52/50/631465250.db2.gz GPSAFNHZJWSEBJ-ZWKOPEQDSA-N 0 1 269.772 3.000 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(Cl)cc1[O-] ZINC000841759498 631468246 /nfs/dbraw/zinc/46/82/46/631468246.db2.gz GQHQCPCZHSIJPO-GMOODISLSA-N 0 1 255.745 2.610 20 10 CFCDMN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000841762776 631468877 /nfs/dbraw/zinc/46/88/77/631468877.db2.gz LEKXVKLGZSXRSE-SNVBAGLBSA-N 0 1 268.788 2.790 20 10 CFCDMN CC[C@@H](CCC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841809883 631474443 /nfs/dbraw/zinc/47/44/43/631474443.db2.gz BZZGSHDXVPBZEQ-QMMMGPOBSA-N 0 1 289.734 2.918 20 10 CFCDMN CC(C)O[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000842610162 631679653 /nfs/dbraw/zinc/67/96/53/631679653.db2.gz MNINRZANGCIPHO-CQSZACIVSA-N 0 1 286.375 2.940 20 10 CFCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000842610162 631679657 /nfs/dbraw/zinc/67/96/57/631679657.db2.gz MNINRZANGCIPHO-CQSZACIVSA-N 0 1 286.375 2.940 20 10 CFCDMN Cc1cc(C)c(O)c(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000842626113 631683987 /nfs/dbraw/zinc/68/39/87/631683987.db2.gz UYFWKZSBVFRIJD-MRXNPFEDSA-N 0 1 293.432 2.717 20 10 CFCDMN COCC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000842729223 631719713 /nfs/dbraw/zinc/71/97/13/631719713.db2.gz MDBGRSZAFPKMBS-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@@H](C)C2)c(Cl)c1 ZINC000842775400 631736798 /nfs/dbraw/zinc/73/67/98/631736798.db2.gz NGJIMUKIWYUTAB-UWVGGRQHSA-N 0 1 255.745 2.621 20 10 CFCDMN CC(C)Cn1nccc1CN(C)Cc1ccccc1O ZINC000843394817 631944385 /nfs/dbraw/zinc/94/43/85/631944385.db2.gz XKXVYUDQARPLII-UHFFFAOYSA-N 0 1 273.380 2.877 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421431 631950888 /nfs/dbraw/zinc/95/08/88/631950888.db2.gz YZGYOWUSFSUJCH-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN COC(=O)[C@H](CC(C)C)N(C)Cc1cccc(C)c1O ZINC000814177618 632022829 /nfs/dbraw/zinc/02/28/29/632022829.db2.gz IUAKCRBEKIFZBY-AWEZNQCLSA-N 0 1 279.380 2.720 20 10 CFCDMN Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815007624 632187588 /nfs/dbraw/zinc/18/75/88/632187588.db2.gz BZMOKNUBQJFKEH-OKILXGFUSA-N 0 1 262.397 2.670 20 10 CFCDMN COc1ccc(N(C)CCN(C)C/C=C/Cl)cc1 ZINC000844400029 632194563 /nfs/dbraw/zinc/19/45/63/632194563.db2.gz STAXZIRUMWBIMQ-RUDMXATFSA-N 0 1 268.788 2.816 20 10 CFCDMN CN(C)C(=O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816541816 632480843 /nfs/dbraw/zinc/48/08/43/632480843.db2.gz VKOBPUICZXSQOS-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N(C)C ZINC000816563216 632485428 /nfs/dbraw/zinc/48/54/28/632485428.db2.gz OEERQDPOMGETDX-LBPRGKRZSA-N 0 1 258.365 2.585 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](C2CC2)C1 ZINC000816574126 632487746 /nfs/dbraw/zinc/48/77/46/632487746.db2.gz XWQJNQITCAPGCO-AWEZNQCLSA-N 0 1 285.746 2.796 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1O ZINC000816586193 632490072 /nfs/dbraw/zinc/49/00/72/632490072.db2.gz CFVICAXQSCAMJH-CYBMUJFWSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H](O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816594155 632491832 /nfs/dbraw/zinc/49/18/32/632491832.db2.gz RGZLYDVVFIKRSC-LBPRGKRZSA-N 0 1 259.349 2.796 20 10 CFCDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816660352 632506095 /nfs/dbraw/zinc/50/60/95/632506095.db2.gz AJGBPIVPZJYVQR-GFCCVEGCSA-N 0 1 286.778 2.711 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cc(F)ncc2F)c1 ZINC000845972666 632607245 /nfs/dbraw/zinc/60/72/45/632607245.db2.gz SIKNHJMASIUBRT-VIFPVBQESA-N 0 1 294.301 2.925 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](CC)OC[C@@H]2C)c1 ZINC000846045239 632623654 /nfs/dbraw/zinc/62/36/54/632623654.db2.gz VZTVCZBQNDFHNP-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@@H](O)c1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000846056309 632625613 /nfs/dbraw/zinc/62/56/13/632625613.db2.gz TUGAUWULKCVCBG-MRVPVSSYSA-N 0 1 298.795 2.845 20 10 CFCDMN C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413589 632625857 /nfs/dbraw/zinc/62/58/57/632625857.db2.gz 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/nfs/dbraw/zinc/67/13/90/632671390.db2.gz IDRLJPVOGQRDKW-LBPRGKRZSA-N 0 1 298.386 2.852 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccc(Cl)c1[O-] ZINC000817979967 632777230 /nfs/dbraw/zinc/77/72/30/632777230.db2.gz QRDOXCMKXPYLNU-SBMIAAHKSA-N 0 1 256.777 2.822 20 10 CFCDMN CCCC[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846894062 632836154 /nfs/dbraw/zinc/83/61/54/632836154.db2.gz PGLCVOFFMWERGQ-AWEZNQCLSA-N 0 1 290.407 2.521 20 10 CFCDMN CCCC[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846894062 632836161 /nfs/dbraw/zinc/83/61/61/632836161.db2.gz PGLCVOFFMWERGQ-AWEZNQCLSA-N 0 1 290.407 2.521 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1CO ZINC000857061557 635921761 /nfs/dbraw/zinc/92/17/61/635921761.db2.gz RYJJRPYCEYLHMU-KOLCDFICSA-N 0 1 287.762 2.635 20 10 CFCDMN CCc1cccc(CN2CC(C(=O)OC(C)(C)C)C2)c1O ZINC000848915751 633399573 /nfs/dbraw/zinc/39/95/73/633399573.db2.gz ZTMDXGPOISVLLP-UHFFFAOYSA-N 0 1 291.391 2.728 20 10 CFCDMN 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CC[N@@H+](C)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336704 777895702 /nfs/dbraw/zinc/89/57/02/777895702.db2.gz WIQILPZKCHBFCW-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)[C@@H](C)C1 ZINC001233336511 777896845 /nfs/dbraw/zinc/89/68/45/777896845.db2.gz OKLSSJJEWQHVTE-UWVGGRQHSA-N 0 1 271.307 2.670 20 10 CFCDMN CC(C)[N@H+](C)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335655 777897044 /nfs/dbraw/zinc/89/70/44/777897044.db2.gz FNBIANJGPTYTIZ-NSHDSACASA-N 0 1 284.350 2.585 20 10 CFCDMN CC(C)[N@@H+](C)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335655 777897053 /nfs/dbraw/zinc/89/70/53/777897053.db2.gz FNBIANJGPTYTIZ-NSHDSACASA-N 0 1 284.350 2.585 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cccc1C(F)(F)F ZINC001233418737 777942752 /nfs/dbraw/zinc/94/27/52/777942752.db2.gz TXCZHXOIHRFODZ-JOYOIKCWSA-N 0 1 287.281 2.632 20 10 CFCDMN C[NH+](C)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415588 777943137 /nfs/dbraw/zinc/94/31/37/777943137.db2.gz BOXIXEVQQRZKMI-NSHDSACASA-N 0 1 288.313 2.547 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452015 777958147 /nfs/dbraw/zinc/95/81/47/777958147.db2.gz HRHJLRNHPBWRRR-CABZTGNLSA-N 0 1 289.297 2.756 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452015 777958148 /nfs/dbraw/zinc/95/81/48/777958148.db2.gz HRHJLRNHPBWRRR-CABZTGNLSA-N 0 1 289.297 2.756 20 10 CFCDMN Oc1c(CN2CCOCC2)cccc1-c1ccccc1 ZINC001234992785 778347409 /nfs/dbraw/zinc/34/74/09/778347409.db2.gz RISBLZFOUMQIIC-UHFFFAOYSA-N 0 1 269.344 2.891 20 10 CFCDMN Oc1c(Br)cc(F)cc1CN1CC(F)(F)C1 ZINC001235297527 778435956 /nfs/dbraw/zinc/43/59/56/778435956.db2.gz MOXRNAJYUGWRFZ-UHFFFAOYSA-N 0 1 296.086 2.745 20 10 CFCDMN CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc(Cl)ccc1[O-] ZINC000926983703 778470668 /nfs/dbraw/zinc/47/06/68/778470668.db2.gz YEVUFDBSWCYDPS-ZWNOBZJWSA-N 0 1 296.798 2.613 20 10 CFCDMN CC(C)[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC[NH2+]1 ZINC001235474471 778502367 /nfs/dbraw/zinc/50/23/67/778502367.db2.gz AVMMYLNKJHTHHE-LBPRGKRZSA-N 0 1 286.778 2.615 20 10 CFCDMN CC(C)(C)c1ccc(CN2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001235674912 778533032 /nfs/dbraw/zinc/53/30/32/778533032.db2.gz ISWWVZOLPZPKAZ-KBPBESRZSA-N 0 1 281.371 2.594 20 10 CFCDMN CN(Cc1ccc(C(C)(C)C)cc1O)C1(C)COC1 ZINC001235678650 778534442 /nfs/dbraw/zinc/53/44/42/778534442.db2.gz KBCJHCAKECGDEM-UHFFFAOYSA-N 0 1 263.381 2.910 20 10 CFCDMN CCOC(=O)C1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235685260 778537616 /nfs/dbraw/zinc/53/76/16/778537616.db2.gz NYUUSNTYTVRDIP-UHFFFAOYSA-N 0 1 291.391 2.685 20 10 CFCDMN CC[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001235772136 778555629 /nfs/dbraw/zinc/55/56/29/778555629.db2.gz IRFZAAYBQJLELQ-JTQLQIEISA-N 0 1 289.206 2.883 20 10 CFCDMN C[N@H+](CCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000160231286 778596023 /nfs/dbraw/zinc/59/60/23/778596023.db2.gz WUYJTDUAVMKNMD-UHFFFAOYSA-N 0 1 268.788 2.573 20 10 CFCDMN C[N@@H+](CCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000160231286 778596025 /nfs/dbraw/zinc/59/60/25/778596025.db2.gz WUYJTDUAVMKNMD-UHFFFAOYSA-N 0 1 268.788 2.573 20 10 CFCDMN CCN(Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236008959 778653039 /nfs/dbraw/zinc/65/30/39/778653039.db2.gz KCFAABJZKZPTAP-SNVBAGLBSA-N 0 1 286.778 2.759 20 10 CFCDMN C[C@H]1C[C@@H]([NH3+])CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001236052679 778669913 /nfs/dbraw/zinc/66/99/13/778669913.db2.gz ULWVFPKAOBOWNO-DTWKUNHWSA-N 0 1 289.206 2.868 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)C[C@@H]1CCC[NH2+]1 ZINC001236122025 778702944 /nfs/dbraw/zinc/70/29/44/778702944.db2.gz JYWWKVSWXGKULA-VIFPVBQESA-N 0 1 289.206 2.883 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2CC[C@H]1C[NH2+]2 ZINC001236427892 778822817 /nfs/dbraw/zinc/82/28/17/778822817.db2.gz BCEOHWDVVNZKOJ-UWVGGRQHSA-N 0 1 287.190 2.635 20 10 CFCDMN COC(=O)CN(Cc1c(C)cc(C)cc1O)C1CCCC1 ZINC001231849907 778875284 /nfs/dbraw/zinc/87/52/84/778875284.db2.gz VFWJZGOFCDYJRN-UHFFFAOYSA-N 0 1 291.391 2.927 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1Cl ZINC001232266544 778915749 /nfs/dbraw/zinc/91/57/49/778915749.db2.gz OTSCQMBTSKGXLY-OAHLLOKOSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1Cl ZINC001232266544 778915750 /nfs/dbraw/zinc/91/57/50/778915750.db2.gz OTSCQMBTSKGXLY-OAHLLOKOSA-N 0 1 297.782 2.667 20 10 CFCDMN Oc1cc(CN2C[C@H]3CC[C@@H]2C3)c(O)cc1Br ZINC001236770412 778930531 /nfs/dbraw/zinc/93/05/31/778930531.db2.gz GYODQYHSUDXVAU-WCBMZHEXSA-N 0 1 298.180 2.845 20 10 CFCDMN CCc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(O)c1 ZINC001236793389 778939526 /nfs/dbraw/zinc/93/95/26/778939526.db2.gz VWERSPUNAZRRHK-HNNXBMFYSA-N 0 1 263.381 2.690 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC001236798052 778941296 /nfs/dbraw/zinc/94/12/96/778941296.db2.gz KRNDDPPBNNRCOU-OAHLLOKOSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC001236798052 778941300 /nfs/dbraw/zinc/94/13/00/778941300.db2.gz KRNDDPPBNNRCOU-OAHLLOKOSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC001236796935 778941348 /nfs/dbraw/zinc/94/13/48/778941348.db2.gz ALOZVTAGOVISNP-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC001236796935 778941351 /nfs/dbraw/zinc/94/13/51/778941351.db2.gz ALOZVTAGOVISNP-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(Cl)c1 ZINC001236800479 778943740 /nfs/dbraw/zinc/94/37/40/778943740.db2.gz ZPYBYXABTBITLI-HZMBPMFUSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c(Cl)c1 ZINC001236800479 778943743 /nfs/dbraw/zinc/94/37/43/778943743.db2.gz ZPYBYXABTBITLI-HZMBPMFUSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1Cl ZINC001236800738 778943952 /nfs/dbraw/zinc/94/39/52/778943952.db2.gz FCZYUDOBYYBLBN-PWSUYJOCSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(CN2CCCC(=O)[C@H](C)C2)c(O)c1Cl ZINC001236801990 778944723 /nfs/dbraw/zinc/94/47/23/778944723.db2.gz MFYSOADMLFVTOK-SNVBAGLBSA-N 0 1 297.782 2.855 20 10 CFCDMN COc1ccc(CN2CCOC[C@H]2C2CC2)c(O)c1Cl ZINC001236806600 778946308 /nfs/dbraw/zinc/94/63/08/778946308.db2.gz DNIFWEYLGDXWCI-LBPRGKRZSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001236807114 778946648 /nfs/dbraw/zinc/94/66/48/778946648.db2.gz BZHYSLUOBFMVHB-GDZNZVCISA-N 0 1 291.391 2.709 20 10 CFCDMN COc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1Cl ZINC001236807564 778947317 /nfs/dbraw/zinc/94/73/17/778947317.db2.gz QLENMPZHUGQFQQ-UHFFFAOYSA-N 0 1 298.814 2.582 20 10 CFCDMN COc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)c([O-])c1Cl ZINC001236807823 778947348 /nfs/dbraw/zinc/94/73/48/778947348.db2.gz SKOAAXDJRIOPPN-UHFFFAOYSA-N 0 1 298.814 2.580 20 10 CFCDMN COc1cc(C)c(C[N@@H+](C)CC2CCOCC2)c(O)c1 ZINC001236808588 778949194 /nfs/dbraw/zinc/94/91/94/778949194.db2.gz QPQDALFGOXKYRE-UHFFFAOYSA-N 0 1 279.380 2.568 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c([O-])c1Cl ZINC001236812434 778950800 /nfs/dbraw/zinc/95/08/00/778950800.db2.gz VPMITQIQIQQOGD-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])c1Cl ZINC001236812662 778951154 /nfs/dbraw/zinc/95/11/54/778951154.db2.gz ANBWUPPMWRLMQK-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN OC[C@H]1C[C@H](F)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826183 778955615 /nfs/dbraw/zinc/95/56/15/778955615.db2.gz HUTQTKXXGHFJRH-LRDDRELGSA-N 0 1 289.350 2.698 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001237041857 778996139 /nfs/dbraw/zinc/99/61/39/778996139.db2.gz NRLBEQYVOIQIDV-MRXNPFEDSA-N 0 1 299.374 2.918 20 10 CFCDMN CCOc1ccc(CN2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001237041857 778996141 /nfs/dbraw/zinc/99/61/41/778996141.db2.gz NRLBEQYVOIQIDV-MRXNPFEDSA-N 0 1 299.374 2.918 20 10 CFCDMN CSCC[N@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237128515 779021643 /nfs/dbraw/zinc/02/16/43/779021643.db2.gz QTPMPQCZKXPHEC-UHFFFAOYSA-N 0 1 263.765 2.980 20 10 CFCDMN CSCC[N@@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237128515 779021650 /nfs/dbraw/zinc/02/16/50/779021650.db2.gz QTPMPQCZKXPHEC-UHFFFAOYSA-N 0 1 263.765 2.980 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@H]1O ZINC001237121387 779016905 /nfs/dbraw/zinc/01/69/05/779016905.db2.gz LZTYJYWSXYBOOE-JOYOIKCWSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@H]1O ZINC001237121387 779016912 /nfs/dbraw/zinc/01/69/12/779016912.db2.gz LZTYJYWSXYBOOE-JOYOIKCWSA-N 0 1 287.762 2.778 20 10 CFCDMN O=C1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128622 779021344 /nfs/dbraw/zinc/02/13/44/779021344.db2.gz SPWOFBLSVJCXCC-NXEZZACHSA-N 0 1 297.757 2.986 20 10 CFCDMN O=C1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128622 779021349 /nfs/dbraw/zinc/02/13/49/779021349.db2.gz SPWOFBLSVJCXCC-NXEZZACHSA-N 0 1 297.757 2.986 20 10 CFCDMN CC(=O)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237143174 779025185 /nfs/dbraw/zinc/02/51/85/779025185.db2.gz KBTVVFMKTVMQMI-SNVBAGLBSA-N 0 1 287.281 2.822 20 10 CFCDMN Oc1cc(F)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001237282893 779067415 /nfs/dbraw/zinc/06/74/15/779067415.db2.gz HRCPJAHIQYMUNN-UHFFFAOYSA-N 0 1 273.307 2.795 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383092 779087744 /nfs/dbraw/zinc/08/77/44/779087744.db2.gz OCZFZUAQWWFZGR-SMDDNHRTSA-N 0 1 280.799 2.620 20 10 CFCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccn(C)n1 ZINC000213100189 779094687 /nfs/dbraw/zinc/09/46/87/779094687.db2.gz RELLMXCIZVEUSB-YPMHNXCESA-N 0 1 271.364 2.772 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237616365 779143941 /nfs/dbraw/zinc/14/39/41/779143941.db2.gz BSMVJCVKCKCECA-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237616914 779144237 /nfs/dbraw/zinc/14/42/37/779144237.db2.gz JQDVTFZZQZJBQG-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC001237618840 779145721 /nfs/dbraw/zinc/14/57/21/779145721.db2.gz JNDJPPOASDIRSM-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN COc1cc(CN2C[C@@H](C)C[C@H]2CF)c(O)c(OC)c1 ZINC001237670303 779158755 /nfs/dbraw/zinc/15/87/55/779158755.db2.gz SAQXFBYAKXKQGM-JQWIXIFHSA-N 0 1 283.343 2.589 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237798734 779180555 /nfs/dbraw/zinc/18/05/55/779180555.db2.gz MBJBSARIFXPFKF-ZDUSSCGKSA-N 0 1 298.789 2.855 20 10 CFCDMN O=C1CCCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800432 779181257 /nfs/dbraw/zinc/18/12/57/779181257.db2.gz OJPQZCBCGGLKQL-UHFFFAOYSA-N 0 1 271.719 2.740 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237801736 779181288 /nfs/dbraw/zinc/18/12/88/779181288.db2.gz VEKQEMZWGKOMAU-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001237801676 779181343 /nfs/dbraw/zinc/18/13/43/779181343.db2.gz UBWGODJBSRCDLO-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC001237802735 779182965 /nfs/dbraw/zinc/18/29/65/779182965.db2.gz OGRPIHRVHKFPMN-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN CC[N@@H+](CCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237805021 779183036 /nfs/dbraw/zinc/18/30/36/779183036.db2.gz DFLCQDQXTCRFBR-UHFFFAOYSA-N 0 1 274.767 2.568 20 10 CFCDMN CCN(CC[NH+](C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237805021 779183041 /nfs/dbraw/zinc/18/30/41/779183041.db2.gz DFLCQDQXTCRFBR-UHFFFAOYSA-N 0 1 274.767 2.568 20 10 CFCDMN C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804806 779183052 /nfs/dbraw/zinc/18/30/52/779183052.db2.gz HASVBOGXGMIXSL-ZDUSSCGKSA-N 0 1 298.789 2.853 20 10 CFCDMN COC[C@H]1CCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804768 779183331 /nfs/dbraw/zinc/18/33/31/779183331.db2.gz GEQKEQLPIKRYST-LLVKDONJSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933457 779209712 /nfs/dbraw/zinc/20/97/12/779209712.db2.gz CCMBRSUVYCYIFE-PSASIEDQSA-N 0 1 273.735 2.530 20 10 CFCDMN Oc1cc(Cl)c(F)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001237935398 779211765 /nfs/dbraw/zinc/21/17/65/779211765.db2.gz DRSXCLAOTGMKEG-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237935398 779211771 /nfs/dbraw/zinc/21/17/71/779211771.db2.gz DRSXCLAOTGMKEG-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001237935398 779211775 /nfs/dbraw/zinc/21/17/75/779211775.db2.gz DRSXCLAOTGMKEG-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237948619 779214263 /nfs/dbraw/zinc/21/42/63/779214263.db2.gz FNODBEYZBYVNNN-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@H]2C1 ZINC001237948619 779214268 /nfs/dbraw/zinc/21/42/68/779214268.db2.gz FNODBEYZBYVNNN-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@H]2C1 ZINC001237948619 779214271 /nfs/dbraw/zinc/21/42/71/779214271.db2.gz FNODBEYZBYVNNN-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1nccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000699896725 779413450 /nfs/dbraw/zinc/41/34/50/779413450.db2.gz XANGBIWBLIMDOI-LBPRGKRZSA-N 0 1 270.380 2.702 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001236794767 779639169 /nfs/dbraw/zinc/63/91/69/779639169.db2.gz UNRBJYQVXLGTMN-VIFPVBQESA-N 0 1 290.190 2.903 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC001237618372 779700514 /nfs/dbraw/zinc/70/05/14/779700514.db2.gz ZFNIGBXNGHOCMM-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001137831652 780856925 /nfs/dbraw/zinc/85/69/25/780856925.db2.gz IOUAPLNFKDPXLI-NHYWBVRUSA-N 0 1 265.328 2.532 20 10 CFCDMN CC[N@H+](Cc1ccccc1O)Cc1ccc(C)nc1N ZINC001143207682 780977507 /nfs/dbraw/zinc/97/75/07/780977507.db2.gz CDKPJCQZYVCPQG-UHFFFAOYSA-N 0 1 271.364 2.700 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703502448 781017242 /nfs/dbraw/zinc/01/72/42/781017242.db2.gz NRCJMPFMDBBJHB-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CC(C)(C)O1 ZINC000703544316 781024637 /nfs/dbraw/zinc/02/46/37/781024637.db2.gz YYHUTJWSRWEYPQ-VIFPVBQESA-N 0 1 271.307 2.670 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC(C)(C)O1 ZINC000703544316 781024643 /nfs/dbraw/zinc/02/46/43/781024643.db2.gz YYHUTJWSRWEYPQ-VIFPVBQESA-N 0 1 271.307 2.670 20 10 CFCDMN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839130 781169720 /nfs/dbraw/zinc/16/97/20/781169720.db2.gz SLTFCTSNYZCTQU-LBPRGKRZSA-N 0 1 295.354 2.697 20 10 CFCDMN C/C=C/C[NH2+]Cc1c([O-])cccc1Br ZINC000706843795 781208975 /nfs/dbraw/zinc/20/89/75/781208975.db2.gz DSUXCKUJXUHWEY-NSCUHMNNSA-N 0 1 256.143 2.820 20 10 CFCDMN C[C@@H]1N(Cc2cc(F)cc(F)c2O)CCOC1(C)C ZINC000708382168 781271462 /nfs/dbraw/zinc/27/14/62/781271462.db2.gz FZMMPYNYCXNXDV-VIFPVBQESA-N 0 1 271.307 2.670 20 10 CFCDMN C[N@@H+](CCOC(C)(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708386895 781271788 /nfs/dbraw/zinc/27/17/88/781271788.db2.gz YFAPYLMSDOOMIJ-UHFFFAOYSA-N 0 1 273.323 2.917 20 10 CFCDMN CN(C)C1(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708434801 781275129 /nfs/dbraw/zinc/27/51/29/781275129.db2.gz UPJKUIYVBSZUCM-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CN(Cc1cc(F)cc(F)c1[O-])CC1([NH+](C)C)CCC1 ZINC000708434801 781275134 /nfs/dbraw/zinc/27/51/34/781275134.db2.gz UPJKUIYVBSZUCM-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN Oc1c(F)cc(F)cc1CN[C@H]1CCCC1(F)F ZINC000708485872 781291197 /nfs/dbraw/zinc/29/11/97/781291197.db2.gz OWRJDACJWMCOSX-JTQLQIEISA-N 0 1 263.234 2.948 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CF)C2)c1O ZINC000711436471 781432093 /nfs/dbraw/zinc/43/20/93/781432093.db2.gz WJUVISAOMXTSDL-LLVKDONJSA-N 0 1 283.318 2.915 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CF)C2)c1[O-] ZINC000711436471 781432096 /nfs/dbraw/zinc/43/20/96/781432096.db2.gz WJUVISAOMXTSDL-LLVKDONJSA-N 0 1 283.318 2.915 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CF)C2)c1[O-] ZINC000711436471 781432099 /nfs/dbraw/zinc/43/20/99/781432099.db2.gz WJUVISAOMXTSDL-LLVKDONJSA-N 0 1 283.318 2.915 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](CF)C2)c1O ZINC000711436473 781432998 /nfs/dbraw/zinc/43/29/98/781432998.db2.gz WJUVISAOMXTSDL-NSHDSACASA-N 0 1 283.318 2.915 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC000711436473 781433003 /nfs/dbraw/zinc/43/30/03/781433003.db2.gz WJUVISAOMXTSDL-NSHDSACASA-N 0 1 283.318 2.915 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC000711436473 781433006 /nfs/dbraw/zinc/43/30/06/781433006.db2.gz WJUVISAOMXTSDL-NSHDSACASA-N 0 1 283.318 2.915 20 10 CFCDMN C[C@@H]([NH2+]CCF)c1ccc(Br)cc1[O-] ZINC000280925877 296124481 /nfs/dbraw/zinc/12/44/81/296124481.db2.gz DXTVEPICHXXBTG-SSDOTTSWSA-N 0 1 262.122 2.775 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000048948788 373236127 /nfs/dbraw/zinc/23/61/27/373236127.db2.gz VOBZRFIKRIGDLT-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000048948788 373236141 /nfs/dbraw/zinc/23/61/41/373236141.db2.gz VOBZRFIKRIGDLT-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN Cn1cc(CCC[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000113333432 376010558 /nfs/dbraw/zinc/01/05/58/376010558.db2.gz QYJLTSUQNOSHDM-UHFFFAOYSA-N 0 1 279.771 2.502 20 10 CFCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C1CC1 ZINC000113337436 376010607 /nfs/dbraw/zinc/01/06/07/376010607.db2.gz WQNWZRFJHBAOMG-SNVBAGLBSA-N 0 1 268.788 2.618 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124525692 377058523 /nfs/dbraw/zinc/05/85/23/377058523.db2.gz JXFZKAPRNYAMLU-LLVKDONJSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124525692 377058531 /nfs/dbraw/zinc/05/85/31/377058531.db2.gz JXFZKAPRNYAMLU-LLVKDONJSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000127720036 377300670 /nfs/dbraw/zinc/30/06/70/377300670.db2.gz RDPQMNQEQLGGIK-MNOVXSKESA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000127720036 377300677 /nfs/dbraw/zinc/30/06/77/377300677.db2.gz RDPQMNQEQLGGIK-MNOVXSKESA-N 0 1 269.772 2.781 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@H](CC)C2)c(O)c1 ZINC000132020305 377792033 /nfs/dbraw/zinc/79/20/33/377792033.db2.gz IBDIFGHBSKEXBY-CQSZACIVSA-N 0 1 279.380 2.792 20 10 CFCDMN C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000132959398 377890809 /nfs/dbraw/zinc/89/08/09/377890809.db2.gz ZFYOGIBWOQXIMA-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000132959398 377890815 /nfs/dbraw/zinc/89/08/15/377890815.db2.gz ZFYOGIBWOQXIMA-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180273915 380642079 /nfs/dbraw/zinc/64/20/79/380642079.db2.gz BGVGYQUCDRCQHN-CQSZACIVSA-N 0 1 267.344 2.778 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000180028203 380611603 /nfs/dbraw/zinc/61/16/03/380611603.db2.gz RLJDBGDMADULSF-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1ncsc1CN(C)Cc1cc(F)ccc1O ZINC000180069108 380615816 /nfs/dbraw/zinc/61/58/16/380615816.db2.gz UBTNTAQIVZYXQC-UHFFFAOYSA-N 0 1 266.341 2.928 20 10 CFCDMN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000180719506 380693736 /nfs/dbraw/zinc/69/37/36/380693736.db2.gz MHBURWIVCZGLOK-XJKSGUPXSA-N 0 1 285.391 2.980 20 10 CFCDMN COC[C@@H](NCc1cc(F)ccc1O)c1ccc(C)o1 ZINC000180826304 380702359 /nfs/dbraw/zinc/70/23/59/380702359.db2.gz WHPMGLIHKLRMDX-CYBMUJFWSA-N 0 1 279.311 2.910 20 10 CFCDMN C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424146 380657352 /nfs/dbraw/zinc/65/73/52/380657352.db2.gz MNPFFCSHPLYERI-AAEUAGOBSA-N 0 1 282.815 2.960 20 10 CFCDMN C[C@H]([NH2+]Cc1cnnn1C)c1ccc2ccccc2c1[O-] ZINC000287404429 380824494 /nfs/dbraw/zinc/82/44/94/380824494.db2.gz RDTIMXLZIYUFFY-NSHDSACASA-N 0 1 282.347 2.525 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(F)ccc1[O-] ZINC000287484745 380842915 /nfs/dbraw/zinc/84/29/15/380842915.db2.gz MZWKDVJFCMWMAG-WOPDTQHZSA-N 0 1 267.344 2.855 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1[O-] ZINC000368098927 380921234 /nfs/dbraw/zinc/92/12/34/380921234.db2.gz DAWCDNUWLARPFE-AAEUAGOBSA-N 0 1 289.354 2.853 20 10 CFCDMN CCCCCN1CC(=O)N[C@@H]1c1cccc(Cl)c1O ZINC000182325162 381063876 /nfs/dbraw/zinc/06/38/76/381063876.db2.gz JQBYALFGXGCPQG-AWEZNQCLSA-N 0 1 282.771 2.666 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C(C)C)C2COC2)c1O ZINC000296181855 381288792 /nfs/dbraw/zinc/28/87/92/381288792.db2.gz XUFYCTWCWBSFKU-UHFFFAOYSA-N 0 1 285.771 2.663 20 10 CFCDMN CC(C)(C)n1ncnc1CN[C@@H]1CCc2cccc(O)c21 ZINC000296527776 381435680 /nfs/dbraw/zinc/43/56/80/381435680.db2.gz RLWYSNJZLLVSSG-GFCCVEGCSA-N 0 1 286.379 2.516 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)CC2CC2)c1[O-] ZINC000184682449 381460539 /nfs/dbraw/zinc/46/05/39/381460539.db2.gz ITQMWDGDBNZLPW-UHFFFAOYSA-N 0 1 255.745 2.896 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000184682449 381460545 /nfs/dbraw/zinc/46/05/45/381460545.db2.gz ITQMWDGDBNZLPW-UHFFFAOYSA-N 0 1 255.745 2.896 20 10 CFCDMN CN1CCc2cc(CN[C@H]3CCCc4c[nH]nc43)ccc21 ZINC000370952729 381521997 /nfs/dbraw/zinc/52/19/97/381521997.db2.gz ICMTVNARGQREHK-HNNXBMFYSA-N 0 1 282.391 2.569 20 10 CFCDMN C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185190782 381559505 /nfs/dbraw/zinc/55/95/05/381559505.db2.gz MHWDJQQXROUHCW-QMTHXVAHSA-N 0 1 269.360 2.979 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000185370480 381615947 /nfs/dbraw/zinc/61/59/47/381615947.db2.gz XEKYBHSXCIPFSD-CQSZACIVSA-N 0 1 297.370 2.573 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000185370480 381615954 /nfs/dbraw/zinc/61/59/54/381615954.db2.gz XEKYBHSXCIPFSD-CQSZACIVSA-N 0 1 297.370 2.573 20 10 CFCDMN C[C@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1[O-] ZINC000185441632 381634766 /nfs/dbraw/zinc/63/47/66/381634766.db2.gz JWOZFBZWPZECOH-VIFPVBQESA-N 0 1 255.745 2.733 20 10 CFCDMN O=C1OCCC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000359865975 381648647 /nfs/dbraw/zinc/64/86/47/381648647.db2.gz FHVYEUIRVHGWNJ-UHFFFAOYSA-N 0 1 295.766 2.575 20 10 CFCDMN COC(=O)[C@H]1CCCCCN1Cc1cc(C)ccc1O ZINC000360021342 381732319 /nfs/dbraw/zinc/73/23/19/381732319.db2.gz VXTMIVOBXMIMBQ-CQSZACIVSA-N 0 1 277.364 2.618 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1[O-] ZINC000186114905 381826218 /nfs/dbraw/zinc/82/62/18/381826218.db2.gz ZRNPVOXOBMQGIB-BXKDBHETSA-N 0 1 291.782 2.977 20 10 CFCDMN COC[C@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186202956 381852303 /nfs/dbraw/zinc/85/23/03/381852303.db2.gz VMZQLPDEALUILE-GXTWGEPZSA-N 0 1 289.375 2.593 20 10 CFCDMN CC(C)n1nccc1CNCc1ccc2c(c1)CCN2C ZINC000373401351 381997005 /nfs/dbraw/zinc/99/70/05/381997005.db2.gz XLCUUTAXUPALFB-UHFFFAOYSA-N 0 1 284.407 2.746 20 10 CFCDMN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000373371656 381989494 /nfs/dbraw/zinc/98/94/94/381989494.db2.gz XIBIGKXCFMYJDH-CVEARBPZSA-N 0 1 279.355 2.826 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000375332058 382081297 /nfs/dbraw/zinc/08/12/97/382081297.db2.gz NKKVWIILFHUAOJ-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN COCC1=CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000187621797 382228142 /nfs/dbraw/zinc/22/81/42/382228142.db2.gz AOQAFIPGZWJSQV-UHFFFAOYSA-N 0 1 297.782 2.833 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000377236947 382240187 /nfs/dbraw/zinc/24/01/87/382240187.db2.gz GWXLGRCVXJWKNJ-UKRRQHHQSA-N 0 1 291.391 2.649 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(F)ccc1[O-] ZINC000188001933 382321815 /nfs/dbraw/zinc/32/18/15/382321815.db2.gz MRRWYINEFUTWPA-JTNHKYCSSA-N 0 1 267.344 2.733 20 10 CFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377890500 382365993 /nfs/dbraw/zinc/36/59/93/382365993.db2.gz VWADLTFEXSTLHF-GFCCVEGCSA-N 0 1 291.782 2.769 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000378496852 382473049 /nfs/dbraw/zinc/47/30/49/382473049.db2.gz NQYOCPHSSLIONM-LLVKDONJSA-N 0 1 275.327 2.634 20 10 CFCDMN Cn1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294808782 382529483 /nfs/dbraw/zinc/52/94/83/382529483.db2.gz DVWFSRWBKWIHJR-UHFFFAOYSA-N 0 1 283.734 2.550 20 10 CFCDMN CC[N@@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000294889057 382540075 /nfs/dbraw/zinc/54/00/75/382540075.db2.gz LMTRASFPBTVARS-UHFFFAOYSA-N 0 1 261.724 2.653 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC000191175550 382694269 /nfs/dbraw/zinc/69/42/69/382694269.db2.gz LJTTVZNBENZDHY-PRHODGIISA-N 0 1 290.190 2.902 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249987620 383368165 /nfs/dbraw/zinc/36/81/65/383368165.db2.gz ZIYDLSAQSPWKBK-OUCADQQQSA-N 0 1 267.756 2.703 20 10 CFCDMN CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435616402 383778064 /nfs/dbraw/zinc/77/80/64/383778064.db2.gz LSZPRRFILLVPBG-UHFFFAOYSA-N 0 1 299.418 2.544 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000271176886 385363799 /nfs/dbraw/zinc/36/37/99/385363799.db2.gz GJTDSGMIBRLQKY-JTQLQIEISA-N 0 1 283.755 2.573 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000271176886 385363803 /nfs/dbraw/zinc/36/38/03/385363803.db2.gz GJTDSGMIBRLQKY-JTQLQIEISA-N 0 1 283.755 2.573 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000271874443 385395369 /nfs/dbraw/zinc/39/53/69/385395369.db2.gz SSXVDOQBEPBXIG-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)[C@H](O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000272088466 385444089 /nfs/dbraw/zinc/44/40/89/385444089.db2.gz SKKJBKYBMOFWRF-AWEZNQCLSA-N 0 1 283.799 2.932 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOCC12CCCC2 ZINC000272374903 385521867 /nfs/dbraw/zinc/52/18/67/385521867.db2.gz HCKFHTMDZDQDIT-UHFFFAOYSA-N 0 1 265.328 2.676 20 10 CFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273348073 385676324 /nfs/dbraw/zinc/67/63/24/385676324.db2.gz BEMQWBDEILESRK-JJQCHNSYSA-N 0 1 289.828 2.853 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](C(N)=O)c2ccccc2)c(O)c1C ZINC000273376999 385678639 /nfs/dbraw/zinc/67/86/39/385678639.db2.gz HJYZEQLSXJGFSH-XJKSGUPXSA-N 0 1 298.386 2.886 20 10 CFCDMN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273409035 385681008 /nfs/dbraw/zinc/68/10/08/385681008.db2.gz PENCIRUSAJRYBS-QWRGUYRKSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273409033 385681181 /nfs/dbraw/zinc/68/11/81/385681181.db2.gz PENCIRUSAJRYBS-MNOVXSKESA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273433881 385682578 /nfs/dbraw/zinc/68/25/78/385682578.db2.gz WJIHZPQHJSNTQA-SNVBAGLBSA-N 0 1 279.771 2.672 20 10 CFCDMN C[C@@H](NCc1nccn1C)c1cc(Cl)ccc1O ZINC000273613418 385691459 /nfs/dbraw/zinc/69/14/59/385691459.db2.gz WTPVYBBCVFAFMG-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN CCC(CC)(CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000120493618 393934750 /nfs/dbraw/zinc/93/47/50/393934750.db2.gz HYTPTUSCSOOEKV-UHFFFAOYSA-N 0 1 271.788 2.934 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000527956694 394431743 /nfs/dbraw/zinc/43/17/43/394431743.db2.gz OSIUDHKRNTTWJG-AEGPPILISA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185109857 286829599 /nfs/dbraw/zinc/82/95/99/286829599.db2.gz BAFVIEVEWCQECN-QWRGUYRKSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000035603017 172291970 /nfs/dbraw/zinc/29/19/70/172291970.db2.gz KBTKBMCUKKUSPJ-LDYMZIIASA-N 0 1 288.185 2.576 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367738662 267114616 /nfs/dbraw/zinc/11/46/16/267114616.db2.gz BRXSQNLMCKRPIB-YPMHNXCESA-N 0 1 281.783 2.904 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1[O-] ZINC000370397282 267316657 /nfs/dbraw/zinc/31/66/57/267316657.db2.gz MNQIGOHMPXPXQJ-SKDRFNHKSA-N 0 1 291.782 2.977 20 10 CFCDMN C[C@@H]1OCCN(Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000295370592 279041429 /nfs/dbraw/zinc/04/14/29/279041429.db2.gz OJRRBMTXKSZBBC-IUCAKERBSA-N 0 1 273.735 2.794 20 10 CFCDMN CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171419 280102819 /nfs/dbraw/zinc/10/28/19/280102819.db2.gz GWRAGJIWTDSRLB-SNVBAGLBSA-N 0 1 285.771 2.819 20 10 CFCDMN CO[C@@](C)(C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000291023598 294075410 /nfs/dbraw/zinc/07/54/10/294075410.db2.gz HKCTZDUBQTWIBW-AWEZNQCLSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185801327 327845199 /nfs/dbraw/zinc/84/51/99/327845199.db2.gz QEACQYPIGAZQOI-KOLCDFICSA-N 0 1 257.761 2.857 20 10 CFCDMN CC(C)OCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551392 519764184 /nfs/dbraw/zinc/76/41/84/519764184.db2.gz DMBKTZNZMRVSPQ-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cn[nH]c2)c1[O-] ZINC000275244258 518278310 /nfs/dbraw/zinc/27/83/10/518278310.db2.gz XPAKKMSHLMMJPF-QMMMGPOBSA-N 0 1 293.754 2.822 20 10 CFCDMN CC(C)(C)[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000279831460 518981235 /nfs/dbraw/zinc/98/12/35/518981235.db2.gz BCILYWHJJZCJHE-CQSZACIVSA-N 0 1 267.344 2.778 20 10 CFCDMN CC(C)(CCCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000221384624 519211146 /nfs/dbraw/zinc/21/11/46/519211146.db2.gz MKSJAGIXIJUVRH-UHFFFAOYSA-N 0 1 271.788 2.934 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000280658919 521345478 /nfs/dbraw/zinc/34/54/78/521345478.db2.gz STCDRXZZARWOBQ-MLGOLLRUSA-N 0 1 291.391 2.790 20 10 CFCDMN CCCc1nc(C)c(CNCc2ccccc2O)o1 ZINC000291809978 521497299 /nfs/dbraw/zinc/49/72/99/521497299.db2.gz YBDOEUNEGYTKHI-UHFFFAOYSA-N 0 1 260.337 2.931 20 10 CFCDMN CCN1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551430 521658852 /nfs/dbraw/zinc/65/88/52/521658852.db2.gz FPSIREAZCVDWQS-NSHDSACASA-N 0 1 268.788 2.620 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000278553065 521872246 /nfs/dbraw/zinc/87/22/46/521872246.db2.gz ZLDNJSUJDYPRBK-UHFFFAOYSA-N 0 1 292.335 2.685 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@@H](CC)c2ccccc2O)[nH]1 ZINC000274783153 522423447 /nfs/dbraw/zinc/42/34/47/522423447.db2.gz PPWIMIIMLABMMI-PWSUYJOCSA-N 0 1 274.368 2.875 20 10 CFCDMN COC[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230663329 522678204 /nfs/dbraw/zinc/67/82/04/522678204.db2.gz XPKLYNIWSRTFPB-OCCSQVGLSA-N 0 1 289.375 2.593 20 10 CFCDMN COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000293782593 522903198 /nfs/dbraw/zinc/90/31/98/522903198.db2.gz TYBPWDSKCSZIDH-LBPRGKRZSA-N 0 1 297.370 2.625 20 10 CFCDMN CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278849129 523166318 /nfs/dbraw/zinc/16/63/18/523166318.db2.gz KTWGAJJXGRYBKW-JTQLQIEISA-N 0 1 280.324 2.541 20 10 CFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@H]1CCCCO1 ZINC000160205642 523313184 /nfs/dbraw/zinc/31/31/84/523313184.db2.gz IOXYAUCQDVUKFI-GFCCVEGCSA-N 0 1 253.317 2.532 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000280425283 524741349 /nfs/dbraw/zinc/74/13/49/524741349.db2.gz JAASTMSNQWEMMC-OAHLLOKOSA-N 0 1 279.380 2.648 20 10 CFCDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289500645 524785736 /nfs/dbraw/zinc/78/57/36/524785736.db2.gz SVFYNHYJPNKKBV-ZETCQYMHSA-N 0 1 264.152 2.512 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000279578854 525307271 /nfs/dbraw/zinc/30/72/71/525307271.db2.gz BGUZIBSOKMVIOW-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000279578854 525307277 /nfs/dbraw/zinc/30/72/77/525307277.db2.gz BGUZIBSOKMVIOW-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000274783438 525327342 /nfs/dbraw/zinc/32/73/42/525327342.db2.gz LHWJWYXQHHPWOI-VIFPVBQESA-N 0 1 257.761 2.857 20 10 CFCDMN COc1cccc(CN2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000280447203 525948060 /nfs/dbraw/zinc/94/80/60/525948060.db2.gz KXSKFIRNQSIERW-CQSZACIVSA-N 0 1 279.380 2.648 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000295361001 526332998 /nfs/dbraw/zinc/33/29/98/526332998.db2.gz NSPMQUZYCUYDHP-TZMCWYRMSA-N 0 1 285.746 2.938 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCN1CCCCC1 ZINC000083551754 526363966 /nfs/dbraw/zinc/36/39/66/526363966.db2.gz FUWYWVGSMHVVCX-UHFFFAOYSA-N 0 1 268.788 2.621 20 10 CFCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000754667634 574111802 /nfs/dbraw/zinc/11/18/02/574111802.db2.gz DMQXZXSWJCPRME-UHFFFAOYSA-N 0 1 285.391 2.788 20 10 CFCDMN C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000731843572 574130410 /nfs/dbraw/zinc/13/04/10/574130410.db2.gz RAWWQLVYEHOWES-ZDUSSCGKSA-N 0 1 290.407 2.661 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737493504 574144820 /nfs/dbraw/zinc/14/48/20/574144820.db2.gz BTHDLUMTKOIKJV-HNNXBMFYSA-N 0 1 271.316 2.650 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)O1 ZINC000732183983 574145096 /nfs/dbraw/zinc/14/50/96/574145096.db2.gz CFWDVLYKUDCJNU-GXTWGEPZSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)O1 ZINC000732183983 574145099 /nfs/dbraw/zinc/14/50/99/574145099.db2.gz CFWDVLYKUDCJNU-GXTWGEPZSA-N 0 1 286.375 2.940 20 10 CFCDMN COc1ccc(CNCc2cn3cc(C)ccc3n2)c(O)c1 ZINC000729681163 574227954 /nfs/dbraw/zinc/22/79/54/574227954.db2.gz VZTGEPLOBXMGPU-UHFFFAOYSA-N 0 1 297.358 2.647 20 10 CFCDMN C[N@@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000739631849 574241270 /nfs/dbraw/zinc/24/12/70/574241270.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N 0 1 285.299 2.808 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000756533098 574244365 /nfs/dbraw/zinc/24/43/65/574244365.db2.gz GWXMLKWIKFXPDT-GXSJLCMTSA-N 0 1 299.212 2.509 20 10 CFCDMN CCn1cnnc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756732789 574259513 /nfs/dbraw/zinc/25/95/13/574259513.db2.gz LZRCDTUZTBUFGY-SNVBAGLBSA-N 0 1 294.786 2.550 20 10 CFCDMN C[C@@H](NCc1cccc(F)n1)c1cc(F)ccc1O ZINC000756768803 574261256 /nfs/dbraw/zinc/26/12/56/574261256.db2.gz MWMVYHXRRDJZND-SECBINFHSA-N 0 1 264.275 2.916 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756883120 574270708 /nfs/dbraw/zinc/27/07/08/574270708.db2.gz UKTCBUKHXHRUEH-YOEHRIQHSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756883120 574270709 /nfs/dbraw/zinc/27/07/09/574270709.db2.gz UKTCBUKHXHRUEH-YOEHRIQHSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756883117 574270729 /nfs/dbraw/zinc/27/07/29/574270729.db2.gz UKTCBUKHXHRUEH-WMLDXEAASA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756883117 574270730 /nfs/dbraw/zinc/27/07/30/574270730.db2.gz UKTCBUKHXHRUEH-WMLDXEAASA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798864 574310222 /nfs/dbraw/zinc/31/02/22/574310222.db2.gz UACGBWFAIHHLAG-LSDHHAIUSA-N 0 1 298.386 2.799 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798864 574310223 /nfs/dbraw/zinc/31/02/23/574310223.db2.gz UACGBWFAIHHLAG-LSDHHAIUSA-N 0 1 298.386 2.799 20 10 CFCDMN C[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000820568703 604539921 /nfs/dbraw/zinc/53/99/21/604539921.db2.gz AOJNECIQLWEWEV-UHFFFAOYSA-N 0 1 271.316 2.576 20 10 CFCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000833497392 604558041 /nfs/dbraw/zinc/55/80/41/604558041.db2.gz UKZZBUUROYPAFH-UHFFFAOYSA-N 0 1 290.407 2.972 20 10 CFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000833496840 604643830 /nfs/dbraw/zinc/64/38/30/604643830.db2.gz HWLSGIIYUYMRHB-UHFFFAOYSA-N 0 1 282.359 2.577 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000250094411 604679466 /nfs/dbraw/zinc/67/94/66/604679466.db2.gz YUFGOMVHOBPLHC-YUTCNCBUSA-N 0 1 275.348 2.610 20 10 CFCDMN COc1ccc(O)c(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)c1 ZINC000315073950 605242564 /nfs/dbraw/zinc/24/25/64/605242564.db2.gz BTHZLBUAIWTUCY-UHFFFAOYSA-N 0 1 293.363 2.620 20 10 CFCDMN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834222218 605557197 /nfs/dbraw/zinc/55/71/97/605557197.db2.gz XVOHOMXPGUVYEH-JTQLQIEISA-N 0 1 298.770 2.525 20 10 CFCDMN CCCOC(=O)[C@@H](C)N(CCC)Cc1ccccc1O ZINC000160161189 617605017 /nfs/dbraw/zinc/60/50/17/617605017.db2.gz RNXPDSMDZOZIFI-CYBMUJFWSA-N 0 1 279.380 2.946 20 10 CFCDMN CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])[NH+](CC)CC ZINC000890760419 617838048 /nfs/dbraw/zinc/83/80/48/617838048.db2.gz RHTDMAALFLWUFZ-CYBMUJFWSA-N 0 1 298.814 2.782 20 10 CFCDMN CN(Cc1cn(C)nc1C1CC1)Cc1ccccc1O ZINC000891714425 617724660 /nfs/dbraw/zinc/72/46/60/617724660.db2.gz YRQWQKZVHIHKFD-UHFFFAOYSA-N 0 1 271.364 2.635 20 10 CFCDMN COc1cc(CN2CCO[C@H](C(C)C)C2)c(O)cc1C ZINC000777970185 617726050 /nfs/dbraw/zinc/72/60/50/617726050.db2.gz VQTUIDTYOWQCCD-INIZCTEOSA-N 0 1 279.380 2.566 20 10 CFCDMN CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000806169041 617806720 /nfs/dbraw/zinc/80/67/20/617806720.db2.gz HMRRHVFRCJEKLK-MNOVXSKESA-N 0 1 271.788 2.961 20 10 CFCDMN COC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000307793844 618098397 /nfs/dbraw/zinc/09/83/97/618098397.db2.gz XFEMIZOSGGEHMY-LBPRGKRZSA-N 0 1 253.317 2.532 20 10 CFCDMN CCN(Cc1cnn(CC)c1)Cc1ccc(N(C)C)cc1 ZINC000156838112 618155151 /nfs/dbraw/zinc/15/51/51/618155151.db2.gz VIZNXOQYJGMLJG-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000893994445 618261555 /nfs/dbraw/zinc/26/15/55/618261555.db2.gz MDSGPADLOKYSBX-ZDUSSCGKSA-N 0 1 293.317 2.704 20 10 CFCDMN OC[C@H]1Cc2ccccc2N1Cc1ccc(F)c(F)c1O ZINC000895241779 618493742 /nfs/dbraw/zinc/49/37/42/618493742.db2.gz IBQYKPUJYWZLCR-GFCCVEGCSA-N 0 1 291.297 2.594 20 10 CFCDMN CN(C)c1ccc(CNCc2nn(C)c3ccccc23)cc1 ZINC000727464279 618540428 /nfs/dbraw/zinc/54/04/28/618540428.db2.gz NPLULTKXIBDRRX-UHFFFAOYSA-N 0 1 294.402 2.929 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000310721064 618617842 /nfs/dbraw/zinc/61/78/42/618617842.db2.gz IGUDJEMDIIHMAA-ZWNOBZJWSA-N 0 1 269.772 2.686 20 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CC[C@]1(C)COCCN1Cc1cc(C)cc(OC)c1O ZINC000894483306 619395401 /nfs/dbraw/zinc/39/54/01/619395401.db2.gz HUTUWESOWBJFHU-MRXNPFEDSA-N 0 1 279.380 2.710 20 10 CFCDMN COc1cc(C)cc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000894911256 619511627 /nfs/dbraw/zinc/51/16/27/619511627.db2.gz FSYYHHNZCQEVPO-YPMHNXCESA-N 0 1 287.363 2.701 20 10 CFCDMN CCCc1ncc(CNCc2cc(C)cc(OC)c2O)o1 ZINC000894918974 619512970 /nfs/dbraw/zinc/51/29/70/619512970.db2.gz ZQMIZPWBJACHSH-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843828 619617345 /nfs/dbraw/zinc/61/73/45/619617345.db2.gz DAJOLPFMSVXNRW-BBRMVZONSA-N 0 1 261.365 2.702 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895843829 619617557 /nfs/dbraw/zinc/61/75/57/619617557.db2.gz DAJOLPFMSVXNRW-CJNGLKHVSA-N 0 1 261.365 2.702 20 10 CFCDMN C[C@@H](NCc1nccn1C1CC1)c1ccccc1O ZINC000895852139 619622776 /nfs/dbraw/zinc/62/27/76/619622776.db2.gz PTQSNXGIVFCSOX-LLVKDONJSA-N 0 1 257.337 2.774 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)CCCF)cc1F ZINC000895896638 619631597 /nfs/dbraw/zinc/63/15/97/619631597.db2.gz XSSZLAVYXCOWIF-UHFFFAOYSA-N 0 1 260.303 2.822 20 10 CFCDMN C[C@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCN1C ZINC000896555916 619761868 /nfs/dbraw/zinc/76/18/68/619761868.db2.gz RZSBKSRWLJEILZ-LRDDRELGSA-N 0 1 270.376 2.728 20 10 CFCDMN CCc1cccc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000896597640 619771892 /nfs/dbraw/zinc/77/18/92/619771892.db2.gz VSQNXPATNGVXII-OAHLLOKOSA-N 0 1 283.375 2.986 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000897684285 620271340 /nfs/dbraw/zinc/27/13/40/620271340.db2.gz LZWOIOCDGIXUJL-SCLBCKFNSA-N 0 1 283.371 2.872 20 10 CFCDMN CCC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC ZINC000897834647 620291402 /nfs/dbraw/zinc/29/14/02/620291402.db2.gz USJWRKLKPMNBGX-LLVKDONJSA-N 0 1 289.734 2.616 20 10 CFCDMN CN(C)c1cc(F)c(CNC/C=C/Cl)cc1F ZINC000898428495 620461152 /nfs/dbraw/zinc/46/11/52/620461152.db2.gz IQFJSQYXUFXSOE-ONEGZZNKSA-N 0 1 260.715 2.873 20 10 CFCDMN CC[C@@H](NCc1csc(N)n1)c1ccc(C)cc1O ZINC000902499377 621105407 /nfs/dbraw/zinc/10/54/07/621105407.db2.gz OCPZUHKKEXRHIF-GFCCVEGCSA-N 0 1 277.393 2.980 20 10 CFCDMN COc1cc(C)cc(CN2CCOC[C@H]2CC2CC2)c1O ZINC000902540701 621114015 /nfs/dbraw/zinc/11/40/15/621114015.db2.gz YMKWXWCFEWTUIV-OAHLLOKOSA-N 0 1 291.391 2.710 20 10 CFCDMN C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cc2c(cc1O)CCC2 ZINC000902568399 621120893 /nfs/dbraw/zinc/12/08/93/621120893.db2.gz CLDHHPZCHCJQFC-UHFFFAOYSA-N 0 1 284.359 2.614 20 10 CFCDMN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903299639 621314129 /nfs/dbraw/zinc/31/41/29/621314129.db2.gz PUGSHYJVERIRAN-MRCXROJRSA-N 0 1 285.771 2.500 20 10 CFCDMN Oc1cccc2c1[C@@H](N[C@@H](c1ncccn1)C1CC1)CC2 ZINC000903321585 621322304 /nfs/dbraw/zinc/32/23/04/621322304.db2.gz ALLTWMYUBAPDCD-XJKSGUPXSA-N 0 1 281.359 2.910 20 10 CFCDMN CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000903392241 621352027 /nfs/dbraw/zinc/35/20/27/621352027.db2.gz PLJBLERVFHHMIF-ZWNOBZJWSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903409464 621364532 /nfs/dbraw/zinc/36/45/32/621364532.db2.gz XDAXRPKBLULFMI-RNCFNFMXSA-N 0 1 269.772 2.857 20 10 CFCDMN CC(C)N1CCC[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000904505545 621603262 /nfs/dbraw/zinc/60/32/62/621603262.db2.gz YHORYWSWXJCOMA-CQSZACIVSA-N 0 1 286.379 2.788 20 10 CFCDMN C/C(=C\c1ccc(N2CCN(C)CC2)cc1)c1ncccn1 ZINC000905076682 621699165 /nfs/dbraw/zinc/69/91/65/621699165.db2.gz KGAWWCNFSBTCAS-CCEZHUSRSA-N 0 1 294.402 2.789 20 10 CFCDMN C/C(=C/c1ccc(N2CCN(C)CC2)cc1)c1ncccn1 ZINC000905076683 621699377 /nfs/dbraw/zinc/69/93/77/621699377.db2.gz KGAWWCNFSBTCAS-PFONDFGASA-N 0 1 294.402 2.789 20 10 CFCDMN Cc1ccc(O)c(CN[C@H](C)c2nnc3ccccn32)c1 ZINC000071407400 625515418 /nfs/dbraw/zinc/51/54/18/625515418.db2.gz XUXCHDIPSRCDDD-GFCCVEGCSA-N 0 1 282.347 2.594 20 10 CFCDMN CC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000227834149 623120398 /nfs/dbraw/zinc/12/03/98/623120398.db2.gz DETLVICZGFRXMA-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1nccs1 ZINC000060942179 623167325 /nfs/dbraw/zinc/16/73/25/623167325.db2.gz YRALNFAZPKUNIW-UHFFFAOYSA-N 0 1 268.769 2.834 20 10 CFCDMN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230153199 623255853 /nfs/dbraw/zinc/25/58/53/623255853.db2.gz JOKNVXNVOHEZOE-NOZJJQNGSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H](CO)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000230159750 623258806 /nfs/dbraw/zinc/25/88/06/623258806.db2.gz XMIKABOTNYBRKS-JTQLQIEISA-N 0 1 257.761 2.544 20 10 CFCDMN COC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000172921044 623317229 /nfs/dbraw/zinc/31/72/29/623317229.db2.gz XYHYTTHUTHOYTH-OAHLLOKOSA-N 0 1 293.407 2.671 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2c(C3CC3)cnn2C)cc1 ZINC000824474660 623511657 /nfs/dbraw/zinc/51/16/57/623511657.db2.gz RAIRJQFJKHMANG-UHFFFAOYSA-N 0 1 298.434 2.996 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637726 623537319 /nfs/dbraw/zinc/53/73/19/623537319.db2.gz ZJGWBRCJGLXEQF-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824649062 623539180 /nfs/dbraw/zinc/53/91/80/623539180.db2.gz AXYSEOXUNJMFOD-LLVKDONJSA-N 0 1 282.727 2.938 20 10 CFCDMN CS[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000824683393 623545028 /nfs/dbraw/zinc/54/50/28/623545028.db2.gz HIOWZHXCFKFGAS-VIFPVBQESA-N 0 1 257.786 2.983 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000824683393 623545031 /nfs/dbraw/zinc/54/50/31/623545031.db2.gz HIOWZHXCFKFGAS-VIFPVBQESA-N 0 1 257.786 2.983 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696289 623546318 /nfs/dbraw/zinc/54/63/18/623546318.db2.gz KEEQIXTYSDGGTP-UXLLHSPISA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696289 623546324 /nfs/dbraw/zinc/54/63/24/623546324.db2.gz KEEQIXTYSDGGTP-UXLLHSPISA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CF)CCOCC1 ZINC000824794704 623565979 /nfs/dbraw/zinc/56/59/79/623565979.db2.gz GQNDCQIPIYVKIS-UHFFFAOYSA-N 0 1 287.762 2.902 20 10 CFCDMN CC(=O)OC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824818193 623572388 /nfs/dbraw/zinc/57/23/88/623572388.db2.gz HDUCVOQHZUBNBE-UHFFFAOYSA-N 0 1 297.782 2.882 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C)CC[C@@H](C)O)cc1Cl ZINC000824828437 623574056 /nfs/dbraw/zinc/57/40/56/623574056.db2.gz BHIHJWZMCXYGAS-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC[C@@H](C)O)cc1Cl ZINC000824828437 623574060 /nfs/dbraw/zinc/57/40/60/623574060.db2.gz BHIHJWZMCXYGAS-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC[C@@H](C)O)cc1Cl ZINC000824828437 623574062 /nfs/dbraw/zinc/57/40/62/623574062.db2.gz BHIHJWZMCXYGAS-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845214 623575874 /nfs/dbraw/zinc/57/58/74/623575874.db2.gz IWIORDUKBJSEPO-BBRMVZONSA-N 0 1 295.810 2.932 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)cc1Cl ZINC000824849363 623578481 /nfs/dbraw/zinc/57/84/81/623578481.db2.gz FYDNJAYHSJRIRG-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)cc1Cl ZINC000824849363 623578485 /nfs/dbraw/zinc/57/84/85/623578485.db2.gz FYDNJAYHSJRIRG-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN CC[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](C)O ZINC000824921665 623589720 /nfs/dbraw/zinc/58/97/20/623589720.db2.gz OTLWFKHYDWITOI-XHDPSFHLSA-N 0 1 259.349 2.794 20 10 CFCDMN CCn1ccnc1[C@H](C)NCc1cc(F)ccc1O ZINC000825006061 623605098 /nfs/dbraw/zinc/60/50/98/623605098.db2.gz XSGPHUKPQVMUFR-JTQLQIEISA-N 0 1 263.316 2.599 20 10 CFCDMN CCOc1ccc(CN[C@@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000825017130 623607962 /nfs/dbraw/zinc/60/79/62/623607962.db2.gz MIGBZLADSZZJLU-BXUZGUMPSA-N 0 1 287.363 2.783 20 10 CFCDMN CCCc1ncc(CNCc2cccc(OC)c2O)o1 ZINC000825085831 623626073 /nfs/dbraw/zinc/62/60/73/623626073.db2.gz NVXLJSKTFRNNKQ-UHFFFAOYSA-N 0 1 276.336 2.631 20 10 CFCDMN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825186080 623646755 /nfs/dbraw/zinc/64/67/55/623646755.db2.gz VUNYLSGNYQMFAY-JTQLQIEISA-N 0 1 257.761 2.869 20 10 CFCDMN COC[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825167724 623642771 /nfs/dbraw/zinc/64/27/71/623642771.db2.gz QEWSIZWPUXOUOP-SECBINFHSA-N 0 1 257.761 2.726 20 10 CFCDMN CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825258162 623660749 /nfs/dbraw/zinc/66/07/49/623660749.db2.gz AXFFPMVWGYBACQ-AWEZNQCLSA-N 0 1 271.788 2.995 20 10 CFCDMN CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297543 623665822 /nfs/dbraw/zinc/66/58/22/623665822.db2.gz IITJFESYNBZLKB-CYBMUJFWSA-N 0 1 289.828 2.558 20 10 CFCDMN CC[C@H](O)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825359033 623680007 /nfs/dbraw/zinc/68/00/07/623680007.db2.gz WZLRWPNEDPMFNQ-NSHDSACASA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCCC2)cc1Cl ZINC000825417620 623689305 /nfs/dbraw/zinc/68/93/05/623689305.db2.gz OUMGFOJNINDBKA-UHFFFAOYSA-N 0 1 268.788 2.539 20 10 CFCDMN CC[N@H+](CCSC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000830999748 623700304 /nfs/dbraw/zinc/70/03/04/623700304.db2.gz QWUQVMIFRRNQQU-UHFFFAOYSA-N 0 1 285.384 2.919 20 10 CFCDMN CC[N@@H+](CCSC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000830999748 623700310 /nfs/dbraw/zinc/70/03/10/623700310.db2.gz QWUQVMIFRRNQQU-UHFFFAOYSA-N 0 1 285.384 2.919 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2COC(C)(C)OC2)cc1Cl ZINC000825508960 623705733 /nfs/dbraw/zinc/70/57/33/623705733.db2.gz CBAIXVHTDFCHKC-UHFFFAOYSA-N 0 1 285.771 2.595 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCC2)cc1Cl ZINC000825514933 623706900 /nfs/dbraw/zinc/70/69/00/623706900.db2.gz UJKZQSPHFJWYKJ-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCC2)cc1Cl ZINC000825514933 623706908 /nfs/dbraw/zinc/70/69/08/623706908.db2.gz UJKZQSPHFJWYKJ-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093838950 623715400 /nfs/dbraw/zinc/71/54/00/623715400.db2.gz WWYUEBURRAMUJK-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093838950 623715410 /nfs/dbraw/zinc/71/54/10/623715410.db2.gz WWYUEBURRAMUJK-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CC[C@]1(O)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825567645 623717667 /nfs/dbraw/zinc/71/76/67/623717667.db2.gz KWPHBCYMKRAPRA-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825567645 623717675 /nfs/dbraw/zinc/71/76/75/623717675.db2.gz KWPHBCYMKRAPRA-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1Cl ZINC000825635071 623728176 /nfs/dbraw/zinc/72/81/76/623728176.db2.gz VFGSQFDOVDZTDD-TVQRCGJNSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1Cl ZINC000825635071 623728184 /nfs/dbraw/zinc/72/81/84/623728184.db2.gz VFGSQFDOVDZTDD-TVQRCGJNSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1Cl ZINC000825635069 623728400 /nfs/dbraw/zinc/72/84/00/623728400.db2.gz VFGSQFDOVDZTDD-RNCFNFMXSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1Cl ZINC000825635069 623728402 /nfs/dbraw/zinc/72/84/02/623728402.db2.gz VFGSQFDOVDZTDD-RNCFNFMXSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCCCCO)cc1Cl ZINC000825726688 623747062 /nfs/dbraw/zinc/74/70/62/623747062.db2.gz VSCGJIWFXDHVQB-UHFFFAOYSA-N 0 1 271.788 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCCCCO)cc1Cl ZINC000825726688 623747067 /nfs/dbraw/zinc/74/70/67/623747067.db2.gz VSCGJIWFXDHVQB-UHFFFAOYSA-N 0 1 271.788 2.948 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H](C)O)cc1Cl ZINC000825726056 623747121 /nfs/dbraw/zinc/74/71/21/623747121.db2.gz DNSZDSIYENKJHN-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN CC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000825949406 623773318 /nfs/dbraw/zinc/77/33/18/623773318.db2.gz UDQITIMUWFXUTB-LLVKDONJSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1Cl ZINC000826123075 623796994 /nfs/dbraw/zinc/79/69/94/623796994.db2.gz FRYZBDOSTGZKAP-WCQYABFASA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)C2CCC2)cc1Cl ZINC000826868336 623899283 /nfs/dbraw/zinc/89/92/83/623899283.db2.gz QYFUKMLGQFZLRN-ZDUSSCGKSA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000834826610 623899631 /nfs/dbraw/zinc/89/96/31/623899631.db2.gz FRLXXAJCEPHRFV-OIBJUYFYSA-N 0 1 274.267 2.995 20 10 CFCDMN CCOc1cccc(CN2CCO[C@](C)(C3CC3)C2)c1O ZINC000826877574 623901229 /nfs/dbraw/zinc/90/12/29/623901229.db2.gz JLLYZFKVVBMBIS-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279992 623980157 /nfs/dbraw/zinc/98/01/57/623980157.db2.gz COJSOLATAGPMKK-DOMZBBRYSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279992 623980160 /nfs/dbraw/zinc/98/01/60/623980160.db2.gz COJSOLATAGPMKK-DOMZBBRYSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279992 623980163 /nfs/dbraw/zinc/98/01/63/623980163.db2.gz COJSOLATAGPMKK-DOMZBBRYSA-N 0 1 281.783 2.822 20 10 CFCDMN C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282302 623981258 /nfs/dbraw/zinc/98/12/58/623981258.db2.gz LYGFQGJORQIBAU-FZMZJTMJSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282302 623981262 /nfs/dbraw/zinc/98/12/62/623981262.db2.gz LYGFQGJORQIBAU-FZMZJTMJSA-N 0 1 267.756 2.514 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)CC2CC2)cc1Cl ZINC000827359925 623992992 /nfs/dbraw/zinc/99/29/92/623992992.db2.gz WKRYREPQXDBCGQ-LBPRGKRZSA-N 0 1 283.799 2.852 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827602308 624043591 /nfs/dbraw/zinc/04/35/91/624043591.db2.gz NGSHPYPVWJDVMS-KOLCDFICSA-N 0 1 285.746 2.653 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1(CO)CCC1 ZINC000827903576 624124061 /nfs/dbraw/zinc/12/40/61/624124061.db2.gz KNZYVHYKOOJGHZ-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@H]([NH2+]CCOCCF)c1ccc(Cl)cc1[O-] ZINC000853236770 634947706 /nfs/dbraw/zinc/94/77/06/634947706.db2.gz GWVCFYQACQWPAD-VIFPVBQESA-N 0 1 261.724 2.682 20 10 CFCDMN C[C@H](N[C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769571 625844090 /nfs/dbraw/zinc/84/40/90/625844090.db2.gz NTGFUZUOUNQHJA-WFASDCNBSA-N 0 1 270.380 2.745 20 10 CFCDMN Cc1ccc2nc(CN(C)Cc3ccccc3O)cn2c1 ZINC000084075405 626007281 /nfs/dbraw/zinc/00/72/81/626007281.db2.gz FQHFFSFMKKSOAA-UHFFFAOYSA-N 0 1 281.359 2.980 20 10 CFCDMN CCc1cc(CNCc2ccc3c(c2)CCCO3)[nH]n1 ZINC000921741064 626102632 /nfs/dbraw/zinc/10/26/32/626102632.db2.gz CEAUBGNRZBKLNO-UHFFFAOYSA-N 0 1 271.364 2.587 20 10 CFCDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)ccc1N(C)C ZINC000851706490 634479358 /nfs/dbraw/zinc/47/93/58/634479358.db2.gz AWTDEXAKMTZNOF-UHFFFAOYSA-N 0 1 290.407 2.890 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)[C@H]2C)c(Cl)c1 ZINC000922555593 626310487 /nfs/dbraw/zinc/31/04/87/626310487.db2.gz UPCULDASEWQEDJ-GXFFZTMASA-N 0 1 268.788 2.536 20 10 CFCDMN CCc1onc(C)c1CNCc1ccc2c(c1)CCO2 ZINC000922987244 626439708 /nfs/dbraw/zinc/43/97/08/626439708.db2.gz CHQUUQOASRSJKL-UHFFFAOYSA-N 0 1 272.348 2.770 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253804 626459594 /nfs/dbraw/zinc/45/95/94/626459594.db2.gz KXRWFNBTDXLNTJ-IUODEOHRSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1N(C)C ZINC000923251626 626460122 /nfs/dbraw/zinc/46/01/22/626460122.db2.gz GCYGLUUCLYFROU-HIFRSBDPSA-N 0 1 290.407 2.746 20 10 CFCDMN Cc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)ccc1N(C)C ZINC000923261038 626460513 /nfs/dbraw/zinc/46/05/13/626460513.db2.gz XCRNKJBSICWPLN-UHFFFAOYSA-N 0 1 292.423 2.994 20 10 CFCDMN CCOC1CN(Cc2ccc3ccccc3c2O)C1 ZINC000839131300 626527794 /nfs/dbraw/zinc/52/77/94/626527794.db2.gz RCQWWWZKCCNNPZ-UHFFFAOYSA-N 0 1 257.333 2.766 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@H](C3CCC3)C2)cc1 ZINC000839625670 626548866 /nfs/dbraw/zinc/54/88/66/626548866.db2.gz OCVVXVGKGLDNMQ-KRWDZBQOSA-N 0 1 274.408 2.754 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)c2c1c(F)ccc2[O-] ZINC000757657700 626557474 /nfs/dbraw/zinc/55/74/74/626557474.db2.gz PFLYTJOJVVMNAO-CMPLNLGQSA-N 0 1 279.355 2.832 20 10 CFCDMN Cc1cc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)n[nH]1 ZINC000760427426 626745283 /nfs/dbraw/zinc/74/52/83/626745283.db2.gz MMYIPZRPBVSAND-UHFFFAOYSA-N 0 1 291.376 2.505 20 10 CFCDMN COc1cc(Cl)cc(CN2CC=CCC2)c1O ZINC000761214279 626816075 /nfs/dbraw/zinc/81/60/75/626816075.db2.gz ASKADPSABADUOU-UHFFFAOYSA-N 0 1 253.729 2.816 20 10 CFCDMN COc1cc(Cl)cc(CN2CCOCC3(CC3)C2)c1O ZINC000761215672 626816589 /nfs/dbraw/zinc/81/65/89/626816589.db2.gz LKJVFZHGODPKBZ-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN Cn1nc(CNCc2cc(F)ccc2O)c2ccccc21 ZINC000761225424 626817437 /nfs/dbraw/zinc/81/74/37/626817437.db2.gz HNKJEGGOCFNLPF-UHFFFAOYSA-N 0 1 285.322 2.708 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CCO)CC1 ZINC000768238361 627327624 /nfs/dbraw/zinc/32/76/24/627327624.db2.gz YRXXEJCJSKCPEV-UHFFFAOYSA-N 0 1 269.772 2.640 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768439407 627343294 /nfs/dbraw/zinc/34/32/94/627343294.db2.gz LGXKFGBNUQWGGF-HNNXBMFYSA-N 0 1 277.364 2.583 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768439407 627343296 /nfs/dbraw/zinc/34/32/96/627343296.db2.gz LGXKFGBNUQWGGF-HNNXBMFYSA-N 0 1 277.364 2.583 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H](C)C(C)C ZINC000768440013 627343454 /nfs/dbraw/zinc/34/34/54/627343454.db2.gz NBMKMMZUIUEUPN-XHDPSFHLSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H](C)C(C)C ZINC000768440013 627343457 /nfs/dbraw/zinc/34/34/57/627343457.db2.gz NBMKMMZUIUEUPN-XHDPSFHLSA-N 0 1 279.380 2.684 20 10 CFCDMN CC(C)(C)C[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000769337992 627426415 /nfs/dbraw/zinc/42/64/15/627426415.db2.gz NEXWDNGDQACMQQ-UHFFFAOYSA-N 0 1 271.788 2.886 20 10 CFCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000769337992 627426417 /nfs/dbraw/zinc/42/64/17/627426417.db2.gz NEXWDNGDQACMQQ-UHFFFAOYSA-N 0 1 271.788 2.886 20 10 CFCDMN CCn1cc(CN(C)Cc2cc(C)ccc2O)cn1 ZINC000769428963 627437562 /nfs/dbraw/zinc/43/75/62/627437562.db2.gz XOKJDRNSWSKHSV-UHFFFAOYSA-N 0 1 259.353 2.549 20 10 CFCDMN CCOc1ccc(O)c(CN(C)Cc2cnn(CC)c2)c1 ZINC000769426748 627437740 /nfs/dbraw/zinc/43/77/40/627437740.db2.gz HOFIEQPLVIFPHM-UHFFFAOYSA-N 0 1 289.379 2.639 20 10 CFCDMN C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769541445 627454148 /nfs/dbraw/zinc/45/41/48/627454148.db2.gz BILNYHFZOQIEBR-UHFFFAOYSA-N 0 1 295.726 2.914 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000773752410 627854376 /nfs/dbraw/zinc/85/43/76/627854376.db2.gz AQRJCVWLKZHNEA-IYBDPMFKSA-N 0 1 260.381 2.506 20 10 CFCDMN CCN(C)c1ccc(CN2CCC[C@@]2(C)C(=O)OC)cc1 ZINC000773846880 627863764 /nfs/dbraw/zinc/86/37/64/627863764.db2.gz LJWDKWDZAICBEH-KRWDZBQOSA-N 0 1 290.407 2.670 20 10 CFCDMN CC[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774911074 627978154 /nfs/dbraw/zinc/97/81/54/627978154.db2.gz WUNHHFFWMBFLHT-OAHLLOKOSA-N 0 1 294.351 2.931 20 10 CFCDMN CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775413402 628023121 /nfs/dbraw/zinc/02/31/21/628023121.db2.gz CHTZOUHNNZWVHT-GDBMZVCRSA-N 0 1 284.359 2.660 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775508425 628032203 /nfs/dbraw/zinc/03/22/03/628032203.db2.gz BSWRKXPSIWCNCC-SKDRFNHKSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000775492417 628030759 /nfs/dbraw/zinc/03/07/59/628030759.db2.gz NVTSZWAMJXCGAE-OLZOCXBDSA-N 0 1 296.798 2.755 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000775492421 628031570 /nfs/dbraw/zinc/03/15/70/628031570.db2.gz NVTSZWAMJXCGAE-QWHCGFSZSA-N 0 1 296.798 2.755 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000775493799 628031652 /nfs/dbraw/zinc/03/16/52/628031652.db2.gz VMEIJCGDVSOUQA-DGCLKSJQSA-N 0 1 285.771 2.502 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775512900 628032876 /nfs/dbraw/zinc/03/28/76/628032876.db2.gz RYMHUCYAFTVBMG-QWHCGFSZSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H]([NH2+]CCN1CCC1)c1cc(Cl)ccc1[O-] ZINC000775522955 628033978 /nfs/dbraw/zinc/03/39/78/628033978.db2.gz CJXJOOWQOPMNFK-CYBMUJFWSA-N 0 1 268.788 2.792 20 10 CFCDMN CCCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638485 628048478 /nfs/dbraw/zinc/04/84/78/628048478.db2.gz FENUVSJADQNFDU-UHFFFAOYSA-N 0 1 275.751 2.779 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC000775716759 628058527 /nfs/dbraw/zinc/05/85/27/628058527.db2.gz NLPNXLSMNZBVJW-ZDUSSCGKSA-N 0 1 285.746 2.796 20 10 CFCDMN COc1cc(O)c(CN2CC[C@@H](C)[C@H](F)C2)cc1OC ZINC000777969414 628269237 /nfs/dbraw/zinc/26/92/37/628269237.db2.gz RSJWCDPOIGLHEP-ZYHUDNBSSA-N 0 1 283.343 2.589 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1[O-] ZINC000779061061 628349103 /nfs/dbraw/zinc/34/91/03/628349103.db2.gz IYDONVZDGZLAIS-CMPLNLGQSA-N 0 1 291.782 2.908 20 10 CFCDMN Cc1ccc([C@H](C)NCc2cc(C(N)=O)co2)c(O)c1C ZINC000779069195 628349664 /nfs/dbraw/zinc/34/96/64/628349664.db2.gz NXESZNRMZWBWFG-NSHDSACASA-N 0 1 288.347 2.552 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779209277 628360577 /nfs/dbraw/zinc/36/05/77/628360577.db2.gz UIVQEHCYZRBQDQ-UHFFFAOYSA-N 0 1 291.725 2.638 20 10 CFCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892909 628503105 /nfs/dbraw/zinc/50/31/05/628503105.db2.gz RDVKHTHAJLZRSE-GHMZBOCLSA-N 0 1 269.772 2.638 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783737971 628739580 /nfs/dbraw/zinc/73/95/80/628739580.db2.gz RCUBKPXKHTVQFP-XQQFMLRXSA-N 0 1 279.380 2.789 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738462 628740192 /nfs/dbraw/zinc/74/01/92/628740192.db2.gz WIPDMCRRDOSQCM-AVGNSLFASA-N 0 1 279.380 2.789 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CC=CCC1 ZINC000784017119 628763929 /nfs/dbraw/zinc/76/39/29/628763929.db2.gz VYYDFFIQKLNOER-WBMJQRKESA-N 0 1 289.375 2.606 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CC=CCC1 ZINC000784017119 628763932 /nfs/dbraw/zinc/76/39/32/628763932.db2.gz VYYDFFIQKLNOER-WBMJQRKESA-N 0 1 289.375 2.606 20 10 CFCDMN CN(C)c1ccc(/C=C/CN[C@H]2CCn3ccnc32)cc1 ZINC000835055804 629360049 /nfs/dbraw/zinc/36/00/49/629360049.db2.gz ZKUZGKCGHBKJFF-CWDCEQMOSA-N 0 1 282.391 2.697 20 10 CFCDMN CON1CCC([N@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000835076768 629372698 /nfs/dbraw/zinc/37/26/98/629372698.db2.gz VGSRXKUBVCOYOR-UHFFFAOYSA-N 0 1 284.787 2.503 20 10 CFCDMN CON1CCC([N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000835076768 629372701 /nfs/dbraw/zinc/37/27/01/629372701.db2.gz VGSRXKUBVCOYOR-UHFFFAOYSA-N 0 1 284.787 2.503 20 10 CFCDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792173853 629405350 /nfs/dbraw/zinc/40/53/50/629405350.db2.gz 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COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000809701493 631268317 /nfs/dbraw/zinc/26/83/17/631268317.db2.gz YAVYIMOVGWTOAK-UONOGXRCSA-N 0 1 293.407 2.916 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)C2CC2)c(Cl)c1 ZINC000840947892 631276511 /nfs/dbraw/zinc/27/65/11/631276511.db2.gz BRIUPBUUOKNSDI-CQSZACIVSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)C2CC2)c(Cl)c1 ZINC000840947892 631276517 /nfs/dbraw/zinc/27/65/17/631276517.db2.gz BRIUPBUUOKNSDI-CQSZACIVSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c(Cl)c1 ZINC000840949469 631277272 /nfs/dbraw/zinc/27/72/72/631277272.db2.gz WHHSLYXIXKBTCX-XHDPSFHLSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H](C)O ZINC000840950725 631279718 /nfs/dbraw/zinc/27/97/18/631279718.db2.gz NJCBMUMXIXTXMS-JOYOIKCWSA-N 0 1 257.761 2.603 20 10 CFCDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975952 631291689 /nfs/dbraw/zinc/29/16/89/631291689.db2.gz ATDQTUAROMQRDZ-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000809934185 631302007 /nfs/dbraw/zinc/30/20/07/631302007.db2.gz KOQLEHFYEOYHTR-UHFFFAOYSA-N 0 1 273.380 2.989 20 10 CFCDMN COCC1([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841749211 631464234 /nfs/dbraw/zinc/46/42/34/631464234.db2.gz BOTBHJDKWJEHLR-SECBINFHSA-N 0 1 255.745 2.875 20 10 CFCDMN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCOC1 ZINC000841754123 631467107 /nfs/dbraw/zinc/46/71/07/631467107.db2.gz ZKSIAHVLOOQFMM-IINYFYTJSA-N 0 1 285.771 2.502 20 10 CFCDMN COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756789 631467119 /nfs/dbraw/zinc/46/71/19/631467119.db2.gz KDRSVDVKVBETER-JQWIXIFHSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841757363 631467853 /nfs/dbraw/zinc/46/78/53/631467853.db2.gz NRHONDPKVKQJJA-ONGXEEELSA-N 0 1 255.745 2.875 20 10 CFCDMN COc1cc(C)cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000842641676 631689810 /nfs/dbraw/zinc/68/98/10/631689810.db2.gz DPLREWFVKUEFKV-CYBMUJFWSA-N 0 1 291.391 2.853 20 10 CFCDMN CN(C)c1ccc(/C=C/CNCc2ccno2)cc1 ZINC000843402868 631945741 /nfs/dbraw/zinc/94/57/41/631945741.db2.gz QGKAVMQFERJGGA-ONEGZZNKSA-N 0 1 257.337 2.544 20 10 CFCDMN C/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684870 631949675 /nfs/dbraw/zinc/94/96/75/631949675.db2.gz PCLDMJNSNDJRLY-IHWYPQMZSA-N 0 1 260.120 2.891 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000843433426 631958618 /nfs/dbraw/zinc/95/86/18/631958618.db2.gz ZTAQSIUQVNYIJD-RISCZKNCSA-N 0 1 257.333 2.812 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)OC3(CCC3)C2)c1O ZINC000843435252 631959574 /nfs/dbraw/zinc/95/95/74/631959574.db2.gz LJHWVDXDWLLYQN-ZDUSSCGKSA-N 0 1 291.391 2.934 20 10 CFCDMN Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)ccc1N(C)C ZINC000815011378 632187263 /nfs/dbraw/zinc/18/72/63/632187263.db2.gz LBABTTQXFMLBCR-UONOGXRCSA-N 0 1 262.397 2.670 20 10 CFCDMN C[C@H](NCc1cnn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000815136157 632213558 /nfs/dbraw/zinc/21/35/58/632213558.db2.gz PSKJAOWNTXJCPI-NSHDSACASA-N 0 1 292.814 2.990 20 10 CFCDMN CNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483294 632468266 /nfs/dbraw/zinc/46/82/66/632468266.db2.gz NBAKRCSCMUGWDB-UHFFFAOYSA-N 0 1 298.386 2.503 20 10 CFCDMN [O-]c1c(C[NH+]2CCC(O)CC2)ccc2ccccc21 ZINC000816481901 632468621 /nfs/dbraw/zinc/46/86/21/632468621.db2.gz MJBAUUZFQSGIPW-UHFFFAOYSA-N 0 1 257.333 2.502 20 10 CFCDMN NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816498176 632471676 /nfs/dbraw/zinc/47/16/76/632471676.db2.gz JSIRFTHGRBUWRC-HNNXBMFYSA-N 0 1 298.386 2.775 20 10 CFCDMN NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816498176 632471682 /nfs/dbraw/zinc/47/16/82/632471682.db2.gz JSIRFTHGRBUWRC-HNNXBMFYSA-N 0 1 298.386 2.775 20 10 CFCDMN CC1(O)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816513197 632475507 /nfs/dbraw/zinc/47/55/07/632475507.db2.gz JMLFEXAJYBGBQP-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H]2CCOC2)ccc2ccccc21 ZINC000816535405 632479330 /nfs/dbraw/zinc/47/93/30/632479330.db2.gz NSOZTAXULRELKC-LBPRGKRZSA-N 0 1 257.333 2.672 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCN(C3CC3)C2)ccc2ccccc21 ZINC000816548909 632481425 /nfs/dbraw/zinc/48/14/25/632481425.db2.gz XEHYJYOTJOYPNT-HNNXBMFYSA-N 0 1 282.387 2.872 20 10 CFCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816549102 632482149 /nfs/dbraw/zinc/48/21/49/632482149.db2.gz DJUMKEZNTKCKNI-QGZVFWFLSA-N 0 1 271.360 2.796 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc2ccccc21 ZINC000816552179 632483381 /nfs/dbraw/zinc/48/33/81/632483381.db2.gz CXQLYYITRMTPSM-OAHLLOKOSA-N 0 1 293.370 2.916 20 10 CFCDMN NC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000816563232 632484887 /nfs/dbraw/zinc/48/48/87/632484887.db2.gz OZBDLJNGSKCFDZ-UHFFFAOYSA-N 0 1 298.386 2.681 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2C=C[C@H](CO)C2)ccc2ccccc12 ZINC000816564240 632485261 /nfs/dbraw/zinc/48/52/61/632485261.db2.gz YOPZEWJQTMWZOU-SWLSCSKDSA-N 0 1 269.344 2.572 20 10 CFCDMN 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DABIGHGAWVBCBK-LBPRGKRZSA-N 0 1 286.778 2.711 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCC[N@H+]1C ZINC000817417111 632627287 /nfs/dbraw/zinc/62/72/87/632627287.db2.gz DABIGHGAWVBCBK-LBPRGKRZSA-N 0 1 286.778 2.711 20 10 CFCDMN CON1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000817418357 632627762 /nfs/dbraw/zinc/62/77/62/632627762.db2.gz NANTZKRXPQHJFO-UHFFFAOYSA-N 0 1 286.375 2.661 20 10 CFCDMN CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846193755 632659025 /nfs/dbraw/zinc/65/90/25/632659025.db2.gz OBHPGCOBKHLLPJ-ZFWWWQNUSA-N 0 1 299.798 2.628 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])ccc1N(C)C ZINC000846274521 632681506 /nfs/dbraw/zinc/68/15/06/632681506.db2.gz LWENTUHCSQRWOD-CQSZACIVSA-N 0 1 276.380 2.500 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846281399 632683982 /nfs/dbraw/zinc/68/39/82/632683982.db2.gz XKHCAFCYRUZGFH-WBMJQRKESA-N 0 1 290.407 2.746 20 10 CFCDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881440 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/nfs/dbraw/zinc/70/05/08/648700508.db2.gz BGFCAFLPDRPZOE-CMPLNLGQSA-N 0 1 285.771 2.502 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](CC)CO ZINC000930350697 649235478 /nfs/dbraw/zinc/23/54/78/649235478.db2.gz JDPMVZXXXDOIBX-CQSZACIVSA-N 0 1 251.370 2.765 20 10 CFCDMN Cc1cc(CN2Cc3c[nH]nc3[C@H](C)C2)ccc1N(C)C ZINC000931461417 649432972 /nfs/dbraw/zinc/43/29/72/649432972.db2.gz FAFHRQNGRUQFDJ-CYBMUJFWSA-N 0 1 284.407 2.903 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1cccnc1 ZINC000114507016 651236868 /nfs/dbraw/zinc/23/68/68/651236868.db2.gz FBBIWFGGSNKQBB-UHFFFAOYSA-N 0 1 278.739 2.609 20 10 CFCDMN CC(C)C[NH+]1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140463094 770669506 /nfs/dbraw/zinc/66/95/06/770669506.db2.gz SDPGNBXNFBHHGC-UHFFFAOYSA-N 0 1 282.815 2.819 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485165 770721848 /nfs/dbraw/zinc/72/18/48/770721848.db2.gz RSISGEGPUXGISE-VHSXEESVSA-N 0 1 283.755 2.588 20 10 CFCDMN Cc1[nH]c(C[N@H+](C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC001140497877 770765414 /nfs/dbraw/zinc/76/54/14/770765414.db2.gz VHCCVDXTMPZVHD-UHFFFAOYSA-N 0 1 288.347 2.667 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001140583556 770964688 /nfs/dbraw/zinc/96/46/88/770964688.db2.gz LHLFLJRDNATJPI-CQSZACIVSA-N 0 1 291.301 2.798 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001140583556 770964693 /nfs/dbraw/zinc/96/46/93/770964693.db2.gz LHLFLJRDNATJPI-CQSZACIVSA-N 0 1 291.301 2.798 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@H](C)C1 ZINC001140584647 770970642 /nfs/dbraw/zinc/97/06/42/770970642.db2.gz ACIHOIZFMAYEFY-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690789858 775454767 /nfs/dbraw/zinc/45/47/67/775454767.db2.gz LHNRJRADNIZKOP-QWRGUYRKSA-N 0 1 267.756 2.514 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690789858 775454774 /nfs/dbraw/zinc/45/47/74/775454774.db2.gz LHNRJRADNIZKOP-QWRGUYRKSA-N 0 1 267.756 2.514 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001231448773 777221138 /nfs/dbraw/zinc/22/11/38/777221138.db2.gz BBQGDYHHYJMATP-YPMHNXCESA-N 0 1 275.348 2.712 20 10 CFCDMN CCC(CC)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231453317 777222610 /nfs/dbraw/zinc/22/26/10/777222610.db2.gz GKTYHSNFEFMJKH-UHFFFAOYSA-N 0 1 251.326 2.711 20 10 CFCDMN C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452048 777222747 /nfs/dbraw/zinc/22/27/47/777222747.db2.gz BQEISWDMCZPWHB-UHFFFAOYSA-N 0 1 277.345 2.784 20 10 CFCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CCCC1 ZINC001231455504 777222777 /nfs/dbraw/zinc/22/27/77/777222777.db2.gz QHAOKGGGQZYJPA-UHFFFAOYSA-N 0 1 263.337 2.712 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001231455915 777224001 /nfs/dbraw/zinc/22/40/01/777224001.db2.gz XLYDYYLCLPKJGF-SMDDNHRTSA-N 0 1 275.348 2.855 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001231560746 777259687 /nfs/dbraw/zinc/25/96/87/777259687.db2.gz LKTWTAVLJKFQTD-PWSUYJOCSA-N 0 1 297.301 2.568 20 10 CFCDMN CC1(C(N)=O)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590264 777268449 /nfs/dbraw/zinc/26/84/49/777268449.db2.gz PEWHOEAXJZMAAP-UHFFFAOYSA-N 0 1 298.386 2.633 20 10 CFCDMN CCN1C[C@@H](C)N(Cc2c(O)ccc3ccccc32)CC1=O ZINC001231590933 777272296 /nfs/dbraw/zinc/27/22/96/777272296.db2.gz QFPICIGTKJRHJC-CYBMUJFWSA-N 0 1 298.386 2.598 20 10 CFCDMN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cccc(C)c1O ZINC001231593990 777273038 /nfs/dbraw/zinc/27/30/38/777273038.db2.gz QPBCEUQLHBVXBJ-IUODEOHRSA-N 0 1 291.391 2.864 20 10 CFCDMN COC(=O)[C@H](C(C)C)N(C)Cc1c(C)cc(C)cc1O ZINC001231846130 777349289 /nfs/dbraw/zinc/34/92/89/777349289.db2.gz BNZNCJOIXCSYPF-HNNXBMFYSA-N 0 1 279.380 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Cl ZINC001231870073 777359242 /nfs/dbraw/zinc/35/92/42/777359242.db2.gz IBMJYQQDVIYUGY-IXPVHAAZSA-N 0 1 281.783 2.821 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Cl ZINC001231870073 777359251 /nfs/dbraw/zinc/35/92/51/777359251.db2.gz IBMJYQQDVIYUGY-IXPVHAAZSA-N 0 1 281.783 2.821 20 10 CFCDMN Cc1cc(O)c(CN(C)Cc2cncnc2)cc1Cl ZINC001231871553 777359767 /nfs/dbraw/zinc/35/97/67/777359767.db2.gz NRSOIICPPAAFDV-UHFFFAOYSA-N 0 1 277.755 2.776 20 10 CFCDMN COC(=O)[C@@H]1CCCN1Cc1ccc2ccccc2c1O ZINC001231879898 777362327 /nfs/dbraw/zinc/36/23/27/777362327.db2.gz VCSKILGLDBTDGE-HNNXBMFYSA-N 0 1 285.343 2.683 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)ccc2ccccc12 ZINC001231879552 777363114 /nfs/dbraw/zinc/36/31/14/777363114.db2.gz IFPLYLNUEHBRSP-JKSUJKDBSA-N 0 1 289.350 2.840 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)ccc2ccccc12 ZINC001231879552 777363119 /nfs/dbraw/zinc/36/31/19/777363119.db2.gz IFPLYLNUEHBRSP-JKSUJKDBSA-N 0 1 289.350 2.840 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231880579 777363732 /nfs/dbraw/zinc/36/37/32/777363732.db2.gz IRTFWJYECVTCNX-DOMZBBRYSA-N 0 1 271.360 2.891 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231880579 777363739 /nfs/dbraw/zinc/36/37/39/777363739.db2.gz IRTFWJYECVTCNX-DOMZBBRYSA-N 0 1 271.360 2.891 20 10 CFCDMN Oc1c(CN2CCc3ncncc3C2)ccc2ccccc21 ZINC001231881821 777364557 /nfs/dbraw/zinc/36/45/57/777364557.db2.gz ITKRLEFVWAKMLC-UHFFFAOYSA-N 0 1 291.354 2.894 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1CO ZINC001231909411 777378064 /nfs/dbraw/zinc/37/80/64/777378064.db2.gz MSYPFZKRMBWFJK-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN O=C1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)O1 ZINC001231912850 777380680 /nfs/dbraw/zinc/38/06/80/777380680.db2.gz BKJCCMHIPCMAFK-HNNXBMFYSA-N 0 1 295.766 2.717 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC(Oc2cccnc2)C1 ZINC001231911365 777381167 /nfs/dbraw/zinc/38/11/67/777381167.db2.gz BDZBRGKOCYWRLY-UHFFFAOYSA-N 0 1 290.750 2.704 20 10 CFCDMN CCC[N@@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC001231909709 777381249 /nfs/dbraw/zinc/38/12/49/777381249.db2.gz NWFSPOPDWBNYHC-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@H]12 ZINC001231912615 777381448 /nfs/dbraw/zinc/38/14/48/777381448.db2.gz RJCJKDCEFWNORG-IRUJWGPZSA-N 0 1 267.756 2.512 20 10 CFCDMN C[C@H]1CC(=O)CCN1Cc1cccc(Cl)c1O ZINC001231910894 777381662 /nfs/dbraw/zinc/38/16/62/777381662.db2.gz VKVJJENIKSSNPL-VIFPVBQESA-N 0 1 253.729 2.599 20 10 CFCDMN C[N@@H+](Cc1ccno1)Cc1cccc(Cl)c1[O-] ZINC001231914224 777382883 /nfs/dbraw/zinc/38/28/83/777382883.db2.gz IXEHQBWHIBEYGD-UHFFFAOYSA-N 0 1 252.701 2.666 20 10 CFCDMN COc1cc(O)c(CN2CC3(C2)CCCOC3)cc1Cl ZINC001232263817 777497858 /nfs/dbraw/zinc/49/78/58/777497858.db2.gz ANYGTHVQUAFBAK-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN [O-]c1cc(O)c(C[NH+]2CCC3(CCO3)CC2)cc1Cl ZINC001232262588 777498117 /nfs/dbraw/zinc/49/81/17/777498117.db2.gz KWAHQKBDGIDPNG-UHFFFAOYSA-N 0 1 283.755 2.506 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)cc1Cl ZINC001232270874 777500957 /nfs/dbraw/zinc/50/09/57/777500957.db2.gz LNFXXNJLWAXGFP-NSHDSACASA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)cc1Cl ZINC001232270874 777500961 /nfs/dbraw/zinc/50/09/61/777500961.db2.gz LNFXXNJLWAXGFP-NSHDSACASA-N 0 1 285.771 2.665 20 10 CFCDMN C[N@@H+](Cc1ccc(CCO)cc1)Cc1ccccc1O ZINC001232779064 777663758 /nfs/dbraw/zinc/66/37/58/777663758.db2.gz DTSPEOCUYGKSPM-UHFFFAOYSA-N 0 1 271.360 2.559 20 10 CFCDMN CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC001233017012 777765986 /nfs/dbraw/zinc/76/59/86/777765986.db2.gz BZYGMRJRPILXNV-AWEZNQCLSA-N 0 1 285.343 2.923 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc(F)c1F ZINC001233076037 777789302 /nfs/dbraw/zinc/78/93/02/777789302.db2.gz KEAYKKMNIOBXNU-ZWNOBZJWSA-N 0 1 283.318 2.671 20 10 CFCDMN CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078191 777790327 /nfs/dbraw/zinc/79/03/27/777790327.db2.gz LCCQSNQHEWCBPL-LBPRGKRZSA-N 0 1 271.307 2.527 20 10 CFCDMN CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078191 777790336 /nfs/dbraw/zinc/79/03/36/777790336.db2.gz LCCQSNQHEWCBPL-LBPRGKRZSA-N 0 1 271.307 2.527 20 10 CFCDMN C[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCO1 ZINC001233284214 777865600 /nfs/dbraw/zinc/86/56/00/777865600.db2.gz MJHKKXZQWYYXRS-GFCCVEGCSA-N 0 1 263.381 2.910 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001233332541 777890152 /nfs/dbraw/zinc/89/01/52/777890152.db2.gz OOBGSEDNSWMOJG-OAHLLOKOSA-N 0 1 283.318 2.815 20 10 CFCDMN CCO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334884 777893344 /nfs/dbraw/zinc/89/33/44/777893344.db2.gz YIESXILKMKJLMB-JTQLQIEISA-N 0 1 271.307 2.671 20 10 CFCDMN CCCCC[NH+]1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334314 777894397 /nfs/dbraw/zinc/89/43/97/777894397.db2.gz BLTYCBOLDORRLS-UHFFFAOYSA-N 0 1 298.377 2.978 20 10 CFCDMN CN1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418785 777943017 /nfs/dbraw/zinc/94/30/17/777943017.db2.gz WMYVCDLANXUSOG-LLVKDONJSA-N 0 1 288.313 2.547 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](O)CC2)cccc1C(F)(F)F ZINC001233415805 777943298 /nfs/dbraw/zinc/94/32/98/777943298.db2.gz IVFHXMYXCKNJAL-LLVKDONJSA-N 0 1 289.297 2.758 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418636 777943991 /nfs/dbraw/zinc/94/39/91/777943991.db2.gz PEXWNAYCEDBVRV-KOLCDFICSA-N 0 1 289.297 2.756 20 10 CFCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CCOC2 ZINC001233451354 777957871 /nfs/dbraw/zinc/95/78/71/777957871.db2.gz HPXUKBCUMKOYRG-UHFFFAOYSA-N 0 1 287.281 2.633 20 10 CFCDMN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454655 777959210 /nfs/dbraw/zinc/95/92/10/777959210.db2.gz DTWFKTOXXRGGBN-CABZTGNLSA-N 0 1 289.297 2.756 20 10 CFCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454655 777959216 /nfs/dbraw/zinc/95/92/16/777959216.db2.gz DTWFKTOXXRGGBN-CABZTGNLSA-N 0 1 289.297 2.756 20 10 CFCDMN COC[C@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455734 777959570 /nfs/dbraw/zinc/95/95/70/777959570.db2.gz WNYWLCURLGJQEE-LLVKDONJSA-N 0 1 275.270 2.632 20 10 CFCDMN COC[C@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455734 777959575 /nfs/dbraw/zinc/95/95/75/777959575.db2.gz WNYWLCURLGJQEE-LLVKDONJSA-N 0 1 275.270 2.632 20 10 CFCDMN COC[C@@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455735 777960421 /nfs/dbraw/zinc/96/04/21/777960421.db2.gz WNYWLCURLGJQEE-NSHDSACASA-N 0 1 275.270 2.632 20 10 CFCDMN COC[C@@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455735 777960428 /nfs/dbraw/zinc/96/04/28/777960428.db2.gz WNYWLCURLGJQEE-NSHDSACASA-N 0 1 275.270 2.632 20 10 CFCDMN Oc1cc(O)c(CN2CCC[C@@H]2c2ccccn2)cc1O ZINC001233484942 777963767 /nfs/dbraw/zinc/96/37/67/777963767.db2.gz CTDIHCMLPNSLGU-CYBMUJFWSA-N 0 1 286.331 2.536 20 10 CFCDMN Oc1cc(O)c(CN2CCC(C(F)(F)F)CC2)cc1O ZINC001233483428 777964091 /nfs/dbraw/zinc/96/40/91/777964091.db2.gz YXMNYOQLXAONBQ-UHFFFAOYSA-N 0 1 291.269 2.578 20 10 CFCDMN COc1ccc2ccc(O)c(CN3CC(C)(OC)C3)c2c1 ZINC001234519425 778242204 /nfs/dbraw/zinc/24/22/04/778242204.db2.gz YPQHJJMBGRTOMP-UHFFFAOYSA-N 0 1 287.359 2.775 20 10 CFCDMN CCNC(=O)CN(C)Cc1cccc(-c2ccccc2)c1O ZINC001234992787 778347391 /nfs/dbraw/zinc/34/73/91/778347391.db2.gz RNQLZIHQWLWABZ-UHFFFAOYSA-N 0 1 298.386 2.627 20 10 CFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001142508893 778395127 /nfs/dbraw/zinc/39/51/27/778395127.db2.gz PAOKVGKMSIZDQD-ZUZCIYMTSA-N 0 1 283.318 2.671 20 10 CFCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520109 778399240 /nfs/dbraw/zinc/39/92/40/778399240.db2.gz BKLYCKMBEUCRCZ-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN [O-]c1cc(F)c(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001142525083 778400727 /nfs/dbraw/zinc/40/07/27/778400727.db2.gz WMKBMWHVCBEDOV-CYBMUJFWSA-N 0 1 296.361 2.731 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534406 778403759 /nfs/dbraw/zinc/40/37/59/778403759.db2.gz IKKLVMCKLXZHOO-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CCC[NH2+]2 ZINC001235204035 778414432 /nfs/dbraw/zinc/41/44/32/778414432.db2.gz CDIBIHDLBPAQHT-UHFFFAOYSA-N 0 1 287.190 2.637 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235347164 778463455 /nfs/dbraw/zinc/46/34/55/778463455.db2.gz NHUZJRZEGQYTJY-SECBINFHSA-N 0 1 289.206 2.883 20 10 CFCDMN CC(C)(C)c1ccc(CN2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001235674913 778533063 /nfs/dbraw/zinc/53/30/63/778533063.db2.gz ISWWVZOLPZPKAZ-KGLIPLIRSA-N 0 1 281.371 2.594 20 10 CFCDMN CC1(C)CN(Cc2cccc(C(F)(F)F)c2[O-])CC[NH2+]1 ZINC001235837753 778573842 /nfs/dbraw/zinc/57/38/42/778573842.db2.gz KQBOEFPIXXYAJA-UHFFFAOYSA-N 0 1 288.313 2.595 20 10 CFCDMN CC(C)(C)c1ccc(O)c(CN2CC[C@H](N)C(F)(F)C2)c1 ZINC001235914814 778607766 /nfs/dbraw/zinc/60/77/66/778607766.db2.gz MDLYEQCWPFYRSF-AWEZNQCLSA-N 0 1 298.377 2.858 20 10 CFCDMN CC(C)(C)c1ccc(CN2CC[C@H](N)C(F)(F)C2)c(O)c1 ZINC001235915425 778607884 /nfs/dbraw/zinc/60/78/84/778607884.db2.gz PXWNZNPXUDOYTB-AWEZNQCLSA-N 0 1 298.377 2.858 20 10 CFCDMN C[C@@H]1C[C@H]([NH3+])CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001236052678 778669968 /nfs/dbraw/zinc/66/99/68/778669968.db2.gz ULWVFPKAOBOWNO-BDAKNGLRSA-N 0 1 289.206 2.868 20 10 CFCDMN CCN(CC[NH2+]C)Cc1c([O-])ccc(Cl)c1Cl ZINC001236145941 778717062 /nfs/dbraw/zinc/71/70/62/778717062.db2.gz QNZRPYCSVYZBEL-UHFFFAOYSA-N 0 1 277.195 2.740 20 10 CFCDMN CCC[C@H]1CN(Cc2c([O-])cc(OC)cc2Cl)CC[NH2+]1 ZINC001236179357 778727791 /nfs/dbraw/zinc/72/77/91/778727791.db2.gz RIEQOFZURABNQZ-NSHDSACASA-N 0 1 298.814 2.628 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(CO)c1 ZINC000226648014 778844417 /nfs/dbraw/zinc/84/44/17/778844417.db2.gz YZCATGDWQWQNNK-UHFFFAOYSA-N 0 1 277.751 2.828 20 10 CFCDMN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H](C)[NH2+]1 ZINC001236578851 778882925 /nfs/dbraw/zinc/88/29/25/778882925.db2.gz IRXAVCANBIFAAA-NXEZZACHSA-N 0 1 288.313 2.593 20 10 CFCDMN CCOc1ncc(CN(C)Cc2ccccc2O)cc1F ZINC001236701662 778914697 /nfs/dbraw/zinc/91/46/97/778914697.db2.gz PKXKNCWMNRPGOV-UHFFFAOYSA-N 0 1 290.338 2.957 20 10 CFCDMN COc1cc(O)c(CN2CC3(C2)CC(F)(F)C3)cc1OC ZINC001236750039 778929477 /nfs/dbraw/zinc/92/94/77/778929477.db2.gz IVTHTALNTGPLSD-UHFFFAOYSA-N 0 1 299.317 2.641 20 10 CFCDMN CCc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001236790283 778937014 /nfs/dbraw/zinc/93/70/14/778937014.db2.gz UYPFEOBVVKGFDS-UHFFFAOYSA-N 0 1 275.392 2.957 20 10 CFCDMN CCc1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001236793496 778938590 /nfs/dbraw/zinc/93/85/90/778938590.db2.gz XBZXCPCDHYKANG-UHFFFAOYSA-N 0 1 298.386 2.656 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(Cl)c1 ZINC001236797037 778941249 /nfs/dbraw/zinc/94/12/49/778941249.db2.gz AXESACPDRRTFOI-QWRGUYRKSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c(Cl)c1 ZINC001236797037 778941251 /nfs/dbraw/zinc/94/12/51/778941251.db2.gz AXESACPDRRTFOI-QWRGUYRKSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(Cl)c1 ZINC001236800255 778942671 /nfs/dbraw/zinc/94/26/71/778942671.db2.gz UYVFNIODUZTNJT-MWODSPESSA-N 0 1 285.746 2.987 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(Cl)c1 ZINC001236800255 778942674 /nfs/dbraw/zinc/94/26/74/778942674.db2.gz UYVFNIODUZTNJT-MWODSPESSA-N 0 1 285.746 2.987 20 10 CFCDMN COC[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236800147 778942964 /nfs/dbraw/zinc/94/29/64/778942964.db2.gz WWNNHWDHVKAAQV-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236800147 778942969 /nfs/dbraw/zinc/94/29/69/778942969.db2.gz WWNNHWDHVKAAQV-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](OC)C2)c(Cl)c1 ZINC001236799620 778943770 /nfs/dbraw/zinc/94/37/70/778943770.db2.gz SYYGAOMASVXZPY-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](OC)C2)c(Cl)c1 ZINC001236799620 778943774 /nfs/dbraw/zinc/94/37/74/778943774.db2.gz SYYGAOMASVXZPY-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc(C)c(CN2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001236807330 778946541 /nfs/dbraw/zinc/94/65/41/778946541.db2.gz 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/nfs/dbraw/zinc/00/65/92/779006592.db2.gz XOBJHVFRQFXOEE-MRVPVSSYSA-N 0 1 276.163 2.920 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078358 779007017 /nfs/dbraw/zinc/00/70/17/779007017.db2.gz QAMABOSWIZPMKX-GZMMTYOYSA-N 0 1 290.190 2.902 20 10 CFCDMN CC[NH+](CC)CCN(C)Cc1c([O-])ccc(F)c1Cl ZINC001237119113 779016370 /nfs/dbraw/zinc/01/63/70/779016370.db2.gz AWSOMWBYRBKLSJ-UHFFFAOYSA-N 0 1 288.794 2.958 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(COC2)CC1 ZINC001237119862 779017828 /nfs/dbraw/zinc/01/78/28/779017828.db2.gz GYELPMBWDGJEAZ-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCc3ccncc3C2)ccc(F)c1F ZINC001233077334 779017914 /nfs/dbraw/zinc/01/79/14/779017914.db2.gz JPDVLTVSNIWQFJ-UHFFFAOYSA-N 0 1 276.286 2.624 20 10 CFCDMN [O-]c1c(C[N@H+]2CCc3ccncc3C2)ccc(F)c1F ZINC001233077334 779017918 /nfs/dbraw/zinc/01/79/18/779017918.db2.gz JPDVLTVSNIWQFJ-UHFFFAOYSA-N 0 1 276.286 2.624 20 10 CFCDMN C[N@@H+](Cc1c(O)ccc(F)c1Cl)[C@@H]1CCCOC1 ZINC001237125289 779018542 /nfs/dbraw/zinc/01/85/42/779018542.db2.gz CEUJYJUCSIKMLX-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCCOC1 ZINC001237125289 779018547 /nfs/dbraw/zinc/01/85/47/779018547.db2.gz CEUJYJUCSIKMLX-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCCOC1 ZINC001237125289 779018555 /nfs/dbraw/zinc/01/85/55/779018555.db2.gz CEUJYJUCSIKMLX-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCC[C@@H]1CO ZINC001237122279 779019205 /nfs/dbraw/zinc/01/92/05/779019205.db2.gz SSGGUMHPHKIBOK-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCC[C@@H]1CO ZINC001237122279 779019209 /nfs/dbraw/zinc/01/92/09/779019209.db2.gz SSGGUMHPHKIBOK-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN O=C1CCC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]12 ZINC001237128625 779021369 /nfs/dbraw/zinc/02/13/69/779021369.db2.gz SPWOFBLSVJCXCC-ZJUUUORDSA-N 0 1 297.757 2.986 20 10 CFCDMN O=C1CCC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]12 ZINC001237128625 779021376 /nfs/dbraw/zinc/02/13/76/779021376.db2.gz SPWOFBLSVJCXCC-ZJUUUORDSA-N 0 1 297.757 2.986 20 10 CFCDMN O=C1CCC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128624 779022034 /nfs/dbraw/zinc/02/20/34/779022034.db2.gz SPWOFBLSVJCXCC-VHSXEESVSA-N 0 1 297.757 2.986 20 10 CFCDMN O=C1CCC[C@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128624 779022042 /nfs/dbraw/zinc/02/20/42/779022042.db2.gz SPWOFBLSVJCXCC-VHSXEESVSA-N 0 1 297.757 2.986 20 10 CFCDMN Cc1ncc2n1CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC001237617244 779144591 /nfs/dbraw/zinc/14/45/91/779144591.db2.gz OHFDMDIGGQUVMV-UHFFFAOYSA-N 0 1 295.745 2.705 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237620253 779145748 /nfs/dbraw/zinc/14/57/48/779145748.db2.gz LXTZPTQCZKOWAX-ZDUSSCGKSA-N 0 1 298.789 2.855 20 10 CFCDMN O=C1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237624638 779147045 /nfs/dbraw/zinc/14/70/45/779147045.db2.gz XDIZCUKCXHZURR-CABZTGNLSA-N 0 1 297.757 2.986 20 10 CFCDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622600 779147234 /nfs/dbraw/zinc/14/72/34/779147234.db2.gz VGASCDIKHLAZTF-GZMMTYOYSA-N 0 1 273.735 2.530 20 10 CFCDMN Cc1cc(O)c(CN2CC(C)C2)cc1Br ZINC001237675870 779158896 /nfs/dbraw/zinc/15/88/96/779158896.db2.gz COZRYJXWAGOXPG-UHFFFAOYSA-N 0 1 270.170 2.915 20 10 CFCDMN CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237690695 779162932 /nfs/dbraw/zinc/16/29/32/779162932.db2.gz ZQVNQHKIRBHRMO-CYBMUJFWSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@H](C)C1 ZINC001237801254 779181306 /nfs/dbraw/zinc/18/13/06/779181306.db2.gz GBRXRYYELVSYIO-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[N@@H+](CCn1ccnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237802761 779182788 /nfs/dbraw/zinc/18/27/88/779182788.db2.gz OUUMMBOEDDEUQG-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN C[NH+](C)[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237936825 779211395 /nfs/dbraw/zinc/21/13/95/779211395.db2.gz MSYIVESJZVVOOC-LLVKDONJSA-N 0 1 286.778 2.711 20 10 CFCDMN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])[C@H]1CCCOC1 ZINC001237945428 779212687 /nfs/dbraw/zinc/21/26/87/779212687.db2.gz ZTTVSGXLVGKGRA-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000699248772 779228228 /nfs/dbraw/zinc/22/82/28/779228228.db2.gz XGGXOHOUGQCCDH-QWRGUYRKSA-N 0 1 263.312 2.576 20 10 CFCDMN Cc1cc(F)cc(CN2CCC[C@H]2c2cnccn2)c1O ZINC001238063466 779242036 /nfs/dbraw/zinc/24/20/36/779242036.db2.gz WRQXFJCQFTUSFA-HNNXBMFYSA-N 0 1 287.338 2.967 20 10 CFCDMN CC(C)c1ccc(CN2CCOCC23CC3)c(O)c1 ZINC001237055376 779661064 /nfs/dbraw/zinc/66/10/64/779661064.db2.gz NMFRFMNBWZPWNZ-UHFFFAOYSA-N 0 1 261.365 2.880 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237622323 779700778 /nfs/dbraw/zinc/70/07/78/779700778.db2.gz QODWOAPRGUACPA-RTCCRHLQSA-N 0 1 273.710 2.832 20 10 CFCDMN C[C@H](F)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000702647498 780942104 /nfs/dbraw/zinc/94/21/04/780942104.db2.gz VRZQGCKYVUMHRW-QMMMGPOBSA-N 0 1 276.149 2.992 20 10 CFCDMN Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703347737 781008682 /nfs/dbraw/zinc/00/86/82/781008682.db2.gz KSLBRGBKDISAGU-ZCFIWIBFSA-N 0 1 285.319 2.681 20 10 CFCDMN C[C@@H](F)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706824824 781203889 /nfs/dbraw/zinc/20/38/89/781203889.db2.gz HWPKULINWJHCOU-MRVPVSSYSA-N 0 1 276.149 2.992 20 10 CFCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000708411899 781273018 /nfs/dbraw/zinc/27/30/18/781273018.db2.gz DELFMMAYFWTWNX-BXKDBHETSA-N 0 1 271.307 2.670 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000708414363 781273457 /nfs/dbraw/zinc/27/34/57/781273457.db2.gz RIOFNFPNZGTFPV-SKDRFNHKSA-N 0 1 271.307 2.670 20 10 CFCDMN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414216 781273864 /nfs/dbraw/zinc/27/38/64/781273864.db2.gz PKUOOBTWVOFSDV-BXKDBHETSA-N 0 1 271.307 2.670 20 10 CFCDMN C[C@@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC000708503869 781291027 /nfs/dbraw/zinc/29/10/27/781291027.db2.gz QLPOHOZYNREVQE-RXMQYKEDSA-N 0 1 255.186 2.711 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CF)C2)ccc(F)c1F ZINC000711497196 781446522 /nfs/dbraw/zinc/44/65/22/781446522.db2.gz KGRJTCVUOSDIFO-VIFPVBQESA-N 0 1 259.271 2.852 20 10 CFCDMN COc1cccc(CN2CCOC[C@@H]2CC(C)C)c1O ZINC000093340232 375218904 /nfs/dbraw/zinc/21/89/04/375218904.db2.gz QVJVYBRWKPDNRS-AWEZNQCLSA-N 0 1 279.380 2.648 20 10 CFCDMN Cc1ccc(O)c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000093841736 375321665 /nfs/dbraw/zinc/32/16/65/375321665.db2.gz CXZUVFINUUVYBK-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN CCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000127392226 377279007 /nfs/dbraw/zinc/27/90/07/377279007.db2.gz KTHGCWSLMDJFED-UHFFFAOYSA-N 0 1 285.771 2.717 20 10 CFCDMN CCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000127392226 377279010 /nfs/dbraw/zinc/27/90/10/377279010.db2.gz KTHGCWSLMDJFED-UHFFFAOYSA-N 0 1 285.771 2.717 20 10 CFCDMN COc1cccc(CN2Cc3ccccc3C2)c1O ZINC000133783123 377956942 /nfs/dbraw/zinc/95/69/42/377956942.db2.gz UJUNIVFEDDICLH-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(Br)ccc1[O-] ZINC000134922856 378063279 /nfs/dbraw/zinc/06/32/79/378063279.db2.gz BAWOBVUHYDXSAI-DTWKUNHWSA-N 0 1 288.185 2.576 20 10 CFCDMN Oc1ccccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000179566303 380558862 /nfs/dbraw/zinc/55/88/62/380558862.db2.gz OKFKVXJISDCFAX-CYBMUJFWSA-N 0 1 257.337 2.843 20 10 CFCDMN Cc1cc(CN(C)Cc2cccc(Cl)c2O)no1 ZINC000179735041 380575863 /nfs/dbraw/zinc/57/58/63/380575863.db2.gz GWHWDRFJQLVLRO-UHFFFAOYSA-N 0 1 266.728 2.974 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000180624703 380682308 /nfs/dbraw/zinc/68/23/08/380682308.db2.gz RCBLIQXRAAJOPA-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424090 380656736 /nfs/dbraw/zinc/65/67/36/380656736.db2.gz MNPFFCSHPLYERI-DGCLKSJQSA-N 0 1 282.815 2.960 20 10 CFCDMN CCN(Cc1c(C)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000289013550 381023767 /nfs/dbraw/zinc/02/37/67/381023767.db2.gz FVJHYWPRMSTHGZ-UHFFFAOYSA-N 0 1 286.423 2.817 20 10 CFCDMN Oc1cccc2c1[C@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000296086540 381249339 /nfs/dbraw/zinc/24/93/39/381249339.db2.gz SVUDZGGBWKRDTP-OAHLLOKOSA-N 0 1 274.408 2.845 20 10 CFCDMN CCOc1ccc(O)c(CN(C)Cc2ccncc2)c1 ZINC000183744452 381312882 /nfs/dbraw/zinc/31/28/82/381312882.db2.gz OVMLFSKQISPXBZ-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN C[C@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000184996157 381507120 /nfs/dbraw/zinc/50/71/20/381507120.db2.gz UABKFTWDQDGANX-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NC(C)(C)C ZINC000185217842 381566377 /nfs/dbraw/zinc/56/63/77/381566377.db2.gz GJQYZEZTJJDIGY-VHSXEESVSA-N 0 1 298.814 2.999 20 10 CFCDMN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185389285 381620898 /nfs/dbraw/zinc/62/08/98/381620898.db2.gz AFWOJCRCGBIPEV-RNCFNFMXSA-N 0 1 257.761 2.857 20 10 CFCDMN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185436491 381631698 /nfs/dbraw/zinc/63/16/98/381631698.db2.gz PVVGESHMCSMWSP-GXSJLCMTSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185444869 381633764 /nfs/dbraw/zinc/63/37/64/381633764.db2.gz YQJLABSINJMPIH-LQJRIPTKSA-N 0 1 269.772 3.000 20 10 CFCDMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000185579575 381670798 /nfs/dbraw/zinc/67/07/98/381670798.db2.gz IXKCBEDRPXLRKJ-AWEZNQCLSA-N 0 1 291.391 2.946 20 10 CFCDMN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000185702070 381709623 /nfs/dbraw/zinc/70/96/23/381709623.db2.gz DHBVQHKOTODSAR-AAEUAGOBSA-N 0 1 299.798 2.892 20 10 CFCDMN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185606295 381678791 /nfs/dbraw/zinc/67/87/91/381678791.db2.gz AJKXGDYVPVZJPO-NEPJUHHUSA-N 0 1 269.360 2.981 20 10 CFCDMN C[C@@H](N[C@H](CCO)c1ccco1)c1cc(F)ccc1O ZINC000186534899 381939818 /nfs/dbraw/zinc/93/98/18/381939818.db2.gz QXIRLINVESHVGI-ZWNOBZJWSA-N 0 1 279.311 2.899 20 10 CFCDMN CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000374690724 382052753 /nfs/dbraw/zinc/05/27/53/382052753.db2.gz BNHZOIQFOYPTCH-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000374690724 382052757 /nfs/dbraw/zinc/05/27/57/382052757.db2.gz BNHZOIQFOYPTCH-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN Oc1ccccc1CN1CCOC[C@@H]1c1ccccc1 ZINC000374898740 382058831 /nfs/dbraw/zinc/05/88/31/382058831.db2.gz RJMYWQCSAUQAHZ-MRXNPFEDSA-N 0 1 269.344 2.966 20 10 CFCDMN Oc1ccccc1CN1CCOC[C@H]1c1ccccc1 ZINC000374898733 382059427 /nfs/dbraw/zinc/05/94/27/382059427.db2.gz RJMYWQCSAUQAHZ-INIZCTEOSA-N 0 1 269.344 2.966 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000375007959 382063374 /nfs/dbraw/zinc/06/33/74/382063374.db2.gz IGIJATYYKOGNKP-LJQANCHMSA-N 0 1 297.398 2.918 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000375007959 382063376 /nfs/dbraw/zinc/06/33/76/382063376.db2.gz IGIJATYYKOGNKP-LJQANCHMSA-N 0 1 297.398 2.918 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC2(CCCC2)C1 ZINC000376822945 382178786 /nfs/dbraw/zinc/17/87/86/382178786.db2.gz MLBIWTSLSJLXFN-UHFFFAOYSA-N 0 1 265.328 2.676 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000187798987 382270584 /nfs/dbraw/zinc/27/05/84/382270584.db2.gz ZAADEQUCFNUQDC-PSASIEDQSA-N 0 1 295.333 2.984 20 10 CFCDMN Cc1cc(CN2CCOC[C@@H]2C2CC2)ccc1N(C)C ZINC000293864203 382313201 /nfs/dbraw/zinc/31/32/01/382313201.db2.gz SDJWYSXMTXZKMO-QGZVFWFLSA-N 0 1 274.408 2.672 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378127076 382403227 /nfs/dbraw/zinc/40/32/27/382403227.db2.gz FYKVTCXUFRWJKM-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000378371897 382449312 /nfs/dbraw/zinc/44/93/12/382449312.db2.gz AIBBFVNHBRACCI-YUELXQCFSA-N 0 1 261.365 2.638 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000378439184 382461490 /nfs/dbraw/zinc/46/14/90/382461490.db2.gz MSWFRWPWJMIHKM-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)ccc1N(C)C ZINC000294649899 382519467 /nfs/dbraw/zinc/51/94/67/382519467.db2.gz QNXRVELROMRTTH-MRXNPFEDSA-N 0 1 276.424 2.654 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367048724 382556111 /nfs/dbraw/zinc/55/61/11/382556111.db2.gz XZRBCPKSQJNJQO-AWEZNQCLSA-N 0 1 267.756 2.801 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000367048725 382556802 /nfs/dbraw/zinc/55/68/02/382556802.db2.gz XZRBCPKSQJNJQO-CQSZACIVSA-N 0 1 267.756 2.801 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC000367687507 382583068 /nfs/dbraw/zinc/58/30/68/382583068.db2.gz NNZVIZLEWPXBBT-RLTXXFFMSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC000367687507 382583071 /nfs/dbraw/zinc/58/30/71/382583071.db2.gz NNZVIZLEWPXBBT-RLTXXFFMSA-N 0 1 293.794 2.901 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000189876510 382643627 /nfs/dbraw/zinc/64/36/27/382643627.db2.gz ZAHLPFZUYJFHCR-SNVBAGLBSA-N 0 1 297.704 2.791 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)O[C@@H](CC)C2)c1O ZINC000245553820 383006997 /nfs/dbraw/zinc/00/69/97/383006997.db2.gz GCWJQSASGNQIPW-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@H](CC)C2)c1 ZINC000245565697 383009276 /nfs/dbraw/zinc/00/92/76/383009276.db2.gz SAMXCEHKXZDTEY-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN c1[nH]nc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000268835407 384673725 /nfs/dbraw/zinc/67/37/25/384673725.db2.gz LOVJKGSWEJREGA-CQSZACIVSA-N 0 1 269.348 2.512 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000271108991 385338324 /nfs/dbraw/zinc/33/83/24/385338324.db2.gz COXDONZSHLGNBM-GDBMZVCRSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492134 385551566 /nfs/dbraw/zinc/55/15/66/385551566.db2.gz DXRVIPGVYURWLV-BDAKNGLRSA-N 0 1 290.190 2.902 20 10 CFCDMN Cc1cc(O)c(CN[C@H](c2nncn2C)C(C)C)cc1C ZINC000285343613 385553934 /nfs/dbraw/zinc/55/39/34/385553934.db2.gz AFXXZMFOJNMNKS-HNNXBMFYSA-N 0 1 288.395 2.624 20 10 CFCDMN C[C@H]1COCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000285365398 385555226 /nfs/dbraw/zinc/55/52/26/385555226.db2.gz BTLRJAPGHKBEMW-QWRGUYRKSA-N 0 1 269.772 2.808 20 10 CFCDMN CCC[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCOC1 ZINC000285763652 385557259 /nfs/dbraw/zinc/55/72/59/385557259.db2.gz ZPYXDEFNDUQWCK-MRXNPFEDSA-N 0 1 295.354 2.783 20 10 CFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273348067 385677181 /nfs/dbraw/zinc/67/71/81/385677181.db2.gz BEMQWBDEILESRK-AUSHCKSDSA-N 0 1 289.828 2.853 20 10 CFCDMN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273409030 385680853 /nfs/dbraw/zinc/68/08/53/385680853.db2.gz PENCIRUSAJRYBS-GHMZBOCLSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@@H](NCc1nccn1C)c1cc2c(cc1O)CCCC2 ZINC000273607906 385691777 /nfs/dbraw/zinc/69/17/77/385691777.db2.gz UTAZRASCNDPUMB-GFCCVEGCSA-N 0 1 285.391 2.855 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC1(O)CCCC1 ZINC000180314798 393478664 /nfs/dbraw/zinc/47/86/64/393478664.db2.gz TZNPUONXAUYNOZ-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN CC(C)(O)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000189945380 393575672 /nfs/dbraw/zinc/57/56/72/393575672.db2.gz QBHFZPLDRMVQBC-UHFFFAOYSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccccc1O ZINC000109770312 393879335 /nfs/dbraw/zinc/87/93/35/393879335.db2.gz JWVNDAHBBGERQC-DZGCQCFKSA-N 0 1 290.407 2.519 20 10 CFCDMN CCCCOC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000121150242 393949303 /nfs/dbraw/zinc/94/93/03/393949303.db2.gz ZGDRZTQJWNBBHH-UHFFFAOYSA-N 0 1 265.353 2.557 20 10 CFCDMN CCCCN(Cc1cc[nH]n1)Cc1ccccc1O ZINC000283150385 394130213 /nfs/dbraw/zinc/13/02/13/394130213.db2.gz XODSWZSXFWSWAM-UHFFFAOYSA-N 0 1 259.353 2.918 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000133117986 394169765 /nfs/dbraw/zinc/16/97/65/394169765.db2.gz UGTBOTBUIDVXED-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000365232420 394230122 /nfs/dbraw/zinc/23/01/22/394230122.db2.gz COQBCHYKJRTSKL-LLVKDONJSA-N 0 1 298.789 2.855 20 10 CFCDMN CC[C@H]([NH2+]CCCO)c1cc(Br)ccc1[O-] ZINC000020188101 171052591 /nfs/dbraw/zinc/05/25/91/171052591.db2.gz ISEUPELXMYMJIO-NSHDSACASA-N 0 1 288.185 2.578 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000035601845 172291331 /nfs/dbraw/zinc/29/13/31/172291331.db2.gz RIDWLYATIWLBQZ-KCJUWKMLSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H]1CCOCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367701182 267111061 /nfs/dbraw/zinc/11/10/61/267111061.db2.gz FPNDYRFAIBUMCK-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN COc1cc(Cl)cc(CN2CCOCC[C@@H]2C)c1O ZINC000367708011 267112233 /nfs/dbraw/zinc/11/22/33/267112233.db2.gz QDWQKWZWXVWDPV-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN C[C@H]1CCOCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000368131918 267146783 /nfs/dbraw/zinc/14/67/83/267146783.db2.gz OPLAGTGODJBEJW-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]1CCOCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000368131918 267146784 /nfs/dbraw/zinc/14/67/84/267146784.db2.gz OPLAGTGODJBEJW-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN CCCOc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c(O)c1 ZINC000369677894 267259672 /nfs/dbraw/zinc/25/96/72/267259672.db2.gz ZPZZBTPTKCMEPI-KRWDZBQOSA-N 0 1 291.391 2.528 20 10 CFCDMN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185436526 276272655 /nfs/dbraw/zinc/27/26/55/276272655.db2.gz PVVGESHMCSMWSP-MWLCHTKSSA-N 0 1 257.761 2.857 20 10 CFCDMN CCn1nncc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000527911603 330290859 /nfs/dbraw/zinc/29/08/59/330290859.db2.gz BBVQSHLVFGKVNZ-VIFPVBQESA-N 0 1 280.759 2.508 20 10 CFCDMN C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(Cl)cc1[O-] ZINC000527984237 330298651 /nfs/dbraw/zinc/29/86/51/330298651.db2.gz XGHJHRBYOGJHKB-NAUIOFCNSA-N 0 1 267.756 2.875 20 10 CFCDMN CCC[N@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000361796536 519852332 /nfs/dbraw/zinc/85/23/32/519852332.db2.gz GTSJPKDRDNLBCQ-UHFFFAOYSA-N 0 1 282.815 2.963 20 10 CFCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1O ZINC000275969359 520471732 /nfs/dbraw/zinc/47/17/32/520471732.db2.gz LLFLECMMEHAZTQ-ZDUSSCGKSA-N 0 1 269.772 2.638 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1O ZINC000275969359 520471737 /nfs/dbraw/zinc/47/17/37/520471737.db2.gz LLFLECMMEHAZTQ-ZDUSSCGKSA-N 0 1 269.772 2.638 20 10 CFCDMN CCC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278153902 521303175 /nfs/dbraw/zinc/30/31/75/521303175.db2.gz CSTSDSMLDJPHAR-UHFFFAOYSA-N 0 1 282.340 2.929 20 10 CFCDMN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000036795063 521745615 /nfs/dbraw/zinc/74/56/15/521745615.db2.gz FCCMOXXCXDIUCN-RYUDHWBXSA-N 0 1 286.375 2.721 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000278928125 521870889 /nfs/dbraw/zinc/87/08/89/521870889.db2.gz VVGLHZOTNWAJDE-JTQLQIEISA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278236324 521873759 /nfs/dbraw/zinc/87/37/59/521873759.db2.gz NKCVXSGCJUHCOV-UWVGGRQHSA-N 0 1 280.324 2.539 20 10 CFCDMN CN(C)c1ccc(CN2CC[C@H](n3cccn3)C2)cc1F ZINC000291282492 522186234 /nfs/dbraw/zinc/18/62/34/522186234.db2.gz OTTNIOBJXQSEEX-AWEZNQCLSA-N 0 1 288.370 2.535 20 10 CFCDMN COC[C@]1(C)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294212633 522894814 /nfs/dbraw/zinc/89/48/14/522894814.db2.gz MQGGSYYYGQZABR-CQSZACIVSA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294212633 522894823 /nfs/dbraw/zinc/89/48/23/522894823.db2.gz MQGGSYYYGQZABR-CQSZACIVSA-N 0 1 269.772 2.904 20 10 CFCDMN COC(=O)[C@@H](C)N(Cc1cc(C)ccc1O)C1CCC1 ZINC000191644209 523527626 /nfs/dbraw/zinc/52/76/26/523527626.db2.gz VSJRKMNOBJSSGK-GFCCVEGCSA-N 0 1 277.364 2.617 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccc(Cl)c1[O-] ZINC000289534586 524023897 /nfs/dbraw/zinc/02/38/97/524023897.db2.gz HSSPUYNEPUIYBF-UQJZFXKTSA-N 0 1 293.794 2.901 20 10 CFCDMN COc1ccc(CNCc2ncccc2N(C)C)cc1C ZINC000289978773 524073739 /nfs/dbraw/zinc/07/37/39/524073739.db2.gz ZMYHGFVCQOGIBY-UHFFFAOYSA-N 0 1 285.391 2.754 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1F ZINC000292572523 524355425 /nfs/dbraw/zinc/35/54/25/524355425.db2.gz IYLFCBWHCZZIHZ-UHFFFAOYSA-N 0 1 292.358 2.886 20 10 CFCDMN Cc1n[nH]c(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000265208446 525467312 /nfs/dbraw/zinc/46/73/12/525467312.db2.gz KSDUTJWTMZOLBX-UHFFFAOYSA-N 0 1 298.390 2.557 20 10 CFCDMN COc1cccc(CN(Cc2ccccn2)C2CC2)c1O ZINC000290294971 525923044 /nfs/dbraw/zinc/92/30/44/525923044.db2.gz ARRJGYGODPDXCQ-UHFFFAOYSA-N 0 1 284.359 2.960 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228003996 526328832 /nfs/dbraw/zinc/32/88/32/526328832.db2.gz JTAKNAGFTQEZMZ-KGLIPLIRSA-N 0 1 265.328 2.675 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000361070226 526329510 /nfs/dbraw/zinc/32/95/10/526329510.db2.gz WEIDGMRTPOQXSL-ZDUSSCGKSA-N 0 1 275.327 2.565 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365839747 526344824 /nfs/dbraw/zinc/34/48/24/526344824.db2.gz VOQWQGGAUMHXOI-JTQLQIEISA-N 0 1 295.745 2.828 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOCC1CC1 ZINC000083551583 526362611 /nfs/dbraw/zinc/36/26/11/526362611.db2.gz APZUGIALFPIVLZ-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000086485865 526363907 /nfs/dbraw/zinc/36/39/07/526363907.db2.gz QOTGEZHMNAZZNW-MFKMUULPSA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1noc(C)c1CNCc1ccc2c(c1)CCO2 ZINC000067977867 526514514 /nfs/dbraw/zinc/51/45/14/526514514.db2.gz MTBUOECWUIYWCM-UHFFFAOYSA-N 0 1 258.321 2.516 20 10 CFCDMN COc1cc(C)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000754741574 574118225 /nfs/dbraw/zinc/11/82/25/574118225.db2.gz PVAVJTOXQQXJPA-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCOC1 ZINC000738074589 574156778 /nfs/dbraw/zinc/15/67/78/574156778.db2.gz COIOYTHYGRLAQM-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCOC1 ZINC000738074589 574156782 /nfs/dbraw/zinc/15/67/82/574156782.db2.gz COIOYTHYGRLAQM-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN COc1ccc(CNCc2cccc(F)n2)cc1C ZINC000747926494 574220488 /nfs/dbraw/zinc/22/04/88/574220488.db2.gz TUJQXAKUFNTBQG-UHFFFAOYSA-N 0 1 260.312 2.828 20 10 CFCDMN Oc1cccc(Cl)c1CNCc1cccc(F)n1 ZINC000747936712 574221117 /nfs/dbraw/zinc/22/11/17/574221117.db2.gz YYLJDGJHCNOGOE-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN CN(C)c1ccc(CNCc2cnn3ccccc23)cc1F ZINC000729680077 574227961 /nfs/dbraw/zinc/22/79/61/574227961.db2.gz WGVFBGOWKLCSNE-UHFFFAOYSA-N 0 1 298.365 2.829 20 10 CFCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756503818 574242151 /nfs/dbraw/zinc/24/21/51/574242151.db2.gz NBAAMPNOCSJVOF-UWVGGRQHSA-N 0 1 272.339 2.661 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756536886 574244183 /nfs/dbraw/zinc/24/41/83/574244183.db2.gz XBJABEDJMUOEJC-ZYHUDNBSSA-N 0 1 280.799 2.933 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc2ccccc2c1[O-] ZINC000756639342 574254832 /nfs/dbraw/zinc/25/48/32/574254832.db2.gz XDRWKGSDCQEDMC-BLLLJJGKSA-N 0 1 298.386 2.817 20 10 CFCDMN C[C@H]([NH2+]CCN1CCC1)c1ccc(Br)cc1[O-] ZINC000756768812 574261324 /nfs/dbraw/zinc/26/13/24/574261324.db2.gz NIOMBPVTFRVLEH-JTQLQIEISA-N 0 1 299.212 2.511 20 10 CFCDMN C[C@@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000756788979 574263372 /nfs/dbraw/zinc/26/33/72/574263372.db2.gz ZUVDYTMYGAARLH-SNVBAGLBSA-N 0 1 277.755 2.729 20 10 CFCDMN C[C@H](NCc1cocn1)c1cc(F)cc(F)c1O ZINC000756833275 574266212 /nfs/dbraw/zinc/26/62/12/574266212.db2.gz WRHDRZQAYDBFPE-ZETCQYMHSA-N 0 1 254.236 2.509 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000734850907 574304541 /nfs/dbraw/zinc/30/45/41/574304541.db2.gz QQKXUSUJYZQANK-KRWDZBQOSA-N 0 1 288.366 2.715 20 10 CFCDMN Cn1cccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000743499213 574367038 /nfs/dbraw/zinc/36/70/38/574367038.db2.gz VFAXAZZJRKKNCR-UHFFFAOYSA-N 0 1 295.180 2.783 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813672 574395537 /nfs/dbraw/zinc/39/55/37/574395537.db2.gz RRWGAFRTAMTMMO-JSGCOSHPSA-N 0 1 286.375 2.676 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813672 574395538 /nfs/dbraw/zinc/39/55/38/574395538.db2.gz RRWGAFRTAMTMMO-JSGCOSHPSA-N 0 1 286.375 2.676 20 10 CFCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000833249493 601007086 /nfs/dbraw/zinc/00/70/86/601007086.db2.gz RUCJFARCEODQEW-UHFFFAOYSA-N 0 1 283.755 2.732 20 10 CFCDMN CC[N@H+](CCC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1O ZINC000829701582 601414577 /nfs/dbraw/zinc/41/45/77/601414577.db2.gz HJROKNKUBXMDKU-UHFFFAOYSA-N 0 1 299.754 2.545 20 10 CFCDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1O ZINC000829701582 601414578 /nfs/dbraw/zinc/41/45/78/601414578.db2.gz HJROKNKUBXMDKU-UHFFFAOYSA-N 0 1 299.754 2.545 20 10 CFCDMN C[N@@H+](Cc1cc(F)ccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694100 605482891 /nfs/dbraw/zinc/48/28/91/605482891.db2.gz KDRCNDLWKPKGHF-OAHLLOKOSA-N 0 1 289.306 2.789 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1C ZINC000833746996 605930015 /nfs/dbraw/zinc/93/00/15/605930015.db2.gz NSOXBTBCFQGXLF-AWEZNQCLSA-N 0 1 277.364 2.838 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(Br)cc1[O-] ZINC000903317103 621329906 /nfs/dbraw/zinc/32/99/06/621329906.db2.gz JPXQFOAMFJCPJW-MWLCHTKSSA-N 0 1 299.212 2.509 20 10 CFCDMN COCCOc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000891713471 617723513 /nfs/dbraw/zinc/72/35/13/617723513.db2.gz FWPUGYCHPWOOKB-UHFFFAOYSA-N 0 1 291.347 2.642 20 10 CFCDMN CC[C@@H](NCc1ccn(CC)n1)c1ccccc1O ZINC000840840775 617724165 /nfs/dbraw/zinc/72/41/65/617724165.db2.gz OFZVIMNJABWMMY-CQSZACIVSA-N 0 1 259.353 2.850 20 10 CFCDMN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000806169040 617806446 /nfs/dbraw/zinc/80/64/46/617806446.db2.gz HMRRHVFRCJEKLK-GHMZBOCLSA-N 0 1 271.788 2.961 20 10 CFCDMN CCSCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866591 617983077 /nfs/dbraw/zinc/98/30/77/617983077.db2.gz UKRPSWWZHJKQIG-UHFFFAOYSA-N 0 1 298.427 2.709 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000894021166 618272590 /nfs/dbraw/zinc/27/25/90/618272590.db2.gz PPQCHWFDGQXVFG-CYBMUJFWSA-N 0 1 295.285 2.837 20 10 CFCDMN C[C@H]1SCC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894035224 618277700 /nfs/dbraw/zinc/27/77/00/618277700.db2.gz WRNNQNLJYRYPHF-RKDXNWHRSA-N 0 1 273.348 2.996 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(=O)OC ZINC000895128346 618348371 /nfs/dbraw/zinc/34/83/71/618348371.db2.gz XHKIVDJHBQOWJL-JTQLQIEISA-N 0 1 285.771 2.643 20 10 CFCDMN CC[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(=O)OC ZINC000895128347 618348795 /nfs/dbraw/zinc/34/87/95/618348795.db2.gz XHKIVDJHBQOWJL-SNVBAGLBSA-N 0 1 285.771 2.643 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000895152363 618396298 /nfs/dbraw/zinc/39/62/98/618396298.db2.gz SPZSRWAOSZVOAJ-ZDUSSCGKSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895152363 618396303 /nfs/dbraw/zinc/39/63/03/618396303.db2.gz SPZSRWAOSZVOAJ-ZDUSSCGKSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461033 618597088 /nfs/dbraw/zinc/59/70/88/618597088.db2.gz KPVAGVUVBGXZMK-GXSJLCMTSA-N 0 1 285.359 2.855 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ncc(Cl)n2C)c1 ZINC000182321193 625283726 /nfs/dbraw/zinc/28/37/26/625283726.db2.gz CNKMJQGYOGTXIK-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cn3ccccc3n2)c1 ZINC000182344270 625288393 /nfs/dbraw/zinc/28/83/93/625288393.db2.gz XEVPOUMFDQJRJX-GFCCVEGCSA-N 0 1 297.358 2.899 20 10 CFCDMN CCOc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000892792397 618747036 /nfs/dbraw/zinc/74/70/36/618747036.db2.gz DJODWJMLXSMZMI-UHFFFAOYSA-N 0 1 273.332 2.903 20 10 CFCDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000197359636 618963015 /nfs/dbraw/zinc/96/30/15/618963015.db2.gz KRYUKQGITRWYEQ-HNNXBMFYSA-N 0 1 278.396 2.684 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)c(Cl)c1 ZINC000840939390 619081015 /nfs/dbraw/zinc/08/10/15/619081015.db2.gz NJYVSLIHKDVPCS-SMDDNHRTSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)CCO)c(Cl)c1 ZINC000840948653 619117097 /nfs/dbraw/zinc/11/70/97/619117097.db2.gz HIPJEGRIUGQXOV-JTQLQIEISA-N 0 1 271.788 2.852 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000840976816 619205208 /nfs/dbraw/zinc/20/52/08/619205208.db2.gz XYXLMPGPIUQJAJ-OAHLLOKOSA-N 0 1 297.782 2.821 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000840976816 619205212 /nfs/dbraw/zinc/20/52/12/619205212.db2.gz XYXLMPGPIUQJAJ-OAHLLOKOSA-N 0 1 297.782 2.821 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980310 619209661 /nfs/dbraw/zinc/20/96/61/619209661.db2.gz WVYKLYBWOXOCCT-ZYHUDNBSSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000894434359 619384075 /nfs/dbraw/zinc/38/40/75/619384075.db2.gz RFYUZWWRLZSXJM-SNVBAGLBSA-N 0 1 293.260 2.874 20 10 CFCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894779246 619464012 /nfs/dbraw/zinc/46/40/12/619464012.db2.gz DZIHJFYSCIQNKE-HNNXBMFYSA-N 0 1 285.334 2.797 20 10 CFCDMN C[C@@]1(F)CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894869317 619492080 /nfs/dbraw/zinc/49/20/80/619492080.db2.gz TWPHXAJGGBOOMY-CYBMUJFWSA-N 0 1 259.271 2.994 20 10 CFCDMN COc1cc(CN2C[C@@H](C)OC(C)(C)C2)c(O)cc1C ZINC000159942102 619504354 /nfs/dbraw/zinc/50/43/54/619504354.db2.gz JMFVZBAYEQKRBN-GFCCVEGCSA-N 0 1 279.380 2.709 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000049083395 619511643 /nfs/dbraw/zinc/51/16/43/619511643.db2.gz CSSLUJYQSBTOAI-GXTWGEPZSA-N 0 1 270.376 2.900 20 10 CFCDMN C[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000895731071 619593203 /nfs/dbraw/zinc/59/32/03/619593203.db2.gz VFYKNTAHVRNAJI-RXMQYKEDSA-N 0 1 253.651 2.928 20 10 CFCDMN Oc1cccc2c1CN(Cc1cccc3c1OCC3)C2 ZINC000895784319 619606225 /nfs/dbraw/zinc/60/62/25/619606225.db2.gz HDFJOGXQGBAMAE-UHFFFAOYSA-N 0 1 267.328 2.843 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc(F)c1F ZINC000895841351 619617141 /nfs/dbraw/zinc/61/71/41/619617141.db2.gz BSNIVBMPHRVPDT-MFKMUULPSA-N 0 1 283.318 2.671 20 10 CFCDMN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743752 620181693 /nfs/dbraw/zinc/18/16/93/620181693.db2.gz BYAUWXVCEFARFK-QWRGUYRKSA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1cccc(O)c1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898141713 620339131 /nfs/dbraw/zinc/33/91/31/620339131.db2.gz ABAQCHFLIBLNSN-VQIMIIECSA-N 0 1 297.398 2.736 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1Cl ZINC000898376562 620377771 /nfs/dbraw/zinc/37/77/71/620377771.db2.gz MXVXYPPYDMZHIL-OCCSQVGLSA-N 0 1 281.783 2.869 20 10 CFCDMN CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000322532959 620384510 /nfs/dbraw/zinc/38/45/10/620384510.db2.gz QNLCFIHQAJWISZ-NWDGAFQWSA-N 0 1 286.375 2.721 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Cl)ccc1[O-] ZINC000926947830 620429906 /nfs/dbraw/zinc/42/99/06/620429906.db2.gz LJNGMMCNEYCCDM-NOBRSGAKSA-N 0 1 297.782 2.500 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000927146578 620492780 /nfs/dbraw/zinc/49/27/80/620492780.db2.gz FTRHUAUQDRRWJK-GAFUQQFSSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)c1ccccc1O ZINC000899181929 620528340 /nfs/dbraw/zinc/52/83/40/620528340.db2.gz OROHWBNPBHFPFU-MNOVXSKESA-N 0 1 299.374 2.731 20 10 CFCDMN C[C@@H]([NH2+]CC1(N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902407552 621055488 /nfs/dbraw/zinc/05/54/88/621055488.db2.gz QLKWAZJODLEPHO-SSDOTTSWSA-N 0 1 275.179 2.841 20 10 CFCDMN CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639223 621140945 /nfs/dbraw/zinc/14/09/45/621140945.db2.gz PBZBCGRLGDYNPY-GOEBONIOSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639223 621140949 /nfs/dbraw/zinc/14/09/49/621140949.db2.gz PBZBCGRLGDYNPY-GOEBONIOSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Br)cc1[O-] ZINC000903317104 621330003 /nfs/dbraw/zinc/33/00/03/621330003.db2.gz JPXQFOAMFJCPJW-ONGXEEELSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Br)ccc1[O-] ZINC000903317730 621330699 /nfs/dbraw/zinc/33/06/99/621330699.db2.gz MDMLXHUUYJDTLL-MWLCHTKSSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Br)ccc1[O-] ZINC000903317731 621330779 /nfs/dbraw/zinc/33/07/79/621330779.db2.gz MDMLXHUUYJDTLL-ONGXEEELSA-N 0 1 299.212 2.509 20 10 CFCDMN COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000903338925 621334497 /nfs/dbraw/zinc/33/44/97/621334497.db2.gz VDMKTFILFYLOAS-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903394948 621352873 /nfs/dbraw/zinc/35/28/73/621352873.db2.gz ILTSDBRSRDJDJE-HOTUBEGUSA-N 0 1 255.745 2.731 20 10 CFCDMN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903394950 621353179 /nfs/dbraw/zinc/35/31/79/621353179.db2.gz ILTSDBRSRDJDJE-VDDIYKPWSA-N 0 1 255.745 2.731 20 10 CFCDMN CN(C)c1ccc(CN2CCOc3ccc(N)cc3C2)cc1 ZINC000903947317 621485343 /nfs/dbraw/zinc/48/53/43/621485343.db2.gz QBRUBQPXFJNHFM-UHFFFAOYSA-N 0 1 297.402 2.729 20 10 CFCDMN CO[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000311078113 621999840 /nfs/dbraw/zinc/99/98/40/621999840.db2.gz WCKGJQTWNSVSIW-CQSZACIVSA-N 0 1 269.772 2.950 20 10 CFCDMN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227374853 623108375 /nfs/dbraw/zinc/10/83/75/623108375.db2.gz SSUYHMMHQAOCSS-GFCCVEGCSA-N 0 1 271.788 2.932 20 10 CFCDMN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000227827362 623119946 /nfs/dbraw/zinc/11/99/46/623119946.db2.gz RJCLAWDBDIGHSX-QWHCGFSZSA-N 0 1 269.772 2.949 20 10 CFCDMN CCOC(=O)CN(Cc1ccccc1O)CC1CCC1 ZINC000823581759 623352739 /nfs/dbraw/zinc/35/27/39/623352739.db2.gz OWXZXRACGAHGQS-UHFFFAOYSA-N 0 1 277.364 2.557 20 10 CFCDMN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824541963 623520114 /nfs/dbraw/zinc/52/01/14/623520114.db2.gz LLRGRAFLAGCRDA-NSHDSACASA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824541963 623520118 /nfs/dbraw/zinc/52/01/18/623520118.db2.gz LLRGRAFLAGCRDA-NSHDSACASA-N 0 1 297.782 2.739 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCO2)cc1Cl ZINC000824556497 623523686 /nfs/dbraw/zinc/52/36/86/623523686.db2.gz WABZIISEIVVXLY-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCO2)cc1Cl ZINC000824556497 623523689 /nfs/dbraw/zinc/52/36/89/623523689.db2.gz WABZIISEIVVXLY-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824587374 623528716 /nfs/dbraw/zinc/52/87/16/623528716.db2.gz WFMFHVQXGDYGCY-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824587374 623528721 /nfs/dbraw/zinc/52/87/21/623528721.db2.gz WFMFHVQXGDYGCY-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824847247 623577257 /nfs/dbraw/zinc/57/72/57/623577257.db2.gz XKAFAMAURGOSRY-GOEBONIOSA-N 0 1 295.810 2.932 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1Cl ZINC000824906597 623585903 /nfs/dbraw/zinc/58/59/03/623585903.db2.gz QKMJFCZBRXYNOO-HNNXBMFYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1Cl ZINC000824906597 623585908 /nfs/dbraw/zinc/58/59/08/623585908.db2.gz QKMJFCZBRXYNOO-HNNXBMFYSA-N 0 1 281.783 2.966 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1O ZINC000824943081 623592869 /nfs/dbraw/zinc/59/28/69/623592869.db2.gz HEOSRSQWXIUIIL-QMTHXVAHSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1O ZINC000824943081 623592870 /nfs/dbraw/zinc/59/28/70/623592870.db2.gz HEOSRSQWXIUIIL-QMTHXVAHSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1ccc(O)c(CN[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017175 623607903 /nfs/dbraw/zinc/60/79/03/623607903.db2.gz NKOZSKOMAYEBTO-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017800 623608273 /nfs/dbraw/zinc/60/82/73/623608273.db2.gz YWDORYIRWMXAEP-COPLHBTASA-N 0 1 287.363 2.954 20 10 CFCDMN C[C@@H](O)CN(Cc1cc(Cl)c(F)cc1O)CC(F)F ZINC000825103027 623629911 /nfs/dbraw/zinc/62/99/11/623629911.db2.gz BCUGKLWJINHWAE-SSDOTTSWSA-N 0 1 297.704 2.633 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCOC2)cc1Cl ZINC000825284359 623664831 /nfs/dbraw/zinc/66/48/31/623664831.db2.gz YVZQZJDPPKYVPT-AWEZNQCLSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CCC2)cc1Cl ZINC000825347892 623679085 /nfs/dbraw/zinc/67/90/85/623679085.db2.gz UDJGEVRXJCQTJQ-UHFFFAOYSA-N 0 1 283.799 2.996 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H](O)CC2)cc1Cl ZINC000825380230 623684197 /nfs/dbraw/zinc/68/41/97/623684197.db2.gz YSURBPDZLZRUAD-HAQNSBGRSA-N 0 1 269.772 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1Cl ZINC000825435760 623693487 /nfs/dbraw/zinc/69/34/87/623693487.db2.gz JCSWLZLCCMPFMT-MLCYQJTMSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825474767 623700786 /nfs/dbraw/zinc/70/07/86/623700786.db2.gz GOIRNAWZQXKGCC-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825474767 623700798 /nfs/dbraw/zinc/70/07/98/623700798.db2.gz GOIRNAWZQXKGCC-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1Cl ZINC000825548083 623713722 /nfs/dbraw/zinc/71/37/22/623713722.db2.gz BDDGHETUZRDAES-CHWSQXEVSA-N 0 1 269.772 2.747 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1Cl ZINC000825629021 623726771 /nfs/dbraw/zinc/72/67/71/623726771.db2.gz PJBZJRRLBRQLMI-CQSZACIVSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1Cl ZINC000825629021 623726774 /nfs/dbraw/zinc/72/67/74/623726774.db2.gz PJBZJRRLBRQLMI-CQSZACIVSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)cc1Cl ZINC000825704529 623743789 /nfs/dbraw/zinc/74/37/89/623743789.db2.gz SRFKSHKFZAAOLF-MFKMUULPSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)cc1Cl ZINC000825738550 623749187 /nfs/dbraw/zinc/74/91/87/623749187.db2.gz PQJQEBYMWCQKKW-LLVKDONJSA-N 0 1 281.783 2.822 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826017201 623782660 /nfs/dbraw/zinc/78/26/60/623782660.db2.gz PMSCLYFRATXETP-AWEZNQCLSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)CO)cc1Cl ZINC000826037282 623786002 /nfs/dbraw/zinc/78/60/02/623786002.db2.gz ZJWTZXPQUGSWJQ-UHFFFAOYSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1Cl ZINC000826123073 623795328 /nfs/dbraw/zinc/79/53/28/623795328.db2.gz FRYZBDOSTGZKAP-AAEUAGOBSA-N 0 1 283.799 2.995 20 10 CFCDMN CCOc1ccc(CN2CCO[C@](C)(C3CC3)C2)c(O)c1 ZINC000826877949 623900959 /nfs/dbraw/zinc/90/09/59/623900959.db2.gz OWJRKSHRSVNIBI-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151627 623954981 /nfs/dbraw/zinc/95/49/81/623954981.db2.gz GWUBDIBAADZGEM-OAHLLOKOSA-N 0 1 299.773 2.922 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279993 623980345 /nfs/dbraw/zinc/98/03/45/623980345.db2.gz COJSOLATAGPMKK-IUODEOHRSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279993 623980347 /nfs/dbraw/zinc/98/03/47/623980347.db2.gz COJSOLATAGPMKK-IUODEOHRSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279993 623980350 /nfs/dbraw/zinc/98/03/50/623980350.db2.gz COJSOLATAGPMKK-IUODEOHRSA-N 0 1 281.783 2.822 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000827507110 624020111 /nfs/dbraw/zinc/02/01/11/624020111.db2.gz VDFRNYJHFIEEPT-NXEZZACHSA-N 0 1 267.756 2.896 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000827507110 624020117 /nfs/dbraw/zinc/02/01/17/624020117.db2.gz VDFRNYJHFIEEPT-NXEZZACHSA-N 0 1 267.756 2.896 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000827601702 624042646 /nfs/dbraw/zinc/04/26/46/624042646.db2.gz HLHPBWMHLZUZTP-NEPJUHHUSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000827601702 624042652 /nfs/dbraw/zinc/04/26/52/624042652.db2.gz HLHPBWMHLZUZTP-NEPJUHHUSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000827601706 624043160 /nfs/dbraw/zinc/04/31/60/624043160.db2.gz HLHPBWMHLZUZTP-RYUDHWBXSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000827601706 624043164 /nfs/dbraw/zinc/04/31/64/624043164.db2.gz HLHPBWMHLZUZTP-RYUDHWBXSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1Cl ZINC000827691849 624066181 /nfs/dbraw/zinc/06/61/81/624066181.db2.gz CONHPYRSHPSDGV-ABAIWWIYSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1Cl ZINC000827691849 624066183 /nfs/dbraw/zinc/06/61/83/624066183.db2.gz CONHPYRSHPSDGV-ABAIWWIYSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)CO ZINC000827699127 624069567 /nfs/dbraw/zinc/06/95/67/624069567.db2.gz FKTMIXODYSZWJK-XPTSAGLGSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000186066813 625831328 /nfs/dbraw/zinc/83/13/28/625831328.db2.gz CAVQLEJVCQPVQL-QWRKXWFKSA-N 0 1 255.745 2.610 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H]2CCn3ccnc32)c1 ZINC000834833157 625892665 /nfs/dbraw/zinc/89/26/65/625892665.db2.gz VPUXEHNMNUPIEZ-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000083551603 625977254 /nfs/dbraw/zinc/97/72/54/625977254.db2.gz XUVMWYMDDDKGNC-LBPRGKRZSA-N 0 1 299.798 2.721 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCCO1 ZINC000083551796 625977633 /nfs/dbraw/zinc/97/76/33/625977633.db2.gz METHZAJDIDTALT-SNVBAGLBSA-N 0 1 255.745 2.704 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cccnc1 ZINC000083551813 625977640 /nfs/dbraw/zinc/97/76/40/625977640.db2.gz LPHAPZFGTHEGGJ-UHFFFAOYSA-N 0 1 262.740 2.773 20 10 CFCDMN Cc1nn(C)c(C)c1CNCc1ccc2c(c1)CCCO2 ZINC000921645996 626038978 /nfs/dbraw/zinc/03/89/78/626038978.db2.gz VNQDOAOKLNVNSZ-UHFFFAOYSA-N 0 1 285.391 2.652 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1cnn(C)c1 ZINC000921774687 626117777 /nfs/dbraw/zinc/11/77/77/626117777.db2.gz ABMNSRHZXXMSSB-LBPRGKRZSA-N 0 1 271.364 2.596 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851707478 634481641 /nfs/dbraw/zinc/48/16/41/634481641.db2.gz DJNCZZLLEUOAJI-ZDUSSCGKSA-N 0 1 290.407 2.970 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722299 626352758 /nfs/dbraw/zinc/35/27/58/626352758.db2.gz FAEALWUXJKIBPV-TUAOUCFPSA-N 0 1 279.767 2.726 20 10 CFCDMN C[C@H]([NH2+]CC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000756562704 626420986 /nfs/dbraw/zinc/42/09/86/626420986.db2.gz INKBYWIANBGAHI-VIFPVBQESA-N 0 1 255.745 2.611 20 10 CFCDMN CN(C)c1ccc(CNCc2cnc(C3CC3)nc2)cc1 ZINC000838895440 626514532 /nfs/dbraw/zinc/51/45/32/626514532.db2.gz PHZDECHAVFFABF-UHFFFAOYSA-N 0 1 282.391 2.710 20 10 CFCDMN COCC1(C)CN(Cc2cc(Cl)ccc2O)C1 ZINC000839145977 626526121 /nfs/dbraw/zinc/52/61/21/626526121.db2.gz YPOXORJXULKPIE-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2CC3(C2)CCCOC3)cc1 ZINC000839138744 626528322 /nfs/dbraw/zinc/52/83/22/626528322.db2.gz SMWKMCPLTZUGTE-HYXAFXHYSA-N 0 1 286.419 2.878 20 10 CFCDMN Cc1ncc(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000839170356 626529399 /nfs/dbraw/zinc/52/93/99/626529399.db2.gz LLGBSIFGMZZKSV-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H]1CCOC1 ZINC000761192489 626814485 /nfs/dbraw/zinc/81/44/85/626814485.db2.gz OGWBSEVCKLCWTD-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H]1CCOC1 ZINC000761192489 626814489 /nfs/dbraw/zinc/81/44/89/626814489.db2.gz OGWBSEVCKLCWTD-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H]1CCOC1 ZINC000761192489 626814492 /nfs/dbraw/zinc/81/44/92/626814492.db2.gz OGWBSEVCKLCWTD-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN COc1cccc(O)c1CN(C)Cc1ccc(C)o1 ZINC000768169796 627323018 /nfs/dbraw/zinc/32/30/18/627323018.db2.gz WSKCLGIFDDMMPA-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN CC1=CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769446976 627439196 /nfs/dbraw/zinc/43/91/96/627439196.db2.gz RACQGTOTWIZSLN-UHFFFAOYSA-N 0 1 290.382 2.814 20 10 CFCDMN COCCOC[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769506106 627449300 /nfs/dbraw/zinc/44/93/00/627449300.db2.gz AHDQJBIMSNHTHU-LBPRGKRZSA-N 0 1 299.798 2.531 20 10 CFCDMN COCCOC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769506106 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/nfs/dbraw/zinc/28/11/40/631281140.db2.gz BPXQHDVOOJNMLD-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CCCO)C2)c(Cl)c1 ZINC000840952500 631281147 /nfs/dbraw/zinc/28/11/47/631281147.db2.gz BPXQHDVOOJNMLD-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CC(C(F)F)C1 ZINC000840952687 631281300 /nfs/dbraw/zinc/28/13/00/631281300.db2.gz FZPJSBLQOGJBHL-UHFFFAOYSA-N 0 1 254.324 2.758 20 10 CFCDMN COCC[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000840955722 631282531 /nfs/dbraw/zinc/28/25/31/631282531.db2.gz VVYVYPVCINYXPC-JTQLQIEISA-N 0 1 257.761 2.808 20 10 CFCDMN CN(CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000809756502 631283433 /nfs/dbraw/zinc/28/34/33/631283433.db2.gz WEZCSSSGAALUMS-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN CN(CC[N@H+](C)C1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809756502 631283437 /nfs/dbraw/zinc/28/34/37/631283437.db2.gz WEZCSSSGAALUMS-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN CN(CC[N@@H+](C)C1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809756502 631283442 /nfs/dbraw/zinc/28/34/42/631283442.db2.gz WEZCSSSGAALUMS-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975951 631291332 /nfs/dbraw/zinc/29/13/32/631291332.db2.gz ATDQTUAROMQRDZ-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1nccn1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746650 631464377 /nfs/dbraw/zinc/46/43/77/631464377.db2.gz JRGLFTJSBXQQHC-SNVBAGLBSA-N 0 1 279.771 2.901 20 10 CFCDMN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758363 631468410 /nfs/dbraw/zinc/46/84/10/631468410.db2.gz LJDCXTVRFZOBBK-JOYOIKCWSA-N 0 1 257.761 2.713 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841765096 631469891 /nfs/dbraw/zinc/46/98/91/631469891.db2.gz VBSGBGLDQCIBLW-NEPJUHHUSA-N 0 1 299.798 2.749 20 10 CFCDMN CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765585 631469969 /nfs/dbraw/zinc/46/99/69/631469969.db2.gz ZXMKIKDJXUAZQG-ZANVPECISA-N 0 1 257.761 2.857 20 10 CFCDMN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765293 631470170 /nfs/dbraw/zinc/47/01/70/631470170.db2.gz XOUOTKCKHMUCFX-RNCFNFMXSA-N 0 1 257.761 2.713 20 10 CFCDMN CC(=O)C(=O)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842617684 631683142 /nfs/dbraw/zinc/68/31/42/631683142.db2.gz IRZPWBGOWVLMSI-OAHLLOKOSA-N 0 1 291.416 2.542 20 10 CFCDMN CC(=O)C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000842617684 631683148 /nfs/dbraw/zinc/68/31/48/631683148.db2.gz IRZPWBGOWVLMSI-OAHLLOKOSA-N 0 1 291.416 2.542 20 10 CFCDMN COc1cc(CN2C[C@H](C)OC3(CCC3)C2)c(O)cc1C ZINC000842638427 631688947 /nfs/dbraw/zinc/68/89/47/631688947.db2.gz AILRPMWTXOLGJI-ZDUSSCGKSA-N 0 1 291.391 2.853 20 10 CFCDMN CC1(C)[C@@H](O)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000812779603 631771938 /nfs/dbraw/zinc/77/19/38/631771938.db2.gz SYSTUUAYPIDGLG-NSHDSACASA-N 0 1 273.735 2.530 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CCOCC1 ZINC000156026317 650040408 /nfs/dbraw/zinc/04/04/08/650040408.db2.gz GDCQYYIVWSXNAE-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC1CCOCC1 ZINC000156026317 650040412 /nfs/dbraw/zinc/04/04/12/650040412.db2.gz GDCQYYIVWSXNAE-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CCC(C)([NH3+])CC2)c1[O-] ZINC000843376082 631941444 /nfs/dbraw/zinc/94/14/44/631941444.db2.gz VDPFIALAAWAGNF-UHFFFAOYSA-N 0 1 296.798 2.561 20 10 CFCDMN Cc1cc(Br)cc(CNCc2ccno2)c1O ZINC000843402522 631945686 /nfs/dbraw/zinc/94/56/86/631945686.db2.gz JTNLIMOQGOIIIY-UHFFFAOYSA-N 0 1 297.152 2.741 20 10 CFCDMN C/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684877 631949819 /nfs/dbraw/zinc/94/98/19/631949819.db2.gz PCLDMJNSNDJRLY-NSCUHMNNSA-N 0 1 260.120 2.891 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428461 631955514 /nfs/dbraw/zinc/95/55/14/631955514.db2.gz JOSHURIJVDQEHR-CQSZACIVSA-N 0 1 265.328 2.532 20 10 CFCDMN CC[C@@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1[O-] ZINC000813878659 631971555 /nfs/dbraw/zinc/97/15/55/631971555.db2.gz DRUSVTNGLVMESD-CYBMUJFWSA-N 0 1 285.771 2.502 20 10 CFCDMN Cc1cc(CN[C@@H](CO)c2ccsc2)ccc1N(C)C ZINC000815094939 632200770 /nfs/dbraw/zinc/20/07/70/632200770.db2.gz PVHHQZSJSQRWEI-HNNXBMFYSA-N 0 1 290.432 2.946 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)[C@H](C)CO1 ZINC000844733294 632291907 /nfs/dbraw/zinc/29/19/07/632291907.db2.gz SDCXXBJBNXZLFM-TZMCWYRMSA-N 0 1 279.380 2.709 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000844938669 632342703 /nfs/dbraw/zinc/34/27/03/632342703.db2.gz VWFJGICSXSHAHP-NSHDSACASA-N 0 1 271.744 2.649 20 10 CFCDMN C[C@H]1COCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514265 632475247 /nfs/dbraw/zinc/47/52/47/632475247.db2.gz RKTRNFICLHRGHX-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCCO)C1CC1 ZINC000816510370 632475444 /nfs/dbraw/zinc/47/54/44/632475444.db2.gz TXSSWOKRYCCENK-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000816518947 632478001 /nfs/dbraw/zinc/47/80/01/632478001.db2.gz SNPHFOQOKRWZIW-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCCOC2)ccc2ccccc21 ZINC000816546518 632482183 /nfs/dbraw/zinc/48/21/83/632482183.db2.gz MODLCUCVNKBLQE-AWEZNQCLSA-N 0 1 257.333 2.814 20 10 CFCDMN CC(C)N1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816552580 632482960 /nfs/dbraw/zinc/48/29/60/632482960.db2.gz QGYJRKTXJRTTJI-OAHLLOKOSA-N 0 1 298.386 2.644 20 10 CFCDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816568883 632486666 /nfs/dbraw/zinc/48/66/66/632486666.db2.gz SDXAEOIGJXIWCU-CYBMUJFWSA-N 0 1 287.762 2.920 20 10 CFCDMN [O-]c1c(C[NH2+]CCc2cn[nH]c2)ccc2ccccc21 ZINC000816615319 632495456 /nfs/dbraw/zinc/49/54/56/632495456.db2.gz SYCKRIXDFTYCTF-UHFFFAOYSA-N 0 1 267.332 2.601 20 10 CFCDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816660435 632506326 /nfs/dbraw/zinc/50/63/26/632506326.db2.gz DUHKKDYRFNQOAU-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816665392 632508622 /nfs/dbraw/zinc/50/86/22/632508622.db2.gz FQMIAAGLFOPGSX-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cnn(C)c2Cl)c1 ZINC000845972258 632607236 /nfs/dbraw/zinc/60/72/36/632607236.db2.gz PXGCZRZOPCYAMT-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846016710 632615692 /nfs/dbraw/zinc/61/56/92/632615692.db2.gz IUWDZKHNGORFGE-MFKMUULPSA-N 0 1 271.788 2.932 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2conc2C)cc1 ZINC000846050991 632624594 /nfs/dbraw/zinc/62/45/94/632624594.db2.gz AEBDPLQVPXNFPZ-UHFFFAOYSA-N 0 1 289.379 2.560 20 10 CFCDMN CC(C)OC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055784 632625211 /nfs/dbraw/zinc/62/52/11/632625211.db2.gz NTFFWZDJLTZBFH-SNVBAGLBSA-N 0 1 257.761 2.949 20 10 CFCDMN COc1cccc([C@@H](C)NCc2cc(C)no2)c1O ZINC000846144408 632646093 /nfs/dbraw/zinc/64/60/93/632646093.db2.gz JASSRNLNEGDPMU-SNVBAGLBSA-N 0 1 262.309 2.548 20 10 CFCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881049 632717068 /nfs/dbraw/zinc/71/70/68/632717068.db2.gz FIVWHOMSXXBFSJ-ONGXEEELSA-N 0 1 283.755 2.588 20 10 CFCDMN CC[C@@H](NCC[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951200 632751747 /nfs/dbraw/zinc/75/17/47/632751747.db2.gz BGWUDQHOMWGRMW-LLVKDONJSA-N 0 1 277.195 2.959 20 10 CFCDMN CNCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952436 632752586 /nfs/dbraw/zinc/75/25/86/632752586.db2.gz PTRGKZXITCLPNB-SSDOTTSWSA-N 0 1 263.168 2.569 20 10 CFCDMN CC[C@@H]([NH2+]C1CNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817956035 632756046 /nfs/dbraw/zinc/75/60/46/632756046.db2.gz OGPCROJFDUBLTA-SNVBAGLBSA-N 0 1 275.179 2.712 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000818358333 632837178 /nfs/dbraw/zinc/83/71/78/632837178.db2.gz VQYYEVFPVPIJED-DMDPSCGWSA-N 0 1 255.745 2.610 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000818631456 632884669 /nfs/dbraw/zinc/88/46/69/632884669.db2.gz GBFRZOJDMZMDNM-MEBBXXQBSA-N 0 1 277.364 2.694 20 10 CFCDMN Cc1ncncc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000848525243 633277076 /nfs/dbraw/zinc/27/70/76/633277076.db2.gz MKWFCTOQHYKTHL-NSHDSACASA-N 0 1 269.348 2.571 20 10 CFCDMN CCc1cccc(CN[C@@H](c2nncn2C)C(C)C)c1O ZINC000848910493 633394725 /nfs/dbraw/zinc/39/47/25/633394725.db2.gz LHSIKVSLJYLNEO-CQSZACIVSA-N 0 1 288.395 2.570 20 10 CFCDMN Cn1c(Cl)ncc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000848919685 633402135 /nfs/dbraw/zinc/40/21/35/633402135.db2.gz PUQQQEAUONNRSZ-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)[nH]c1C ZINC000850252934 633913349 /nfs/dbraw/zinc/91/33/49/633913349.db2.gz YJSQJPCTIHHRTF-ZDUSSCGKSA-N 0 1 272.396 2.943 20 10 CFCDMN C[C@@H]1C[C@H](NCc2c(O)ccc(Cl)c2F)c2ncnn21 ZINC000850352482 633951579 /nfs/dbraw/zinc/95/15/79/633951579.db2.gz YGQQBCPSHDXQSF-XCBNKYQSSA-N 0 1 296.733 2.572 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(O)(C2CC2)C2CC2)c(Cl)c1 ZINC000850385743 633969823 /nfs/dbraw/zinc/96/98/23/633969823.db2.gz BFKWYHJNKIGKEG-UHFFFAOYSA-N 0 1 295.810 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000850388254 633971801 /nfs/dbraw/zinc/97/18/01/633971801.db2.gz KGQXVUIQNKDTCP-UONOGXRCSA-N 0 1 281.783 2.747 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)c1 ZINC000850499179 634020592 /nfs/dbraw/zinc/02/05/92/634020592.db2.gz KVPZSMCPPYIJBE-GVXVVHGQSA-N 0 1 272.352 2.649 20 10 CFCDMN COc1ccnc(CN[C@H](C)c2ccccc2O)c1F ZINC000850536273 634041021 /nfs/dbraw/zinc/04/10/21/634041021.db2.gz DHLYGQNFMOSGBB-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN COc1ccnc(CN[C@H]2CCc3cccc(O)c32)c1F ZINC000850537637 634042653 /nfs/dbraw/zinc/04/26/53/634042653.db2.gz WGJIWFWZFNUPKB-NSHDSACASA-N 0 1 288.322 2.712 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850571619 634057353 /nfs/dbraw/zinc/05/73/53/634057353.db2.gz SGXIAPAIXBQGGU-WQHBLYJGSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@H]([NH2+]CCOCCF)c1cc(Cl)ccc1[O-] ZINC000853238299 634947805 /nfs/dbraw/zinc/94/78/05/634947805.db2.gz FJJNQUSGLHVRBB-VIFPVBQESA-N 0 1 261.724 2.682 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cn(C)nc1Cl ZINC000856770977 635852542 /nfs/dbraw/zinc/85/25/42/635852542.db2.gz UOGXGTQRZCNBPN-UHFFFAOYSA-N 0 1 292.814 2.738 20 10 CFCDMN C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875060 636044075 /nfs/dbraw/zinc/04/40/75/636044075.db2.gz VEWSYGOIPSMOSQ-PXAZEXFGSA-N 0 1 296.370 2.756 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)[C@@H]2CCSC2)cc1F ZINC000862220177 637289962 /nfs/dbraw/zinc/28/99/62/637289962.db2.gz LMGXLWMMNFFWHJ-LLVKDONJSA-N 0 1 286.391 2.968 20 10 CFCDMN C[C@H](O)C[C@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862246206 637297819 /nfs/dbraw/zinc/29/78/19/637297819.db2.gz CDCQXKTYVGZYJV-WCQYABFASA-N 0 1 298.377 2.766 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC1(C)COC1 ZINC000862477614 637396506 /nfs/dbraw/zinc/39/65/06/637396506.db2.gz OODKAHXREBIYPI-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1(C)COC1 ZINC000862477614 637396508 /nfs/dbraw/zinc/39/65/08/637396508.db2.gz OODKAHXREBIYPI-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](CCF)C1 ZINC000862530136 637408751 /nfs/dbraw/zinc/40/87/51/637408751.db2.gz JFJNXVSBXKAJDD-LLVKDONJSA-N 0 1 291.725 2.745 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](CCF)C1 ZINC000862531122 637410021 /nfs/dbraw/zinc/41/00/21/637410021.db2.gz WYFYQGBXBRBJSQ-SNVBAGLBSA-N 0 1 291.725 2.745 20 10 CFCDMN CCn1nccc1CNCc1ccc(OC)c(C)c1 ZINC000119015716 637459935 /nfs/dbraw/zinc/45/99/35/637459935.db2.gz FEHKBEKYVCZQRB-UHFFFAOYSA-N 0 1 259.353 2.510 20 10 CFCDMN CC[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(Cl)c1[O-] ZINC000863541537 637690305 /nfs/dbraw/zinc/69/03/05/637690305.db2.gz OBOSLECOVFVMMH-CYBMUJFWSA-N 0 1 298.814 2.594 20 10 CFCDMN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1[O-] ZINC000863545972 637691146 /nfs/dbraw/zinc/69/11/46/637691146.db2.gz CPOGOZBCJRNSCN-ZWKOPEQDSA-N 0 1 268.788 2.837 20 10 CFCDMN Oc1c(CNc2ccc3[nH]nnc3c2)ccc(F)c1F ZINC000864025160 637836831 /nfs/dbraw/zinc/83/68/31/637836831.db2.gz OYOGNYYTFGQIHK-UHFFFAOYSA-N 0 1 276.246 2.554 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnccn1 ZINC000122714279 639349764 /nfs/dbraw/zinc/34/97/64/639349764.db2.gz JIDOOFYXFVHXAY-ZDUSSCGKSA-N 0 1 270.380 2.702 20 10 CFCDMN CN(C)c1ccc(CNC(=O)c2ccc(F)cc2O)cc1 ZINC000123227389 639743216 /nfs/dbraw/zinc/74/32/16/639743216.db2.gz IQMMCHZPXKHGOO-UHFFFAOYSA-N 0 1 288.322 2.527 20 10 CFCDMN CC[C@H](NCc1cc2c(cc1O)OCO2)c1nccs1 ZINC000080259876 650655406 /nfs/dbraw/zinc/65/54/06/650655406.db2.gz IGDAJBFJDPLFIO-JTQLQIEISA-N 0 1 292.360 2.818 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000872254433 641719020 /nfs/dbraw/zinc/71/90/20/641719020.db2.gz DARWXMHEZPKIJD-AWEZNQCLSA-N 0 1 284.350 2.609 20 10 CFCDMN COc1ncccc1CNCc1c(O)cccc1Cl ZINC000083551823 650764623 /nfs/dbraw/zinc/76/46/23/650764623.db2.gz YFNBWCUSBGFAID-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCOC1 ZINC000876597357 642939663 /nfs/dbraw/zinc/93/96/63/642939663.db2.gz XBKVKGAHFBMAFD-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000876680712 642970471 /nfs/dbraw/zinc/97/04/71/642970471.db2.gz SQLLGWZGNDBBBE-GFCCVEGCSA-N 0 1 293.317 2.704 20 10 CFCDMN Oc1c(CN2CCOC[C@@H]2c2ccco2)ccc(F)c1F ZINC000876731111 642986103 /nfs/dbraw/zinc/98/61/03/642986103.db2.gz ORCLLQXCBARZGQ-GFCCVEGCSA-N 0 1 295.285 2.837 20 10 CFCDMN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764875 643000066 /nfs/dbraw/zinc/00/00/66/643000066.db2.gz OSGCDYBLSBVHPO-JQWIXIFHSA-N 0 1 284.350 2.585 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000876764881 643000691 /nfs/dbraw/zinc/00/06/91/643000691.db2.gz QXYDIWSCOKFCDJ-RISCZKNCSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000876764881 643000699 /nfs/dbraw/zinc/00/06/99/643000699.db2.gz QXYDIWSCOKFCDJ-RISCZKNCSA-N 0 1 298.377 2.833 20 10 CFCDMN C[N@@H+](CCOCC1CC1)Cc1ccc(F)c(F)c1[O-] ZINC000876784668 643006839 /nfs/dbraw/zinc/00/68/39/643006839.db2.gz 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COC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122586 779018953 /nfs/dbraw/zinc/01/89/53/779018953.db2.gz WIGCVGAEFYDGQO-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@@]1(C)O ZINC001237124174 779019873 /nfs/dbraw/zinc/01/98/73/779019873.db2.gz MXBZINVNCGIOSM-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C[C@@]1(C)O ZINC001237124174 779019878 /nfs/dbraw/zinc/01/98/78/779019878.db2.gz MXBZINVNCGIOSM-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C[C@@]1(C)O ZINC001237124174 779019884 /nfs/dbraw/zinc/01/98/84/779019884.db2.gz MXBZINVNCGIOSM-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+]1C[C@@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001237126546 779020760 /nfs/dbraw/zinc/02/07/60/779020760.db2.gz NHHSPXIZNNRITA-GXFFZTMASA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001237126546 779020768 /nfs/dbraw/zinc/02/07/68/779020768.db2.gz NHHSPXIZNNRITA-GXFFZTMASA-N 0 1 298.789 2.711 20 10 CFCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237131946 779022986 /nfs/dbraw/zinc/02/29/86/779022986.db2.gz YSBIGAAXGMBDQU-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237131946 779022994 /nfs/dbraw/zinc/02/29/94/779022994.db2.gz YSBIGAAXGMBDQU-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237411470 779100995 /nfs/dbraw/zinc/10/09/95/779100995.db2.gz GFRUWPDBZYWJCJ-GXFFZTMASA-N 0 1 298.789 2.759 20 10 CFCDMN COC(=O)CN(Cc1c(C)cccc1O)C1CCCC1 ZINC001237487678 779119189 /nfs/dbraw/zinc/11/91/89/779119189.db2.gz KKALIFYYFUSXHJ-UHFFFAOYSA-N 0 1 277.364 2.618 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237617528 779144130 /nfs/dbraw/zinc/14/41/30/779144130.db2.gz SEGJPTXBCJFNMJ-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN O=C1CN(Cc2cc(Cl)cc(F)c2O)CCC[C@@H]1F ZINC001237617392 779144787 /nfs/dbraw/zinc/14/47/87/779144787.db2.gz PRQDNSGKUJUAAC-JTQLQIEISA-N 0 1 289.709 2.688 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1COC1 ZINC001237687347 779161857 /nfs/dbraw/zinc/16/18/57/779161857.db2.gz XZEIZWRGHJBKKN-UHFFFAOYSA-N 0 1 255.745 2.575 20 10 CFCDMN CCN(Cc1cc(Cl)cc(C)c1O)C1COC1 ZINC001237687347 779161861 /nfs/dbraw/zinc/16/18/61/779161861.db2.gz XZEIZWRGHJBKKN-UHFFFAOYSA-N 0 1 255.745 2.575 20 10 CFCDMN CC(C)[N@@H+](CCCO)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798581 779180576 /nfs/dbraw/zinc/18/05/76/779180576.db2.gz JKPBIZBHNFNGIV-UHFFFAOYSA-N 0 1 275.751 2.778 20 10 CFCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799632 779181329 /nfs/dbraw/zinc/18/13/29/779181329.db2.gz SHSUEWOEUWLCEA-LDYMZIIASA-N 0 1 273.735 2.530 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC001237799616 779181337 /nfs/dbraw/zinc/18/13/37/779181337.db2.gz SGBSADKVHIFRJQ-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCCC12COC2 ZINC001237800054 779182104 /nfs/dbraw/zinc/18/21/04/779182104.db2.gz VUQSGILXGDZUML-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN C[N@@H+](Cc1cncnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800791 779182349 /nfs/dbraw/zinc/18/23/49/779182349.db2.gz CDZZHUVKQBHXFE-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237804920 779183152 /nfs/dbraw/zinc/18/31/52/779183152.db2.gz HYBJUNMDDHPKRW-RTCCRHLQSA-N 0 1 273.710 2.832 20 10 CFCDMN C[N@H+]1CC[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1 ZINC001237806264 779183388 /nfs/dbraw/zinc/18/33/88/779183388.db2.gz SHABWIKAUDUWTJ-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@H]1COCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237807509 779184234 /nfs/dbraw/zinc/18/42/34/779184234.db2.gz KWHPNBWFDVDAER-SECBINFHSA-N 0 1 273.735 2.653 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808669 779184299 /nfs/dbraw/zinc/18/42/99/779184299.db2.gz VSWKOCLJBUSXDN-LDYMZIIASA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@H]1O ZINC001237933655 779209614 /nfs/dbraw/zinc/20/96/14/779209614.db2.gz FMYQEZTUHLNHRB-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN C[NH+](C)C[C@@H]1CCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938133 779211406 /nfs/dbraw/zinc/21/14/06/779211406.db2.gz YOICKDBLHQESAE-NSHDSACASA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950716 779216469 /nfs/dbraw/zinc/21/64/69/779216469.db2.gz ZKRAJXFHPOODTK-WCBMZHEXSA-N 0 1 273.735 2.530 20 10 CFCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001238069350 779246101 /nfs/dbraw/zinc/24/61/01/779246101.db2.gz YJYOPKUDLOQOBY-YIONKMFJSA-N 0 1 279.355 2.982 20 10 CFCDMN COc1c(C)cnc(CN2CCc3cccc(O)c3C2)c1C ZINC001238175740 779269655 /nfs/dbraw/zinc/26/96/55/779269655.db2.gz YQTDMICXHLCMCV-UHFFFAOYSA-N 0 1 298.386 2.971 20 10 CFCDMN CCCN(Cc1cc(F)c(Cl)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236324528 779542388 /nfs/dbraw/zinc/54/23/88/779542388.db2.gz QXRFQHPUNNZAQB-LLVKDONJSA-N 0 1 286.778 2.759 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001236794761 779638780 /nfs/dbraw/zinc/63/87/80/779638780.db2.gz UNRBJYQVXLGTMN-SECBINFHSA-N 0 1 290.190 2.903 20 10 CFCDMN CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540712 781027586 /nfs/dbraw/zinc/02/75/86/781027586.db2.gz JYFWEEVIYKKWHL-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540712 781027590 /nfs/dbraw/zinc/02/75/90/781027590.db2.gz JYFWEEVIYKKWHL-KOLCDFICSA-N 0 1 271.307 2.670 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCOC1 ZINC000708414811 781273367 /nfs/dbraw/zinc/27/33/67/781273367.db2.gz SRTQOMPGPJHQAB-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C)O1 ZINC000708403192 781273544 /nfs/dbraw/zinc/27/35/44/781273544.db2.gz ZRWGVKZZVLOSJO-BXKDBHETSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000708415562 781273731 /nfs/dbraw/zinc/27/37/31/781273731.db2.gz YTLRJZSIKLZZGL-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN CCN1CCC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433586 781274955 /nfs/dbraw/zinc/27/49/55/781274955.db2.gz MRSOPWQBXPHZAR-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000708424078 781275245 /nfs/dbraw/zinc/27/52/45/781275245.db2.gz VZDIXLDMUBFWII-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN COc1ccc(N2CCCN(C/C=C/Cl)CC2)cc1 ZINC000052465807 346522667 /nfs/dbraw/zinc/52/26/67/346522667.db2.gz KEUCQGVDSSZTQC-KRXBUXKQSA-N 0 1 280.799 2.960 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC000206094889 348155814 /nfs/dbraw/zinc/15/58/14/348155814.db2.gz GVTCNXABFJWQNV-INIZCTEOSA-N 0 1 257.333 2.558 20 10 CFCDMN C[C@H](CCCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000294934265 199258098 /nfs/dbraw/zinc/25/80/98/199258098.db2.gz ZRIUERFICGXBBK-SNVBAGLBSA-N 0 1 257.761 2.544 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856017 375066644 /nfs/dbraw/zinc/06/66/44/375066644.db2.gz NNXOEPKSMGFGQO-GXTWGEPZSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856017 375066648 /nfs/dbraw/zinc/06/66/48/375066648.db2.gz NNXOEPKSMGFGQO-GXTWGEPZSA-N 0 1 299.823 2.752 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000093475754 375250974 /nfs/dbraw/zinc/25/09/74/375250974.db2.gz WFTSHANDRNVTMQ-UHFFFAOYSA-N 0 1 270.716 2.938 20 10 CFCDMN CSCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000130303748 377534749 /nfs/dbraw/zinc/53/47/49/377534749.db2.gz OKTSDTUOCCVHLY-UHFFFAOYSA-N 0 1 290.226 2.997 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)OC[C@H]2CC)c1O ZINC000131512405 377722025 /nfs/dbraw/zinc/72/20/25/377722025.db2.gz ZSGJMSMLYUDURE-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)OC[C@H]2CC)c1O ZINC000131511992 377722512 /nfs/dbraw/zinc/72/25/12/377722512.db2.gz ZSGJMSMLYUDURE-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134923124 378064301 /nfs/dbraw/zinc/06/43/01/378064301.db2.gz NWFCHSLHDUNHEJ-RKDXNWHRSA-N 0 1 288.185 2.576 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000155184359 378615795 /nfs/dbraw/zinc/61/57/95/378615795.db2.gz YVNFEZLCEIMUIL-UHFFFAOYSA-N 0 1 260.381 2.531 20 10 CFCDMN COc1cccc(CN(C)Cc2cnc(C)s2)c1O ZINC000179383097 380538012 /nfs/dbraw/zinc/53/80/12/380538012.db2.gz SPNGFUVXDCSJKD-UHFFFAOYSA-N 0 1 278.377 2.798 20 10 CFCDMN CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180215318 380634847 /nfs/dbraw/zinc/63/48/47/380634847.db2.gz PCAYMTRDJSYXFE-CYBMUJFWSA-N 0 1 280.387 2.695 20 10 CFCDMN CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180215318 380634851 /nfs/dbraw/zinc/63/48/51/380634851.db2.gz PCAYMTRDJSYXFE-CYBMUJFWSA-N 0 1 280.387 2.695 20 10 CFCDMN CC[N@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000179975064 380604938 /nfs/dbraw/zinc/60/49/38/380604938.db2.gz MTHIYOSPCQVTIL-CYBMUJFWSA-N 0 1 253.317 2.532 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000287484732 380841809 /nfs/dbraw/zinc/84/18/09/380841809.db2.gz MZWKDVJFCMWMAG-SDDRHHMPSA-N 0 1 267.344 2.855 20 10 CFCDMN CC(C)Cn1cc(CN(C)Cc2ccccc2O)cn1 ZINC000183127145 381220758 /nfs/dbraw/zinc/22/07/58/381220758.db2.gz SVADSZLVPKKKAK-UHFFFAOYSA-N 0 1 273.380 2.877 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)n[nH]1 ZINC000183621607 381295284 /nfs/dbraw/zinc/29/52/84/381295284.db2.gz ANEPZKSBWRDJBH-JQWIXIFHSA-N 0 1 259.353 2.706 20 10 CFCDMN C[C@@H](c1cccnc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000183730673 381313294 /nfs/dbraw/zinc/31/32/94/381313294.db2.gz QEKDSPCZZYVECT-NSHDSACASA-N 0 1 286.331 2.709 20 10 CFCDMN CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185463038 381640305 /nfs/dbraw/zinc/64/03/05/381640305.db2.gz FGHHPCNLHDGECT-TVQRCGJNSA-N 0 1 257.761 2.713 20 10 CFCDMN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185510640 381653324 /nfs/dbraw/zinc/65/33/24/381653324.db2.gz UPLWDKWLHJKQJT-VYUIOLGVSA-N 0 1 289.828 2.809 20 10 CFCDMN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185673061 381702687 /nfs/dbraw/zinc/70/26/87/381702687.db2.gz XZKSEBOXZRGWNG-GVXVVHGQSA-N 0 1 299.798 2.890 20 10 CFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185787634 381734963 /nfs/dbraw/zinc/73/49/63/381734963.db2.gz GDCRBVZIOBKLKX-CMPLNLGQSA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)n[nH]1 ZINC000186131633 381830051 /nfs/dbraw/zinc/83/00/51/381830051.db2.gz ZBPPQMHBZPDLPM-KOLCDFICSA-N 0 1 277.343 2.845 20 10 CFCDMN CCC(CC)(CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186170779 381841544 /nfs/dbraw/zinc/84/15/44/381841544.db2.gz QTNHMALCVAFUJK-NSHDSACASA-N 0 1 269.360 2.981 20 10 CFCDMN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000186047712 381811584 /nfs/dbraw/zinc/81/15/84/381811584.db2.gz WGNCAGWTGPKXHG-GXFFZTMASA-N 0 1 296.798 2.706 20 10 CFCDMN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000186047691 381811836 /nfs/dbraw/zinc/81/18/36/381811836.db2.gz WGNCAGWTGPKXHG-GWCFXTLKSA-N 0 1 296.798 2.706 20 10 CFCDMN CCc1nocc1CN(C)Cc1cccc(OC)c1O ZINC000293556710 382173623 /nfs/dbraw/zinc/17/36/23/382173623.db2.gz FQQLSQSSTRQANQ-UHFFFAOYSA-N 0 1 276.336 2.583 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000293570459 382179196 /nfs/dbraw/zinc/17/91/96/382179196.db2.gz IYMQAQNRPGVTDO-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1nocc1CNCc1ccc2c(c1)CCCN2C ZINC000293599594 382190532 /nfs/dbraw/zinc/19/05/32/382190532.db2.gz OVDTUIOYSHWOEY-UHFFFAOYSA-N 0 1 271.364 2.655 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000187670262 382240159 /nfs/dbraw/zinc/24/01/59/382240159.db2.gz OSCDOCYNOHCZIZ-CKLFPEKLSA-N 0 1 269.772 2.856 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2nccn2C)c(O)c1 ZINC000293720194 382249989 /nfs/dbraw/zinc/24/99/89/382249989.db2.gz MJZWJOPHKGPHSR-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c([O-])cccc1Cl ZINC000377626897 382305314 /nfs/dbraw/zinc/30/53/14/382305314.db2.gz LHHOETSUQIVBQG-DLFLCNGJSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c([O-])cccc1Cl ZINC000377626897 382305319 /nfs/dbraw/zinc/30/53/19/382305319.db2.gz LHHOETSUQIVBQG-DLFLCNGJSA-N 0 1 293.794 2.901 20 10 CFCDMN Cc1cccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000364670954 382351400 /nfs/dbraw/zinc/35/14/00/382351400.db2.gz GGFKONDPQDEFCK-OAHLLOKOSA-N 0 1 294.358 2.698 20 10 CFCDMN COc1ccncc1CN[C@@H](C)c1cc(F)ccc1O ZINC000293990256 382367746 /nfs/dbraw/zinc/36/77/46/382367746.db2.gz BZAKMTKCLYDTCA-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1C ZINC000366651567 382540188 /nfs/dbraw/zinc/54/01/88/382540188.db2.gz IIDJAJJMOZHUOT-HUUCEWRRSA-N 0 1 275.392 2.867 20 10 CFCDMN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000189110702 382545356 /nfs/dbraw/zinc/54/53/56/382545356.db2.gz HRAACRYOWLSNMX-IUCAKERBSA-N 0 1 288.185 2.668 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000295000616 382559544 /nfs/dbraw/zinc/55/95/44/382559544.db2.gz UUTGSEKHBRHTSF-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190339026 382662902 /nfs/dbraw/zinc/66/29/02/382662902.db2.gz ZIYDLSAQSPWKBK-BZPMIXESSA-N 0 1 267.756 2.703 20 10 CFCDMN CCOCc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1OC ZINC000270266351 385034691 /nfs/dbraw/zinc/03/46/91/385034691.db2.gz WYGQQRCAUZDMRA-LBPRGKRZSA-N 0 1 289.379 2.806 20 10 CFCDMN COc1cc(C)nc(CN(C)Cc2ccccc2O)c1 ZINC000270293482 385044212 /nfs/dbraw/zinc/04/42/12/385044212.db2.gz NSUFAAVAPKUIDF-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)nn1C ZINC000282109766 385213876 /nfs/dbraw/zinc/21/38/76/385213876.db2.gz JAANPNDYMGLGRC-CQSZACIVSA-N 0 1 298.434 2.962 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000282180288 385237722 /nfs/dbraw/zinc/23/77/22/385237722.db2.gz FQEUMVUMHXUIRW-MFKMUULPSA-N 0 1 253.317 2.531 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)OC[C@H]2CC)c1 ZINC000271008293 385300502 /nfs/dbraw/zinc/30/05/02/385300502.db2.gz OORIJNJVEJBEFQ-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)c1cnc(C)[nH]1 ZINC000282513762 385331904 /nfs/dbraw/zinc/33/19/04/385331904.db2.gz OTKCBEWGGOLOQU-UHFFFAOYSA-N 0 1 287.363 2.866 20 10 CFCDMN CC(C)N(Cc1ccnn1C)Cc1ccc(N(C)C)cc1 ZINC000271093295 385334264 /nfs/dbraw/zinc/33/42/64/385334264.db2.gz XMPHFUREHQCWJG-UHFFFAOYSA-N 0 1 286.423 2.897 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000271244956 385377274 /nfs/dbraw/zinc/37/72/74/385377274.db2.gz BXUDJHCLTUUTIS-QPUJVOFHSA-N 0 1 290.190 2.902 20 10 CFCDMN CC[N@@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000272339696 385514490 /nfs/dbraw/zinc/51/44/90/385514490.db2.gz YNHNAJPUGYVGMV-UHFFFAOYSA-N 0 1 260.312 2.948 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000286217356 385573228 /nfs/dbraw/zinc/57/32/28/385573228.db2.gz QTOTWGQIXIUNES-INIZCTEOSA-N 0 1 270.380 2.813 20 10 CFCDMN C[N@@H+](CCc1cnccn1)Cc1cccc(Cl)c1[O-] ZINC000272826081 385626321 /nfs/dbraw/zinc/62/63/21/385626321.db2.gz PDDMNNNEPDBKLB-UHFFFAOYSA-N 0 1 277.755 2.510 20 10 CFCDMN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000273497264 385686377 /nfs/dbraw/zinc/68/63/77/385686377.db2.gz PKXZCZYMAJNHPW-JQWIXIFHSA-N 0 1 296.798 2.706 20 10 CFCDMN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000273497259 385686655 /nfs/dbraw/zinc/68/66/55/385686655.db2.gz PKXZCZYMAJNHPW-CMPLNLGQSA-N 0 1 296.798 2.706 20 10 CFCDMN CN(Cc1cn(C)nc1C(F)F)Cc1ccccc1O ZINC000274464353 385805358 /nfs/dbraw/zinc/80/53/58/385805358.db2.gz IEKJGWASQIWRDG-UHFFFAOYSA-N 0 1 281.306 2.695 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCOCC(F)(F)C1 ZINC000290232723 296589742 /nfs/dbraw/zinc/58/97/42/296589742.db2.gz TUHDEMCODAQJJT-UHFFFAOYSA-N 0 1 277.698 2.513 20 10 CFCDMN Cc1ccc(O)c(CN2CCOc3cc(O)ccc3C2)c1 ZINC000289828823 292164364 /nfs/dbraw/zinc/16/43/64/292164364.db2.gz UGNPMNYAIJOKSD-UHFFFAOYSA-N 0 1 285.343 2.801 20 10 CFCDMN CC[NH+](CC)Cc1cc(Br)ccc1[O-] ZINC000006382501 170196606 /nfs/dbraw/zinc/19/66/06/170196606.db2.gz KHSBXTXLUWLXRT-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185688560 262066539 /nfs/dbraw/zinc/06/65/39/262066539.db2.gz USTWQQHLQCBQFG-ZJUUUORDSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)ccc1[O-] ZINC000367710956 267111987 /nfs/dbraw/zinc/11/19/87/267111987.db2.gz ZIXSKKCBUMUVMY-ZBPZKIAKSA-N 0 1 267.756 2.589 20 10 CFCDMN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000369829671 267271735 /nfs/dbraw/zinc/27/17/35/267271735.db2.gz DYOHYKDHFXSMEV-AWEZNQCLSA-N 0 1 293.370 2.916 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1[O-] ZINC000370397281 267316448 /nfs/dbraw/zinc/31/64/48/267316448.db2.gz MNQIGOHMPXPXQJ-JOYOIKCWSA-N 0 1 291.782 2.977 20 10 CFCDMN Oc1ccccc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000179566316 275061728 /nfs/dbraw/zinc/06/17/28/275061728.db2.gz OKFKVXJISDCFAX-ZDUSSCGKSA-N 0 1 257.337 2.843 20 10 CFCDMN COC(=O)[C@H]1CCCCCN1Cc1cccc(C)c1O ZINC000360015744 277388029 /nfs/dbraw/zinc/38/80/29/277388029.db2.gz LUJYMYDCNZUQPR-CQSZACIVSA-N 0 1 277.364 2.618 20 10 CFCDMN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000527782973 330283155 /nfs/dbraw/zinc/28/31/55/330283155.db2.gz COIPUFCJBCKURA-OLZOCXBDSA-N 0 1 255.745 2.703 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000528757181 333455778 /nfs/dbraw/zinc/45/57/78/333455778.db2.gz MFQKLZIWMKCHOJ-HFJLCZBOSA-N 0 1 295.354 2.635 20 10 CFCDMN CCN(CC)c1ccc(CN2CCC[C@@](F)(CO)C2)cc1 ZINC000289917105 520892312 /nfs/dbraw/zinc/89/23/12/520892312.db2.gz VJWJJZCQOILWPW-KRWDZBQOSA-N 0 1 294.414 2.829 20 10 CFCDMN CCN(CC)c1ccc(CNCc2ccc(CO)o2)cc1 ZINC000174280371 520909157 /nfs/dbraw/zinc/90/91/57/520909157.db2.gz IHKHKRSAAAYHTR-UHFFFAOYSA-N 0 1 288.391 2.908 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000048965251 521292558 /nfs/dbraw/zinc/29/25/58/521292558.db2.gz IHHDCZZTONSCFM-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]1CCCO1 ZINC000048965251 521292560 /nfs/dbraw/zinc/29/25/60/521292560.db2.gz IHHDCZZTONSCFM-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CCN(Cc1cc(F)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000048965251 521292565 /nfs/dbraw/zinc/29/25/65/521292565.db2.gz IHHDCZZTONSCFM-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CCc1cnc(CNCc2cc(OC)ccc2O)s1 ZINC000224888474 522035299 /nfs/dbraw/zinc/03/52/99/522035299.db2.gz QVQMXNLORVZDKA-UHFFFAOYSA-N 0 1 278.377 2.710 20 10 CFCDMN CN(C)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000264935454 522208848 /nfs/dbraw/zinc/20/88/48/522208848.db2.gz CPKFOGWYFHOAMY-UHFFFAOYSA-N 0 1 291.782 2.796 20 10 CFCDMN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccccc2O)[nH]1 ZINC000277386261 522438460 /nfs/dbraw/zinc/43/84/60/522438460.db2.gz JBOSYBLQOOYCAX-GHMZBOCLSA-N 0 1 274.368 2.875 20 10 CFCDMN COC[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OC ZINC000230672230 522682819 /nfs/dbraw/zinc/68/28/19/522682819.db2.gz QZLADCRFWGWALV-JSGCOSHPSA-N 0 1 289.375 2.857 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000211425799 522843689 /nfs/dbraw/zinc/84/36/89/522843689.db2.gz RGOWDOYCJDBTMH-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000211425799 522843692 /nfs/dbraw/zinc/84/36/92/522843692.db2.gz RGOWDOYCJDBTMH-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278212251 523092114 /nfs/dbraw/zinc/09/21/14/523092114.db2.gz KGUDNWAVACRYKS-NSHDSACASA-N 0 1 294.351 2.931 20 10 CFCDMN CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278849140 523332342 /nfs/dbraw/zinc/33/23/42/523332342.db2.gz KTWGAJJXGRYBKW-SNVBAGLBSA-N 0 1 280.324 2.541 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000293070125 523536191 /nfs/dbraw/zinc/53/61/91/523536191.db2.gz SWDDEAGGEYJZPC-ZDUSSCGKSA-N 0 1 255.745 2.560 20 10 CFCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295301 523621153 /nfs/dbraw/zinc/62/11/53/523621153.db2.gz CCSQPAWMYRSVGZ-ZYHUDNBSSA-N 0 1 294.351 2.929 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000276424098 523962185 /nfs/dbraw/zinc/96/21/85/523962185.db2.gz GNUBZPVGICPNOY-QWRGUYRKSA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000276424098 523962187 /nfs/dbraw/zinc/96/21/87/523962187.db2.gz GNUBZPVGICPNOY-QWRGUYRKSA-N 0 1 297.782 2.677 20 10 CFCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000237614065 524295961 /nfs/dbraw/zinc/29/59/61/524295961.db2.gz KOXSOMHAOMVBGZ-ZDUSSCGKSA-N 0 1 276.380 2.582 20 10 CFCDMN COc1ccc(O)c(CN(Cc2cccnc2)C2CC2)c1 ZINC000290356437 524739076 /nfs/dbraw/zinc/73/90/76/524739076.db2.gz GMNQIPXKCFULBU-UHFFFAOYSA-N 0 1 284.359 2.960 20 10 CFCDMN C[C@@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000086625906 524776409 /nfs/dbraw/zinc/77/64/09/524776409.db2.gz AROJLGUMEBTZKD-VXGBXAGGSA-N 0 1 259.349 2.824 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279427587 524998528 /nfs/dbraw/zinc/99/85/28/524998528.db2.gz XMBSPWRZBNBIAF-CXAGYDPISA-N 0 1 274.408 2.752 20 10 CFCDMN O=[N+]([O-])c1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000048400335 527401285 /nfs/dbraw/zinc/40/12/85/527401285.db2.gz CDCQOBMLSYHFBY-UHFFFAOYSA-N 0 1 284.315 2.820 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000083662528 527579961 /nfs/dbraw/zinc/57/99/61/527579961.db2.gz HZHADAITNNFTIR-CYBMUJFWSA-N 0 1 291.778 2.739 20 10 CFCDMN Cc1cc(F)ccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000728697051 574104825 /nfs/dbraw/zinc/10/48/25/574104825.db2.gz JFDGFUBJLCLRKY-XNTDXEJSSA-N 0 1 296.301 2.596 20 10 CFCDMN Cc1oc(C[N@H+](C)Cc2ccccc2O)cc1C(=O)[O-] ZINC000738967118 574191468 /nfs/dbraw/zinc/19/14/68/574191468.db2.gz PBHJHENMERCYSW-UHFFFAOYSA-N 0 1 275.304 2.624 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCNc1ccccn1 ZINC000747811670 574213695 /nfs/dbraw/zinc/21/36/95/574213695.db2.gz GUMABPQMNIYQPP-UHFFFAOYSA-N 0 1 277.755 2.642 20 10 CFCDMN CCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000748088613 574228159 /nfs/dbraw/zinc/22/81/59/574228159.db2.gz OBWPWHFLGUBELS-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000748088613 574228161 /nfs/dbraw/zinc/22/81/61/574228161.db2.gz OBWPWHFLGUBELS-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN COC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000730107619 574253604 /nfs/dbraw/zinc/25/36/04/574253604.db2.gz OXBUTDRFLWZOLT-UHFFFAOYSA-N 0 1 297.782 2.867 20 10 CFCDMN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(Cl)ccc1[O-] ZINC000756756918 574260737 /nfs/dbraw/zinc/26/07/37/574260737.db2.gz AKERCOVJVJJDPX-RAALSFIWSA-N 0 1 289.828 2.853 20 10 CFCDMN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000743500314 574367450 /nfs/dbraw/zinc/36/74/50/574367450.db2.gz WMFCWLPUTIUNFQ-GXFFZTMASA-N 0 1 271.788 2.932 20 10 CFCDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000086725241 600142254 /nfs/dbraw/zinc/14/22/54/600142254.db2.gz DZFIXYHVLNHJPJ-UHFFFAOYSA-N 0 1 271.316 2.722 20 10 CFCDMN CCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccccc1O ZINC000829486308 601161437 /nfs/dbraw/zinc/16/14/37/601161437.db2.gz BMSOLRUKNXVEDP-WQLSENKSSA-N 0 1 263.337 2.635 20 10 CFCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086779215 601892511 /nfs/dbraw/zinc/89/25/11/601892511.db2.gz PBPRVMYGKQISOY-QGZVFWFLSA-N 0 1 285.343 2.842 20 10 CFCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086779212 601892523 /nfs/dbraw/zinc/89/25/23/601892523.db2.gz PBPRVMYGKQISOY-KRWDZBQOSA-N 0 1 285.343 2.842 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)CC(=O)[O-])c1O ZINC000825946695 604444289 /nfs/dbraw/zinc/44/42/89/604444289.db2.gz LQHJCOFMITWMMK-UHFFFAOYSA-N 0 1 299.754 2.591 20 10 CFCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000829475788 604473371 /nfs/dbraw/zinc/47/33/71/604473371.db2.gz CJUJKIKEKBKAOU-UHFFFAOYSA-N 0 1 290.407 2.974 20 10 CFCDMN C[C@H](C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1)C(=O)[O-] ZINC000833516395 605750507 /nfs/dbraw/zinc/75/05/07/605750507.db2.gz MMFJBXJYYLZKLM-SECBINFHSA-N 0 1 283.755 2.731 20 10 CFCDMN COc1cc(CN2CCOC[C@H]2CC(C)C)c(O)cc1C ZINC000160198785 617609526 /nfs/dbraw/zinc/60/95/26/617609526.db2.gz YXEZOFDPUXLYKF-OAHLLOKOSA-N 0 1 293.407 2.956 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC1CCCC1 ZINC000849049731 618120298 /nfs/dbraw/zinc/12/02/98/618120298.db2.gz VJXCAVGOZVQHGU-UHFFFAOYSA-N 0 1 267.760 2.602 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cn2cccn2)c(Cl)c1 ZINC000840877741 618235077 /nfs/dbraw/zinc/23/50/77/618235077.db2.gz KQOMHQTZJWJSRO-LLVKDONJSA-N 0 1 279.771 2.729 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775500167 618271880 /nfs/dbraw/zinc/27/18/80/618271880.db2.gz YCXHPXBVPWNDNI-YPMHNXCESA-N 0 1 268.788 2.790 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894035441 618277613 /nfs/dbraw/zinc/27/76/13/618277613.db2.gz YCQUGCSIYDOPBQ-UHFFFAOYSA-N 0 1 273.348 2.998 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000894088989 618317689 /nfs/dbraw/zinc/31/76/89/618317689.db2.gz NPURFAAANYOGBR-IINYFYTJSA-N 0 1 283.318 2.671 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)OC ZINC000895128067 618345991 /nfs/dbraw/zinc/34/59/91/618345991.db2.gz SEHYZOMZIYGDGJ-LBPRGKRZSA-N 0 1 287.359 2.834 20 10 CFCDMN COc1cc(C)cc(CN2C[C@@H](C)OCC23CCC3)c1O ZINC000895142221 618375256 /nfs/dbraw/zinc/37/52/56/618375256.db2.gz KRUYIYIHHCBHMJ-CYBMUJFWSA-N 0 1 291.391 2.853 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C ZINC000784669059 618790652 /nfs/dbraw/zinc/79/06/52/618790652.db2.gz YEMQUAZXNXIODJ-BLLLJJGKSA-N 0 1 280.387 2.749 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CN2CCC1CC2 ZINC000311435627 618950948 /nfs/dbraw/zinc/95/09/48/618950948.db2.gz OCUVDJBZZFEQES-AWEZNQCLSA-N 0 1 280.799 2.572 20 10 CFCDMN Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C)c1F ZINC000313217539 618977556 /nfs/dbraw/zinc/97/75/56/618977556.db2.gz IMIZMDCETJGIOE-UHFFFAOYSA-N 0 1 295.335 2.949 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840937576 619077947 /nfs/dbraw/zinc/07/79/47/619077947.db2.gz RTEIALQVZSMOLK-WDEREUQCSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840937576 619077949 /nfs/dbraw/zinc/07/79/49/619077949.db2.gz RTEIALQVZSMOLK-WDEREUQCSA-N 0 1 269.772 2.557 20 10 CFCDMN CCN(CC[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000227550794 619157591 /nfs/dbraw/zinc/15/75/91/619157591.db2.gz CYDMRIAGMXGNQY-UHFFFAOYSA-N 0 1 268.788 2.620 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000840976811 619205320 /nfs/dbraw/zinc/20/53/20/619205320.db2.gz XYXLMPGPIUQJAJ-HNNXBMFYSA-N 0 1 297.782 2.821 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000840976811 619205325 /nfs/dbraw/zinc/20/53/25/619205325.db2.gz XYXLMPGPIUQJAJ-HNNXBMFYSA-N 0 1 297.782 2.821 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1[O-] ZINC000840979492 619208914 /nfs/dbraw/zinc/20/89/14/619208914.db2.gz SHUHYWUOUALPOJ-SMDDNHRTSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)cc(OC)c1O ZINC000893898758 619237253 /nfs/dbraw/zinc/23/72/53/619237253.db2.gz ZICFZBSMPYIERO-OCCSQVGLSA-N 0 1 279.380 2.709 20 10 CFCDMN CCN(CC)c1ccc(CNCc2c[nH]cn2)cc1F ZINC000894253009 619285018 /nfs/dbraw/zinc/28/50/18/619285018.db2.gz VLCAJKLDLWMVET-UHFFFAOYSA-N 0 1 276.359 2.685 20 10 CFCDMN Cc1ncoc1CNCc1ccc(N(C)C)cc1C ZINC000894256447 619287358 /nfs/dbraw/zinc/28/73/58/619287358.db2.gz QTJHMNKQZPPPLL-UHFFFAOYSA-N 0 1 259.353 2.647 20 10 CFCDMN COc1cc(C)cc(CNCc2ncc(C)s2)c1O ZINC000894269224 619297627 /nfs/dbraw/zinc/29/76/27/619297627.db2.gz QNYJDBZBFUWXMF-UHFFFAOYSA-N 0 1 278.377 2.764 20 10 CFCDMN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc[nH]1 ZINC000894462300 619392255 /nfs/dbraw/zinc/39/22/55/619392255.db2.gz UTZJJVAKTCLRFL-UHFFFAOYSA-N 0 1 279.290 2.964 20 10 CFCDMN C/C=C\C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894481221 619397750 /nfs/dbraw/zinc/39/77/50/619397750.db2.gz UHDDQAHXSNOVKB-MPNWYJEXSA-N 0 1 271.360 2.962 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2nccn2C2CC2)c1 ZINC000894502171 619405426 /nfs/dbraw/zinc/40/54/26/619405426.db2.gz MSOVDTURGAXPAD-NSHDSACASA-N 0 1 287.363 2.783 20 10 CFCDMN Cc1nnc([C@H](C)NCc2ccc3ccccc3c2O)[nH]1 ZINC000894774051 619460932 /nfs/dbraw/zinc/46/09/32/619460932.db2.gz NGXDLSCLUIIDCA-JTQLQIEISA-N 0 1 282.347 2.823 20 10 CFCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783405 619466523 /nfs/dbraw/zinc/46/65/23/619466523.db2.gz TUWKAOSLYFVHIU-LBPRGKRZSA-N 0 1 273.323 2.509 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000894903657 619508360 /nfs/dbraw/zinc/50/83/60/619508360.db2.gz AWDMBVDQUSRAEI-CYBMUJFWSA-N 0 1 285.359 2.998 20 10 CFCDMN CO[C@@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000895578310 619562376 /nfs/dbraw/zinc/56/23/76/619562376.db2.gz YKKUAULJUGFFKR-LBPRGKRZSA-N 0 1 293.260 2.685 20 10 CFCDMN COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000895623014 619570424 /nfs/dbraw/zinc/57/04/24/619570424.db2.gz NIIPKHZVOGELAZ-KLPPZKSPSA-N 0 1 269.772 2.869 20 10 CFCDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)C(F)F ZINC000895725898 619592484 /nfs/dbraw/zinc/59/24/84/619592484.db2.gz VHKKJEFNZRGGAD-RXMQYKEDSA-N 0 1 253.651 2.928 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc(F)c1F ZINC000895841349 619616435 /nfs/dbraw/zinc/61/64/35/619616435.db2.gz BSNIVBMPHRVPDT-GXFFZTMASA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCO[C@H](C)CC2)cc1Cl ZINC000896579772 619766330 /nfs/dbraw/zinc/76/63/30/619766330.db2.gz RBTYYTFENXMVGB-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCO[C@H](C)CC2)cc1Cl ZINC000896579772 619766333 /nfs/dbraw/zinc/76/63/33/619766333.db2.gz RBTYYTFENXMVGB-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cccc(O)c1CNCc1cc(C2CC2)n(C)n1 ZINC000897230152 619954684 /nfs/dbraw/zinc/95/46/84/619954684.db2.gz FOVZFSFENRIALU-UHFFFAOYSA-N 0 1 271.364 2.601 20 10 CFCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000897391758 620092327 /nfs/dbraw/zinc/09/23/27/620092327.db2.gz ZZUGWDBKGIYXGX-WAYWQWQTSA-N 0 1 297.402 2.998 20 10 CFCDMN Cc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1O ZINC000840997880 620116501 /nfs/dbraw/zinc/11/65/01/620116501.db2.gz SINJKCNTFBBSJA-SNPRPXQTSA-N 0 1 289.375 2.918 20 10 CFCDMN CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840997798 620116586 /nfs/dbraw/zinc/11/65/86/620116586.db2.gz HNPJQJFKGYOYAS-AATRIKPKSA-N 0 1 276.380 2.562 20 10 CFCDMN C[C@@H]([NH2+]CCSCCCO)c1ccc(Cl)cc1[O-] ZINC000841746191 620188589 /nfs/dbraw/zinc/18/85/89/620188589.db2.gz CWMREOWEBXYOAL-SNVBAGLBSA-N 0 1 289.828 2.812 20 10 CFCDMN C[C@@H]([NH2+]Cc1cncn1C)c1ccc(Cl)cc1[O-] ZINC000841752986 620234400 /nfs/dbraw/zinc/23/44/00/620234400.db2.gz DKFAHLBAZPWRJP-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841757208 620251631 /nfs/dbraw/zinc/25/16/31/620251631.db2.gz BWBCRJWCFSOGJN-YMTOWFKASA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1O ZINC000148639619 620252183 /nfs/dbraw/zinc/25/21/83/620252183.db2.gz GMCLMYFZYZWWAH-UHFFFAOYSA-N 0 1 299.298 2.780 20 10 CFCDMN Cc1noc(C2(NCc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000897896134 620299824 /nfs/dbraw/zinc/29/98/24/620299824.db2.gz OMDFCYMXIOBKBF-UHFFFAOYSA-N 0 1 297.717 2.655 20 10 CFCDMN Cc1ccc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c(O)c1 ZINC000898140943 620339203 /nfs/dbraw/zinc/33/92/03/620339203.db2.gz WZFHFNJWOAUCGC-IEBWSBKVSA-N 0 1 297.398 2.736 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1Cl ZINC000898376563 620377884 /nfs/dbraw/zinc/37/78/84/620377884.db2.gz MXVXYPPYDMZHIL-TZMCWYRMSA-N 0 1 281.783 2.869 20 10 CFCDMN CC[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000322501215 620383831 /nfs/dbraw/zinc/38/38/31/620383831.db2.gz GEBSIHLYOSOHIW-ZDUSSCGKSA-N 0 1 257.761 2.950 20 10 CFCDMN CC[C@@](C)(C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000322523890 620384788 /nfs/dbraw/zinc/38/47/88/620384788.db2.gz MZGNZUXOGXAORY-ZDUSSCGKSA-N 0 1 257.761 2.950 20 10 CFCDMN C[C@H](C(=O)N(C)c1ccccc1)N(C)Cc1ccccc1O ZINC000111236316 620578319 /nfs/dbraw/zinc/57/83/19/620578319.db2.gz WHNDEPWGUFHAKE-CQSZACIVSA-N 0 1 298.386 2.876 20 10 CFCDMN C[C@H]([NH2+]CC1(N)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000902403764 621069745 /nfs/dbraw/zinc/06/97/45/621069745.db2.gz BBYAEUUGLAVINW-QMMMGPOBSA-N 0 1 274.286 2.553 20 10 CFCDMN CC[C@@H](NCc1csc(N)n1)c1ccccc1O ZINC000902500045 621105524 /nfs/dbraw/zinc/10/55/24/621105524.db2.gz SIYYXKXOTZFYQO-LLVKDONJSA-N 0 1 263.366 2.672 20 10 CFCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]1CO)oc1ccccc12 ZINC000902629289 621138722 /nfs/dbraw/zinc/13/87/22/621138722.db2.gz BOBHHCNNWLIFPE-GFCCVEGCSA-N 0 1 283.327 2.858 20 10 CFCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]1CO)oc1ccccc12 ZINC000902629289 621138727 /nfs/dbraw/zinc/13/87/27/621138727.db2.gz BOBHHCNNWLIFPE-GFCCVEGCSA-N 0 1 283.327 2.858 20 10 CFCDMN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000903212670 621289553 /nfs/dbraw/zinc/28/95/53/621289553.db2.gz JKRYIOBUWMJEIZ-WDEREUQCSA-N 0 1 296.798 2.565 20 10 CFCDMN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000903212667 621289613 /nfs/dbraw/zinc/28/96/13/621289613.db2.gz JKRYIOBUWMJEIZ-GHMZBOCLSA-N 0 1 296.798 2.565 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)ccc1[O-] ZINC000903318874 621320608 /nfs/dbraw/zinc/32/06/08/621320608.db2.gz UCPWNFFKEYIQMO-AAEUAGOBSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H](NCc1nncn1-c1ccccc1)c1ccccc1O ZINC000183413019 625486825 /nfs/dbraw/zinc/48/68/25/625486825.db2.gz AGOZQYCHGRRGAN-CYBMUJFWSA-N 0 1 294.358 2.824 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000157817633 623060989 /nfs/dbraw/zinc/06/09/89/623060989.db2.gz JPRVOMIVLCMHQA-IPYPFGDCSA-N 0 1 262.397 2.916 20 10 CFCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C 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CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@]1(C)CO ZINC000827691845 624065826 /nfs/dbraw/zinc/06/58/26/624065826.db2.gz CIGACNZXRAYBHV-OTYXRUKQSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c(Cl)c1 ZINC000827692473 624066103 /nfs/dbraw/zinc/06/61/03/624066103.db2.gz JGEMPJBJSLKLGU-NHYWBVRUSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c(Cl)c1 ZINC000827692473 624066104 /nfs/dbraw/zinc/06/61/04/624066104.db2.gz JGEMPJBJSLKLGU-NHYWBVRUSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1O ZINC000827960684 624140435 /nfs/dbraw/zinc/14/04/35/624140435.db2.gz VLCWGXJQZLEUQF-WFASDCNBSA-N 0 1 288.391 2.586 20 10 CFCDMN C[C@@H](NCc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000154106692 624270091 /nfs/dbraw/zinc/27/00/91/624270091.db2.gz CCNPCRIUAKWRQY-CYBMUJFWSA-N 0 1 294.358 2.824 20 10 CFCDMN COc1cc(-c2nc3ccc(F)cc3[nH]2)cc(O)c1O ZINC000916855209 624288518 /nfs/dbraw/zinc/28/85/18/624288518.db2.gz 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CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000769332435 627425806 /nfs/dbraw/zinc/42/58/06/627425806.db2.gz DRVLDLAJJVUJPV-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC(C)(C)[C@H]2C)c1 ZINC000769450967 627441109 /nfs/dbraw/zinc/44/11/09/627441109.db2.gz FDEQASHLDYMGSF-GFCCVEGCSA-N 0 1 279.380 2.790 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccsc2)cc1F ZINC000769932649 627489109 /nfs/dbraw/zinc/48/91/09/627489109.db2.gz HCNUVVQHEHDXEO-AWEZNQCLSA-N 0 1 294.395 2.776 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000769936265 627489374 /nfs/dbraw/zinc/48/93/74/627489374.db2.gz VNYDODVGQKMVSJ-GFCCVEGCSA-N 0 1 283.780 2.930 20 10 CFCDMN Cc1[nH]nc2cc(NC(=O)C3=CC(=O)CS3)ccc12 ZINC000770412442 627521020 /nfs/dbraw/zinc/52/10/20/627521020.db2.gz JWOMNGXJVZPPBW-UHFFFAOYSA-N 0 1 273.317 2.891 20 10 CFCDMN CCN(C)c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000773811862 627860690 /nfs/dbraw/zinc/86/06/90/627860690.db2.gz DAURDLMECMRNNO-KRWDZBQOSA-N 0 1 274.408 2.754 20 10 CFCDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904663 627978347 /nfs/dbraw/zinc/97/83/47/627978347.db2.gz IXRZEOWGITWREF-JQWIXIFHSA-N 0 1 294.351 2.929 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775508417 628032207 /nfs/dbraw/zinc/03/22/07/628032207.db2.gz BSWRKXPSIWCNCC-BXKDBHETSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H]([NH2+]CC[S@@](=O)CC)c1cc(Cl)ccc1[O-] ZINC000775504263 628029558 /nfs/dbraw/zinc/02/95/58/628029558.db2.gz WQXZWEZIWTZDKO-XIKOKIGWSA-N 0 1 289.828 2.855 20 10 CFCDMN CC[C@H]([NH2+]CCCC(=O)NC)c1cc(Cl)ccc1[O-] ZINC000775496004 628031536 /nfs/dbraw/zinc/03/15/36/628031536.db2.gz CXAGQKPEURYIMB-LBPRGKRZSA-N 0 1 284.787 2.613 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775508419 628032168 /nfs/dbraw/zinc/03/21/68/628032168.db2.gz BSWRKXPSIWCNCC-CABZTGNLSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H](N[C@H](C)c1nncn1C)c1cc(Cl)ccc1O ZINC000775498234 628032219 /nfs/dbraw/zinc/03/22/19/628032219.db2.gz JAUNTBRPFLHDNM-BXKDBHETSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)ccc1[O-] ZINC000775546847 628036187 /nfs/dbraw/zinc/03/61/87/628036187.db2.gz LMZLFCKKCNCRHK-DGCLKSJQSA-N 0 1 287.787 2.748 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1cc(Cl)ccc1[O-] ZINC000775551440 628036404 /nfs/dbraw/zinc/03/64/04/628036404.db2.gz MRZNEOTWWTUEIQ-RJVCPDIVSA-N 0 1 289.828 2.853 20 10 CFCDMN COc1ccc(O)c(CN2CCc3ccc(O)cc3C2)c1 ZINC000775655931 628050189 /nfs/dbraw/zinc/05/01/89/628050189.db2.gz MXEWQWKJLMGOLQ-UHFFFAOYSA-N 0 1 285.343 2.665 20 10 CFCDMN CC1(C)COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775662480 628051582 /nfs/dbraw/zinc/05/15/82/628051582.db2.gz FNUHIZCQENZVIK-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000775681196 628054906 /nfs/dbraw/zinc/05/49/06/628054906.db2.gz NNQUSCPZPTZKDM-CYBMUJFWSA-N 0 1 298.789 2.853 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000775681196 628054910 /nfs/dbraw/zinc/05/49/10/628054910.db2.gz NNQUSCPZPTZKDM-CYBMUJFWSA-N 0 1 298.789 2.853 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000775681196 628054914 /nfs/dbraw/zinc/05/49/14/628054914.db2.gz NNQUSCPZPTZKDM-CYBMUJFWSA-N 0 1 298.789 2.853 20 10 CFCDMN C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])CC[N@@H+]1C ZINC000775987033 628092223 /nfs/dbraw/zinc/09/22/23/628092223.db2.gz UATGMJUIZHKCOC-ZJUUUORDSA-N 0 1 286.778 2.709 20 10 CFCDMN Cc1cc(O)c(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000777221044 628208557 /nfs/dbraw/zinc/20/85/57/628208557.db2.gz YBSKNAWYKTWGQN-CYBMUJFWSA-N 0 1 292.423 2.744 20 10 CFCDMN CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000778405336 628305477 /nfs/dbraw/zinc/30/54/77/628305477.db2.gz OCLKSYYBEVANFQ-OAHLLOKOSA-N 0 1 297.782 2.595 20 10 CFCDMN CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000778405336 628305480 /nfs/dbraw/zinc/30/54/80/628305480.db2.gz OCLKSYYBEVANFQ-OAHLLOKOSA-N 0 1 297.782 2.595 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)c2c1c(F)ccc2[O-] ZINC000779084501 628350864 /nfs/dbraw/zinc/35/08/64/628350864.db2.gz FECHWCTUYLPMNR-CMPLNLGQSA-N 0 1 279.355 2.832 20 10 CFCDMN COc1cccc(O)c1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000779151357 628356086 /nfs/dbraw/zinc/35/60/86/628356086.db2.gz XHVHEOUDXMPKCV-PWSUYJOCSA-N 0 1 253.317 2.581 20 10 CFCDMN Cc1n[nH]c(C(F)F)c1NC(=O)C1=CC(=O)CS1 ZINC000779286018 628369287 /nfs/dbraw/zinc/36/92/87/628369287.db2.gz IKRONFUMDKCKFR-UHFFFAOYSA-N 0 1 273.264 2.675 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783541305 628719054 /nfs/dbraw/zinc/71/90/54/628719054.db2.gz GHYVDHQDPSTRRO-RWMBFGLXSA-N 0 1 279.380 2.707 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)[C@@H](C)O1 ZINC000783737919 628739883 /nfs/dbraw/zinc/73/98/83/628739883.db2.gz PWJVMAOFHKICFU-HZSPNIEDSA-N 0 1 262.397 2.750 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783737970 628739942 /nfs/dbraw/zinc/73/99/42/628739942.db2.gz RCUBKPXKHTVQFP-RWMBFGLXSA-N 0 1 279.380 2.789 20 10 CFCDMN CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000784670796 628835460 /nfs/dbraw/zinc/83/54/60/628835460.db2.gz QDQRQNSCICARQI-HDJSIYSDSA-N 0 1 279.380 2.526 20 10 CFCDMN CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000784670796 628835461 /nfs/dbraw/zinc/83/54/61/628835461.db2.gz QDQRQNSCICARQI-HDJSIYSDSA-N 0 1 279.380 2.526 20 10 CFCDMN O=C(Nc1cccc(F)c1)c1c(F)ccc(O)c1O ZINC000789939095 629198359 /nfs/dbraw/zinc/19/83/59/629198359.db2.gz KAMXZFUQOLPYPT-UHFFFAOYSA-N 0 1 265.215 2.628 20 10 CFCDMN Cc1ccc(F)c(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789946367 629199241 /nfs/dbraw/zinc/19/92/41/629199241.db2.gz GTMYJBZICSMPPX-UHFFFAOYSA-N 0 1 279.242 2.937 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790949840 629273600 /nfs/dbraw/zinc/27/36/00/629273600.db2.gz PMSWXSSICMODCV-QWHCGFSZSA-N 0 1 298.789 2.901 20 10 CFCDMN Cc1nnc(CNCc2c(O)ccc(Cl)c2F)s1 ZINC000790991310 629278062 /nfs/dbraw/zinc/27/80/62/629278062.db2.gz UOFUROBXCGBBOH-UHFFFAOYSA-N 0 1 287.747 2.634 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792173856 629406114 /nfs/dbraw/zinc/40/61/14/629406114.db2.gz DPMCGKGFLXKNHX-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN Cc1nc(CN(Cc2ccco2)Cc2ccccc2O)n[nH]1 ZINC000794410723 629644243 /nfs/dbraw/zinc/64/42/43/629644243.db2.gz FFNKIQSXNQVMAO-UHFFFAOYSA-N 0 1 298.346 2.614 20 10 CFCDMN Cc1cnc([C@H](C)N(C)Cc2ccccc2O)cn1 ZINC000794414017 629644771 /nfs/dbraw/zinc/64/47/71/629644771.db2.gz ZDCFYWAUYLVXSD-LBPRGKRZSA-N 0 1 257.337 2.684 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CSC[C@H]2C)c1[O-] ZINC000796392159 629912467 /nfs/dbraw/zinc/91/24/67/629912467.db2.gz AJTKPVUEFXGVBJ-OQPBUACISA-N 0 1 283.368 2.575 20 10 CFCDMN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000840826468 630093329 /nfs/dbraw/zinc/09/33/29/630093329.db2.gz MGQAOCFXEBYNGJ-XFBWCDHKSA-N 0 1 287.359 2.610 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000799162285 630281578 /nfs/dbraw/zinc/28/15/78/630281578.db2.gz POTRMRDLZZWRRW-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000799162285 630281581 /nfs/dbraw/zinc/28/15/81/630281581.db2.gz POTRMRDLZZWRRW-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1C ZINC000840121724 630915961 /nfs/dbraw/zinc/91/59/61/630915961.db2.gz FKUAXVWWPLEIPV-SJCJKPOMSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C ZINC000840121724 630915964 /nfs/dbraw/zinc/91/59/64/630915964.db2.gz FKUAXVWWPLEIPV-SJCJKPOMSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C ZINC000840121724 630915969 /nfs/dbraw/zinc/91/59/69/630915969.db2.gz FKUAXVWWPLEIPV-SJCJKPOMSA-N 0 1 286.375 2.797 20 10 CFCDMN Cc1ccccc1-n1cc(CNCc2ccccc2O)nn1 ZINC000808385532 630984415 /nfs/dbraw/zinc/98/44/15/630984415.db2.gz OONOZTCOCSZTNP-UHFFFAOYSA-N 0 1 294.358 2.571 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000808692706 631029737 /nfs/dbraw/zinc/02/97/37/631029737.db2.gz TXJRLXFOVDHTRF-ZJUUUORDSA-N 0 1 294.786 2.894 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CCOCC2)c(Cl)c1 ZINC000840881981 631249624 /nfs/dbraw/zinc/24/96/24/631249624.db2.gz RDRKVJMVUDUATH-UHFFFAOYSA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCSCCCO)c(Cl)c1 ZINC000840892294 631254808 /nfs/dbraw/zinc/25/48/08/631254808.db2.gz PYDMPVHAZUVTIV-UHFFFAOYSA-N 0 1 289.828 2.559 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(C)C)c(Cl)c1 ZINC000840897364 631255699 /nfs/dbraw/zinc/25/56/99/631255699.db2.gz SFAFCDXYCORIPT-AWEZNQCLSA-N 0 1 271.788 2.851 20 10 CFCDMN CSC[C@@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840897826 631255717 /nfs/dbraw/zinc/25/57/17/631255717.db2.gz BOLAUZUWDGOUCN-ZDUSSCGKSA-N 0 1 289.828 2.558 20 10 CFCDMN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896156 631255968 /nfs/dbraw/zinc/25/59/68/631255968.db2.gz FUEFLPOCJSKGEX-YGRLFVJLSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCCO)c(Cl)c1 ZINC000840905355 631257718 /nfs/dbraw/zinc/25/77/18/631257718.db2.gz RLQAFYAQEXEMSH-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN CC[N@@H+](CCOC)Cc1c(O)cc(C)cc1Cl ZINC000840910827 631260524 /nfs/dbraw/zinc/26/05/24/631260524.db2.gz SNAMFBZNEVFMEC-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CC[N@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC000840910827 631260532 /nfs/dbraw/zinc/26/05/32/631260532.db2.gz SNAMFBZNEVFMEC-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CC[N@@H+](CCOC)Cc1c([O-])cc(C)cc1Cl ZINC000840910827 631260537 /nfs/dbraw/zinc/26/05/37/631260537.db2.gz SNAMFBZNEVFMEC-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(Cl)c1 ZINC000840912251 631263242 /nfs/dbraw/zinc/26/32/42/631263242.db2.gz KJHSGVZUWMITNY-LLVKDONJSA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CC(N)=O)c(Cl)c1 ZINC000840912251 631263245 /nfs/dbraw/zinc/26/32/45/631263245.db2.gz KJHSGVZUWMITNY-LLVKDONJSA-N 0 1 296.798 2.584 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917680 631264793 /nfs/dbraw/zinc/26/47/93/631264793.db2.gz MAFQITCPKCUGDZ-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917680 631264796 /nfs/dbraw/zinc/26/47/96/631264796.db2.gz MAFQITCPKCUGDZ-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000809697839 631267143 /nfs/dbraw/zinc/26/71/43/631267143.db2.gz PSTOFDNWGUTLRV-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCCCCO)c(Cl)c1 ZINC000840937660 631270941 /nfs/dbraw/zinc/27/09/41/631270941.db2.gz VROZCXZNJQPDJP-UHFFFAOYSA-N 0 1 271.788 2.996 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2cccc(C)c2O)n1 ZINC000809721083 631271182 /nfs/dbraw/zinc/27/11/82/631271182.db2.gz MCPROEIYQQPOHX-ZDUSSCGKSA-N 0 1 273.336 2.729 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)C[C@H](O)C(F)(F)F)c1O ZINC000809750960 631279392 /nfs/dbraw/zinc/27/93/92/631279392.db2.gz KNDPCDWXLSVHLZ-JTQLQIEISA-N 0 1 297.704 2.709 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H](C3CCC3)C2)c1O ZINC000840955430 631283338 /nfs/dbraw/zinc/28/33/38/631283338.db2.gz UVYHFHULFIJYRR-MRXNPFEDSA-N 0 1 291.391 2.792 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1F ZINC000840999520 631299051 /nfs/dbraw/zinc/29/90/51/631299051.db2.gz YHKGSBJHIVGYDF-LBPRGKRZSA-N 0 1 296.386 2.824 20 10 CFCDMN CC(C)[C@H](N)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841028904 631307582 /nfs/dbraw/zinc/30/75/82/631307582.db2.gz KTQMURKVSCNQGI-LLVKDONJSA-N 0 1 277.195 2.772 20 10 CFCDMN NC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000841051463 631322776 /nfs/dbraw/zinc/32/27/76/631322776.db2.gz QOXZSDLOAGECMR-UHFFFAOYSA-N 0 1 275.179 2.670 20 10 CFCDMN CC[C@H]([NH2+]CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208093 631344480 /nfs/dbraw/zinc/34/44/80/631344480.db2.gz SDGNWCDHULDYTL-NSHDSACASA-N 0 1 277.286 2.834 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841746894 631464215 /nfs/dbraw/zinc/46/42/15/631464215.db2.gz MCIAYEWVCIGJAH-ZJUUUORDSA-N 0 1 298.814 2.999 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ncn1 ZINC000841751989 631465329 /nfs/dbraw/zinc/46/53/29/631465329.db2.gz PSZWXQMZWVZWGM-JTQLQIEISA-N 0 1 277.755 2.995 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841757361 631468190 /nfs/dbraw/zinc/46/81/90/631468190.db2.gz NRHONDPKVKQJJA-KOLCDFICSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000841762774 631469297 /nfs/dbraw/zinc/46/92/97/631469297.db2.gz LEKXVKLGZSXRSE-JTQLQIEISA-N 0 1 268.788 2.790 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H](C)OC ZINC000812301233 631686823 /nfs/dbraw/zinc/68/68/23/631686823.db2.gz DKOLXAMNAYKKOQ-LBPRGKRZSA-N 0 1 274.364 2.797 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H](C)OC ZINC000812301233 631686826 /nfs/dbraw/zinc/68/68/26/631686826.db2.gz DKOLXAMNAYKKOQ-LBPRGKRZSA-N 0 1 274.364 2.797 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000842908742 631780599 /nfs/dbraw/zinc/78/05/99/631780599.db2.gz COYSTOWKSJHQFR-YRGRVCCFSA-N 0 1 285.771 2.500 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044666 631812014 /nfs/dbraw/zinc/81/20/14/631812014.db2.gz DXSDLNGZAVBTFU-UHFFFAOYSA-N 0 1 289.206 2.883 20 10 CFCDMN Cc1cc(Cl)cc(CNCc2ccno2)c1O ZINC000843402787 631945654 /nfs/dbraw/zinc/94/56/54/631945654.db2.gz NKSGTVHWYSUQCG-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417312 631949203 /nfs/dbraw/zinc/94/92/03/631949203.db2.gz APWLYTUTJSIEAV-CQSZACIVSA-N 0 1 299.823 2.754 20 10 CFCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C)C1 ZINC000843421997 631951350 /nfs/dbraw/zinc/95/13/50/631951350.db2.gz JYYPFTXIDWQHOC-CYBMUJFWSA-N 0 1 282.815 2.962 20 10 CFCDMN COc1cccc(O)c1CN1C[C@@H](C)OC2(CCC2)C1 ZINC000843435482 631959550 /nfs/dbraw/zinc/95/95/50/631959550.db2.gz ORCLLFNGLHDAHY-GFCCVEGCSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C1CC1 ZINC000105488019 632166414 /nfs/dbraw/zinc/16/64/14/632166414.db2.gz JLKKOBJETUFQIC-SNVBAGLBSA-N 0 1 268.788 2.618 20 10 CFCDMN CCn1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000815049394 632192340 /nfs/dbraw/zinc/19/23/40/632192340.db2.gz ZTTKQYFQMGTNQL-UHFFFAOYSA-N 0 1 286.423 2.909 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cc(C)no2)cc1 ZINC000844398831 632195287 /nfs/dbraw/zinc/19/52/87/632195287.db2.gz DBNIDNKIQLQDDJ-UHFFFAOYSA-N 0 1 289.379 2.560 20 10 CFCDMN Cc1cc(CN2CCOCC23CCC3)ccc1N(C)C ZINC000815074033 632196178 /nfs/dbraw/zinc/19/61/78/632196178.db2.gz GGZVCBZCNPDCHP-UHFFFAOYSA-N 0 1 274.408 2.816 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844752693 632298121 /nfs/dbraw/zinc/29/81/21/632298121.db2.gz JHKBJFLABBBUPB-BETUJISGSA-N 0 1 276.286 2.637 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844752693 632298124 /nfs/dbraw/zinc/29/81/24/632298124.db2.gz JHKBJFLABBBUPB-BETUJISGSA-N 0 1 276.286 2.637 20 10 CFCDMN C[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816483484 632468897 /nfs/dbraw/zinc/46/88/97/632468897.db2.gz ULBYPGYWTRYQFL-LBPRGKRZSA-N 0 1 257.333 2.766 20 10 CFCDMN CC[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816493337 632469922 /nfs/dbraw/zinc/46/99/22/632469922.db2.gz XJQFXUFFLSXFJG-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000816504442 632473981 /nfs/dbraw/zinc/47/39/81/632473981.db2.gz NFFGJCVHUYHPHF-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN C[C@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816519183 632478252 /nfs/dbraw/zinc/47/82/52/632478252.db2.gz BEXKYJWZOBHZAB-INIZCTEOSA-N 0 1 257.333 2.502 20 10 CFCDMN C[C@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816519183 632478255 /nfs/dbraw/zinc/47/82/55/632478255.db2.gz BEXKYJWZOBHZAB-INIZCTEOSA-N 0 1 257.333 2.502 20 10 CFCDMN CN(C)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528717 632479269 /nfs/dbraw/zinc/47/92/69/632479269.db2.gz PGASTWMWMXOEBF-UHFFFAOYSA-N 0 1 272.392 2.975 20 10 CFCDMN CN1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542677 632480780 /nfs/dbraw/zinc/48/07/80/632480780.db2.gz XSYVUWHYLWYFOF-OAHLLOKOSA-N 0 1 270.376 2.729 20 10 CFCDMN CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552157 632482695 /nfs/dbraw/zinc/48/26/95/632482695.db2.gz CKRDZOCVHYJLAG-NHYWBVRUSA-N 0 1 291.416 2.747 20 10 CFCDMN CC[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552876 632482936 /nfs/dbraw/zinc/48/29/36/632482936.db2.gz ZZNTYZDBKGWQMO-AWEZNQCLSA-N 0 1 259.349 2.796 20 10 CFCDMN Oc1c(C[N@H+]2CCCC3(C2)OCCO3)ccc2ccccc21 ZINC000816565321 632485203 /nfs/dbraw/zinc/48/52/03/632485203.db2.gz KYBDJXYLDDKZQU-UHFFFAOYSA-N 0 1 299.370 2.884 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCC3(C2)OCCO3)ccc2ccccc21 ZINC000816565321 632485207 /nfs/dbraw/zinc/48/52/07/632485207.db2.gz KYBDJXYLDDKZQU-UHFFFAOYSA-N 0 1 299.370 2.884 20 10 CFCDMN [O-]c1c(C[N@H+]2CCCC3(C2)OCCO3)ccc2ccccc21 ZINC000816565321 632485212 /nfs/dbraw/zinc/48/52/12/632485212.db2.gz KYBDJXYLDDKZQU-UHFFFAOYSA-N 0 1 299.370 2.884 20 10 CFCDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571721 632488011 /nfs/dbraw/zinc/48/80/11/632488011.db2.gz NTKIVWSRVKEYAA-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816568884 632488036 /nfs/dbraw/zinc/48/80/36/632488036.db2.gz SDXAEOIGJXIWCU-ZDUSSCGKSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587000 632489832 /nfs/dbraw/zinc/48/98/32/632489832.db2.gz ZWMFSPUXOPBKMJ-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN Cc1noc([C@H](C)NCc2cc(Cl)c(F)cc2O)n1 ZINC000816591155 632491921 /nfs/dbraw/zinc/49/19/21/632491921.db2.gz WKUOUJOENAAGPY-LURJTMIESA-N 0 1 285.706 2.727 20 10 CFCDMN C[S@](=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816599229 632492071 /nfs/dbraw/zinc/49/20/71/632492071.db2.gz GSLVEUBIRCBRFV-FQEVSTJZSA-N 0 1 289.400 2.546 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630366 632497476 /nfs/dbraw/zinc/49/74/76/632497476.db2.gz BMZPPEXSEPDIQY-CYBMUJFWSA-N 0 1 281.783 2.925 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816665768 632508835 /nfs/dbraw/zinc/50/88/35/632508835.db2.gz TYSWPVLUBKNABX-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN CCOc1ccc(CN2C[C@H](CC)OC[C@H]2C)c(O)c1 ZINC000846043845 632622597 /nfs/dbraw/zinc/62/25/97/632622597.db2.gz NCJGIOQRWLTOOL-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412654 632624846 /nfs/dbraw/zinc/62/48/46/632624846.db2.gz NRLHPWXRVATEFX-ZJUUUORDSA-N 0 1 287.762 2.635 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](C)OCC23CCC3)c(O)c1 ZINC000846066958 632627147 /nfs/dbraw/zinc/62/71/47/632627147.db2.gz KAZAZBCKJJFUQG-CYBMUJFWSA-N 0 1 291.391 2.934 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)ccc2O)C2(CCC2)CO1 ZINC000846067870 632628133 /nfs/dbraw/zinc/62/81/33/632628133.db2.gz ZMMQCIWVGLYXOD-NSHDSACASA-N 0 1 265.328 2.675 20 10 CFCDMN COc1ccc(O)c(CN2C[C@@H](C)OCC23CCC3)c1 ZINC000846067871 632628703 /nfs/dbraw/zinc/62/87/03/632628703.db2.gz ZNPDNNWHKACGSP-GFCCVEGCSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846109496 632633212 /nfs/dbraw/zinc/63/32/12/632633212.db2.gz DZGMIANZRGGJRQ-MRVPVSSYSA-N 0 1 278.179 2.902 20 10 CFCDMN COc1cccc([C@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000846168020 632651868 /nfs/dbraw/zinc/65/18/68/632651868.db2.gz GBNCYOMENRGUBA-WDEREUQCSA-N 0 1 275.352 2.546 20 10 CFCDMN C[NH2+]CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817951612 632752007 /nfs/dbraw/zinc/75/20/07/632752007.db2.gz HJRCLYHNSZDNDQ-SSDOTTSWSA-N 0 1 263.168 2.569 20 10 CFCDMN CC[NH2+]CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817951389 632752042 /nfs/dbraw/zinc/75/20/42/632752042.db2.gz DYEHFKIYGWZAPX-QMMMGPOBSA-N 0 1 277.195 2.959 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Cl)c1[O-] ZINC000817964751 632763251 /nfs/dbraw/zinc/76/32/51/632763251.db2.gz GWDNPLNEKULLFL-CHWSQXEVSA-N 0 1 268.788 2.824 20 10 CFCDMN CCn1nc(C)c(CN[C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000818344429 632833361 /nfs/dbraw/zinc/83/33/61/632833361.db2.gz CQPDDPUVBFKHFW-CYBMUJFWSA-N 0 1 288.395 2.780 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631591 632885002 /nfs/dbraw/zinc/88/50/02/632885002.db2.gz KDRXXAHJKKZZJC-NHYWBVRUSA-N 0 1 294.370 2.577 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000848568043 633291133 /nfs/dbraw/zinc/29/11/33/633291133.db2.gz WSRQOABYIPUFMX-HOTGVXAUSA-N 0 1 289.762 2.794 20 10 CFCDMN CCc1cccc(CN2CC[C@@H](C)C[C@@H]2C(=O)OC)c1O ZINC000848904611 633391235 /nfs/dbraw/zinc/39/12/35/633391235.db2.gz YFZQRYHREDPKNF-IUODEOHRSA-N 0 1 291.391 2.728 20 10 CFCDMN CCc1cccc(CN([C@H](C)C(=O)OC)C2CCC2)c1O ZINC000848906517 633392972 /nfs/dbraw/zinc/39/29/72/633392972.db2.gz VTLFOUNFICSJQL-GFCCVEGCSA-N 0 1 291.391 2.871 20 10 CFCDMN CCc1cccc(CNCc2ccc(C(=O)OC)o2)c1O ZINC000848909979 633395150 /nfs/dbraw/zinc/39/51/50/633395150.db2.gz DCFRWWTXGQBQTF-UHFFFAOYSA-N 0 1 289.331 2.624 20 10 CFCDMN CCc1cccc(CNCc2ncccc2OC)c1O ZINC000848914367 633398907 /nfs/dbraw/zinc/39/89/07/633398907.db2.gz IIUMIQGRRITMLU-UHFFFAOYSA-N 0 1 272.348 2.648 20 10 CFCDMN Cc1noc([C@@H](C)N(C)Cc2cccc(Cl)c2O)n1 ZINC000848926035 633408519 /nfs/dbraw/zinc/40/85/19/633408519.db2.gz PZFAICAKTRIAPA-MRVPVSSYSA-N 0 1 281.743 2.930 20 10 CFCDMN Cc1noc(CN(C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000848927229 633409748 /nfs/dbraw/zinc/40/97/48/633409748.db2.gz CKQCUBSBVUEWFG-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000850486250 634014640 /nfs/dbraw/zinc/01/46/40/634014640.db2.gz AAEXMGISEJILKJ-TVQRCGJNSA-N 0 1 269.772 2.857 20 10 CFCDMN COC[C@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000850485965 634014765 /nfs/dbraw/zinc/01/47/65/634014765.db2.gz PAJHAOPHQVNXLS-PWSUYJOCSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850546872 634047119 /nfs/dbraw/zinc/04/71/19/634047119.db2.gz PNWZTUIPOJGVAK-QCZZGDTMSA-N 0 1 281.783 3.000 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850570417 634056241 /nfs/dbraw/zinc/05/62/41/634056241.db2.gz GZEBEMHJKDVXQZ-WQHBLYJGSA-N 0 1 255.745 2.874 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nccn2C)c1 ZINC000850572816 634057332 /nfs/dbraw/zinc/05/73/32/634057332.db2.gz PMQDZXVJHDHOJS-GHMZBOCLSA-N 0 1 275.352 2.546 20 10 CFCDMN CNC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231106 635264524 /nfs/dbraw/zinc/26/45/24/635264524.db2.gz DUEOLSYEIBXTRW-JGVFFNPUSA-N 0 1 277.195 2.958 20 10 CFCDMN CCCCOCCNCc1cc(F)c(N(C)C)cc1F ZINC000858115477 636132007 /nfs/dbraw/zinc/13/20/07/636132007.db2.gz HOLADFDDSZCXGS-UHFFFAOYSA-N 0 1 286.366 2.937 20 10 CFCDMN CCC(F)(F)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858506675 636275792 /nfs/dbraw/zinc/27/57/92/636275792.db2.gz ILHPHMFJROPYJE-QMMMGPOBSA-N 0 1 274.267 2.996 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cc(Cl)n(C)n2)c1 ZINC000859232105 636518160 /nfs/dbraw/zinc/51/81/60/636518160.db2.gz FHXWCPARZAKKQI-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@@H](O)C[C@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862246204 637296830 /nfs/dbraw/zinc/29/68/30/637296830.db2.gz CDCQXKTYVGZYJV-DGCLKSJQSA-N 0 1 298.377 2.766 20 10 CFCDMN COC(C)(C)CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862252171 637302510 /nfs/dbraw/zinc/30/25/10/637302510.db2.gz SALGODIPRLKDGN-UHFFFAOYSA-N 0 1 286.366 2.888 20 10 CFCDMN Oc1cccc(Br)c1CN1CC=CCC1 ZINC000862299544 637318306 /nfs/dbraw/zinc/31/83/06/637318306.db2.gz CULSKWLYQDFFIH-UHFFFAOYSA-N 0 1 268.154 2.917 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC=CCC1 ZINC000862299544 637318311 /nfs/dbraw/zinc/31/83/11/637318311.db2.gz CULSKWLYQDFFIH-UHFFFAOYSA-N 0 1 268.154 2.917 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC=CCC1 ZINC000862299544 637318319 /nfs/dbraw/zinc/31/83/19/637318319.db2.gz CULSKWLYQDFFIH-UHFFFAOYSA-N 0 1 268.154 2.917 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)[C@@H]2CCCOC2)cc1F ZINC000862363354 637335346 /nfs/dbraw/zinc/33/53/46/637335346.db2.gz NLMNGRZEIBKMNR-GFCCVEGCSA-N 0 1 284.350 2.642 20 10 CFCDMN COC[C@]1(C)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862383045 637348420 /nfs/dbraw/zinc/34/84/20/637348420.db2.gz IMBQVKQGLSTORS-MRXNPFEDSA-N 0 1 298.377 2.889 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000862418670 637371238 /nfs/dbraw/zinc/37/12/38/637371238.db2.gz KLYWZMJMYOZCML-NXEZZACHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000862418670 637371242 /nfs/dbraw/zinc/37/12/42/637371242.db2.gz KLYWZMJMYOZCML-NXEZZACHSA-N 0 1 282.181 2.997 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)c(Cl)c1 ZINC000862479685 637397257 /nfs/dbraw/zinc/39/72/57/637397257.db2.gz XOYTZYHSWZUABV-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(C)COC2)c(Cl)c1 ZINC000862479685 637397259 /nfs/dbraw/zinc/39/72/59/637397259.db2.gz XOYTZYHSWZUABV-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Cl ZINC000862528731 637407241 /nfs/dbraw/zinc/40/72/41/637407241.db2.gz HSBNYOHMNBNTOC-XJKSGUPXSA-N 0 1 295.810 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Cl ZINC000862528731 637407246 /nfs/dbraw/zinc/40/72/46/637407246.db2.gz HSBNYOHMNBNTOC-XJKSGUPXSA-N 0 1 295.810 2.948 20 10 CFCDMN Cc1cc(O)c(CN2CCO[C@H](CCF)C2)cc1C ZINC000862530522 637410697 /nfs/dbraw/zinc/41/06/97/637410697.db2.gz ODQPUVPLDUWSMJ-CQSZACIVSA-N 0 1 267.344 2.569 20 10 CFCDMN CC[C@H](N[C@@H](C)c1nnnn1C1CC1)c1ccccc1O ZINC000189112356 650361270 /nfs/dbraw/zinc/36/12/70/650361270.db2.gz PBIKLNSNCHTGBX-GWCFXTLKSA-N 0 1 287.367 2.516 20 10 CFCDMN CN1CCCc2cc(CNCc3cn(C4CC4)cn3)ccc21 ZINC000865437376 638333544 /nfs/dbraw/zinc/33/35/44/638333544.db2.gz JPNVFBIGZAKAGW-UHFFFAOYSA-N 0 1 296.418 2.890 20 10 CFCDMN COc1cncc(CNCc2ccc3c(c2)CCO3)c1C ZINC000865440212 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257.786 2.983 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000131378988 645716382 /nfs/dbraw/zinc/71/63/82/645716382.db2.gz LYXAAFWUOGOKNV-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000131378988 645716385 /nfs/dbraw/zinc/71/63/85/645716385.db2.gz LYXAAFWUOGOKNV-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000883354978 645759792 /nfs/dbraw/zinc/75/97/92/645759792.db2.gz GCQWFRMRPVFOQU-PWSUYJOCSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883399113 645795758 /nfs/dbraw/zinc/79/57/58/645795758.db2.gz DUDHUOFURABEIV-RNFRBKRXSA-N 0 1 260.240 2.605 20 10 CFCDMN Oc1ccccc1CNCc1cn2cc(Cl)ccc2n1 ZINC000134226324 646308289 /nfs/dbraw/zinc/30/82/89/646308289.db2.gz UGKFMWBPSBVPOQ-UHFFFAOYSA-N 0 1 287.750 2.983 20 10 CFCDMN Oc1ccccc1CNCc1ccn(-c2ccccc2)n1 ZINC000134230110 646308924 /nfs/dbraw/zinc/30/89/24/646308924.db2.gz 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ZINC000403899979 770920371 /nfs/dbraw/zinc/92/03/71/770920371.db2.gz ZZKPVHPVXAMROF-ZDUSSCGKSA-N 0 1 267.344 2.921 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140583053 770960991 /nfs/dbraw/zinc/96/09/91/770960991.db2.gz VCOGWQITCSBFTH-VIFPVBQESA-N 0 1 259.271 2.994 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@H](F)C1 ZINC001140583053 770960997 /nfs/dbraw/zinc/96/09/97/770960997.db2.gz VCOGWQITCSBFTH-VIFPVBQESA-N 0 1 259.271 2.994 20 10 CFCDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000398707225 776437050 /nfs/dbraw/zinc/43/70/50/776437050.db2.gz BLWHVQGEBYMVHI-VHSXEESVSA-N 0 1 283.755 2.588 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1SCCS1 ZINC000692876046 776470150 /nfs/dbraw/zinc/47/01/50/776470150.db2.gz ZUVPFKNJPGHUSF-UHFFFAOYSA-N 0 1 275.826 2.941 20 10 CFCDMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])sn1 ZINC000399193028 776516734 /nfs/dbraw/zinc/51/67/34/776516734.db2.gz ZKRPCLLTCDSZDM-UHFFFAOYSA-N 0 1 284.768 2.801 20 10 CFCDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446164 777221234 /nfs/dbraw/zinc/22/12/34/777221234.db2.gz FENYSKCNZDXATC-OAHLLOKOSA-N 0 1 281.327 2.805 20 10 CFCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CC(F)(F)C1 ZINC001231453057 777223430 /nfs/dbraw/zinc/22/34/30/777223430.db2.gz DUOMSEYPAPJVJP-UHFFFAOYSA-N 0 1 285.290 2.568 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCc3ccsc3C2)c(O)c1 ZINC001231452126 777224265 /nfs/dbraw/zinc/22/42/65/777224265.db2.gz DZQXCKGPVSBVDZ-UHFFFAOYSA-N 0 1 289.356 2.710 20 10 CFCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(C(=O)[O-])ccc1O ZINC001231564904 777260555 /nfs/dbraw/zinc/26/05/55/777260555.db2.gz JSLXNWGRWNLEDI-UHFFFAOYSA-N 0 1 286.331 2.508 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCc3sccc3C2)c1 ZINC001231563862 777261144 /nfs/dbraw/zinc/26/11/44/777261144.db2.gz RZTODSPXOWVQCG-UHFFFAOYSA-N 0 1 289.356 2.710 20 10 CFCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231563509 777261284 /nfs/dbraw/zinc/26/12/84/777261284.db2.gz BXHJTCQIOOHWFZ-ZDUSSCGKSA-N 0 1 263.337 2.855 20 10 CFCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001231590558 777270722 /nfs/dbraw/zinc/27/07/22/777270722.db2.gz HJAOWFLFPNZBFP-SUMWQHHRSA-N 0 1 269.344 2.766 20 10 CFCDMN COCC[N@@H+](Cc1ccc(N(C)C)cc1OC)C(C)C ZINC001231853237 777351651 /nfs/dbraw/zinc/35/16/51/777351651.db2.gz UKONHBLNGYCRJQ-UHFFFAOYSA-N 0 1 280.412 2.618 20 10 CFCDMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231852872 777352744 /nfs/dbraw/zinc/35/27/44/777352744.db2.gz BXYDQFYZWGRUIF-MRXNPFEDSA-N 0 1 292.423 2.762 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CO)cc1Cl ZINC001231869307 777359667 /nfs/dbraw/zinc/35/96/67/777359667.db2.gz PYPSDGPUFPJFKT-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CO)cc1Cl ZINC001231869307 777359674 /nfs/dbraw/zinc/35/96/74/777359674.db2.gz PYPSDGPUFPJFKT-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001231869288 777359780 /nfs/dbraw/zinc/35/97/80/777359780.db2.gz PFGICNYQLFRWIL-IINYFYTJSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001231869288 777359781 /nfs/dbraw/zinc/35/97/81/777359781.db2.gz PFGICNYQLFRWIL-IINYFYTJSA-N 0 1 283.799 2.947 20 10 CFCDMN COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231869436 777359903 /nfs/dbraw/zinc/35/99/03/777359903.db2.gz QRHIHGNRGPJFLS-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN COC[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231869436 777359905 /nfs/dbraw/zinc/35/99/05/777359905.db2.gz QRHIHGNRGPJFLS-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN C[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879861 777362255 /nfs/dbraw/zinc/36/22/55/777362255.db2.gz SHENNNMVKHZPTB-KRWDZBQOSA-N 0 1 271.360 2.750 20 10 CFCDMN C[C@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879861 777362259 /nfs/dbraw/zinc/36/22/59/777362259.db2.gz SHENNNMVKHZPTB-KRWDZBQOSA-N 0 1 271.360 2.750 20 10 CFCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912541 777380379 /nfs/dbraw/zinc/38/03/79/777380379.db2.gz MEJCVNRRBKXWFP-NSHDSACASA-N 0 1 267.756 2.847 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC2(C1)CCCCO2 ZINC001231911021 777380663 /nfs/dbraw/zinc/38/06/63/777380663.db2.gz YXNLTYOWTRVZKY-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001231914400 777382732 /nfs/dbraw/zinc/38/27/32/777382732.db2.gz LARKMZCWWJHRPK-LBPRGKRZSA-N 0 1 297.782 2.773 20 10 CFCDMN C[C@@H]1CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195739 777467861 /nfs/dbraw/zinc/46/78/61/777467861.db2.gz YBCNSVGXJVCMEG-GFCCVEGCSA-N 0 1 280.799 2.771 20 10 CFCDMN Oc1cc(O)c(CN2CC3(CCC3)C2)cc1Cl ZINC001232260546 777496039 /nfs/dbraw/zinc/49/60/39/777496039.db2.gz RMBRCQHXMMASJQ-UHFFFAOYSA-N 0 1 253.729 2.737 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CCCC3(COC3)C2)cc1Cl ZINC001232263998 777497880 /nfs/dbraw/zinc/49/78/80/777497880.db2.gz BYPXNGOQFACGBA-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCCC3(COC3)C2)cc1Cl ZINC001232263998 777497883 /nfs/dbraw/zinc/49/78/83/777497883.db2.gz BYPXNGOQFACGBA-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCCC3(COC3)C2)cc1Cl ZINC001232263998 777497884 /nfs/dbraw/zinc/49/78/84/777497884.db2.gz BYPXNGOQFACGBA-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC001232266655 777499021 /nfs/dbraw/zinc/49/90/21/777499021.db2.gz QQANLBYVSZSQAS-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC001232266655 777499024 /nfs/dbraw/zinc/49/90/24/777499024.db2.gz QQANLBYVSZSQAS-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)C2CCOCC2)cc1Cl ZINC001232267167 777499141 /nfs/dbraw/zinc/49/91/41/777499141.db2.gz YQWKHHVFRPLFOJ-UHFFFAOYSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)C2CCOCC2)cc1Cl ZINC001232267167 777499147 /nfs/dbraw/zinc/49/91/47/777499147.db2.gz YQWKHHVFRPLFOJ-UHFFFAOYSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC001232266160 777499337 /nfs/dbraw/zinc/49/93/37/777499337.db2.gz JLEFLTQKNSTEIO-VIFPVBQESA-N 0 1 255.745 2.896 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)cc1Cl ZINC001232266160 777499340 /nfs/dbraw/zinc/49/93/40/777499340.db2.gz JLEFLTQKNSTEIO-VIFPVBQESA-N 0 1 255.745 2.896 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Cl ZINC001232267844 777500039 /nfs/dbraw/zinc/50/00/39/777500039.db2.gz IDJPAGIYMLXUED-XDMRBOTDSA-N 0 1 297.782 2.521 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1Cl ZINC001232267844 777500044 /nfs/dbraw/zinc/50/00/44/777500044.db2.gz IDJPAGIYMLXUED-XDMRBOTDSA-N 0 1 297.782 2.521 20 10 CFCDMN Oc1cc(CN2CCC3(CC[C@H](F)C3)CC2)cc(O)c1O ZINC001233017546 777766454 /nfs/dbraw/zinc/76/64/54/777766454.db2.gz XDJBMFZKPRXZQC-LBPRGKRZSA-N 0 1 295.354 2.908 20 10 CFCDMN Oc1cc(Br)cc(F)c1CN1CCCCO1 ZINC001233027196 777769478 /nfs/dbraw/zinc/76/94/78/777769478.db2.gz MNNPNGBMHHEDOJ-UHFFFAOYSA-N 0 1 290.132 2.821 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc(F)c1F ZINC001233076878 777789486 /nfs/dbraw/zinc/78/94/86/777789486.db2.gz WSCLKNHKXSUSKZ-OAHLLOKOSA-N 0 1 283.318 2.815 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC[C@]1(C)O ZINC001233076928 777789800 /nfs/dbraw/zinc/78/98/00/777789800.db2.gz YANXMLFXEUZDNR-BONVTDFDSA-N 0 1 285.334 2.653 20 10 CFCDMN CC(C)(C)c1ccc(O)c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC001233283950 777865243 /nfs/dbraw/zinc/86/52/43/777865243.db2.gz BVNKLHZNBGVFCU-KGLIPLIRSA-N 0 1 281.371 2.594 20 10 CFCDMN Cn1cnc2c1C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233286929 777867868 /nfs/dbraw/zinc/86/78/68/777867868.db2.gz OYDRZFREMIZQMZ-UHFFFAOYSA-N 0 1 299.418 2.982 20 10 CFCDMN Cn1cnc2c1CN(Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233286929 777867878 /nfs/dbraw/zinc/86/78/78/777867878.db2.gz OYDRZFREMIZQMZ-UHFFFAOYSA-N 0 1 299.418 2.982 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](CCCO)C(C)C)c1O ZINC001233289829 777870001 /nfs/dbraw/zinc/87/00/01/777870001.db2.gz QUWOPQHASNYDSI-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](CCCO)C(C)C)c1[O-] ZINC001233289829 777870013 /nfs/dbraw/zinc/87/00/13/777870013.db2.gz QUWOPQHASNYDSI-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](CCCO)C(C)C)c1[O-] ZINC001233289829 777870025 /nfs/dbraw/zinc/87/00/25/777870025.db2.gz QUWOPQHASNYDSI-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001233332540 777891431 /nfs/dbraw/zinc/89/14/31/777891431.db2.gz OOBGSEDNSWMOJG-HNNXBMFYSA-N 0 1 283.318 2.815 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)CC[C@@]1(C)O ZINC001233332461 777891598 /nfs/dbraw/zinc/89/15/98/777891598.db2.gz LWTRFBYDXMNRTN-MEBBXXQBSA-N 0 1 285.334 2.653 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)[C@@H](C)C1 ZINC001233336512 777897441 /nfs/dbraw/zinc/89/74/41/777897441.db2.gz OKLSSJJEWQHVTE-VHSXEESVSA-N 0 1 271.307 2.670 20 10 CFCDMN Oc1cc(C(F)(F)F)ccc1CN1CC[C@H](F)C1 ZINC001233452279 777957860 /nfs/dbraw/zinc/95/78/60/777957860.db2.gz QHRGIPMWLUMLLB-JTQLQIEISA-N 0 1 263.234 2.955 20 10 CFCDMN CN(Cc1ccncn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233455757 777959619 /nfs/dbraw/zinc/95/96/19/777959619.db2.gz XHDYHFGHLZADDT-UHFFFAOYSA-N 0 1 297.280 2.833 20 10 CFCDMN CC(=O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233455526 777959773 /nfs/dbraw/zinc/95/97/73/777959773.db2.gz OOAUSQJZYOVBNR-LBPRGKRZSA-N 0 1 287.281 2.964 20 10 CFCDMN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452334 777960065 /nfs/dbraw/zinc/96/00/65/777960065.db2.gz SEIYLNVGJKWMQA-KOLCDFICSA-N 0 1 289.297 2.614 20 10 CFCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452334 777960070 /nfs/dbraw/zinc/96/00/70/777960070.db2.gz SEIYLNVGJKWMQA-KOLCDFICSA-N 0 1 289.297 2.614 20 10 CFCDMN Cc1cccc2c1CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483163 777961413 /nfs/dbraw/zinc/96/14/13/777961413.db2.gz PLINIWUJHBRIGD-UHFFFAOYSA-N 0 1 285.343 2.670 20 10 CFCDMN OC[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993456 778346826 /nfs/dbraw/zinc/34/68/26/778346826.db2.gz CTVNXIFXJOWAGN-CQSZACIVSA-N 0 1 283.371 2.873 20 10 CFCDMN CN(C)C(=O)CN(C)Cc1cccc(-c2ccccc2)c1O ZINC001234996137 778348601 /nfs/dbraw/zinc/34/86/01/778348601.db2.gz VPAPZCZJBZRGQS-UHFFFAOYSA-N 0 1 298.386 2.579 20 10 CFCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001235056616 778368627 /nfs/dbraw/zinc/36/86/27/778368627.db2.gz BKAABLHOQHNMRV-UHFFFAOYSA-N 0 1 274.133 2.888 20 10 CFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001142527202 778401726 /nfs/dbraw/zinc/40/17/26/778401726.db2.gz ODVIGBJDCHKFSU-HGNGGELXSA-N 0 1 257.255 2.603 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235300097 778449795 /nfs/dbraw/zinc/44/97/95/778449795.db2.gz BUASVARTKJPUFA-QWRGUYRKSA-N 0 1 287.190 2.635 20 10 CFCDMN CC(C)(C)c1cccc(CN2CC[C@@H](N)C(F)(F)C2)c1O ZINC001235914823 778607957 /nfs/dbraw/zinc/60/79/57/778607957.db2.gz MJERNNBGVNWODD-CYBMUJFWSA-N 0 1 298.377 2.858 20 10 CFCDMN [NH3+][C@@]12CC[C@@H]1CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001235995030 778646166 /nfs/dbraw/zinc/64/61/66/778646166.db2.gz UYWACBHNCWAMBP-AMIZOPFISA-N 0 1 287.190 2.622 20 10 CFCDMN CCN(Cc1c([O-])cc(OC)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236011222 778654268 /nfs/dbraw/zinc/65/42/68/778654268.db2.gz VTUVDEGNCSIQCG-LLVKDONJSA-N 0 1 298.814 2.628 20 10 CFCDMN C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)[C@@H](C)C[NH2+]1 ZINC001236078279 778683072 /nfs/dbraw/zinc/68/30/72/778683072.db2.gz ARVKTMWPVQUGIZ-IUCAKERBSA-N 0 1 289.206 2.881 20 10 CFCDMN CC(C)N(Cc1cc(F)c(Cl)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236527050 778862148 /nfs/dbraw/zinc/86/21/48/778862148.db2.gz GFQZNLZJVJPGGS-NSHDSACASA-N 0 1 286.778 2.757 20 10 CFCDMN CCC[N@H+](CCOC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232266797 778915336 /nfs/dbraw/zinc/91/53/36/778915336.db2.gz ZBXCPRNTPWUJSO-UHFFFAOYSA-N 0 1 287.787 2.913 20 10 CFCDMN CCC[N@@H+](CCOC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232266797 778915345 /nfs/dbraw/zinc/91/53/45/778915345.db2.gz 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/nfs/dbraw/zinc/22/46/18/781224618.db2.gz NAQSQNSRHOYEST-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707142889 781224622 /nfs/dbraw/zinc/22/46/22/781224622.db2.gz NAQSQNSRHOYEST-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN CO[C@@H](C)CN(C)Cc1c(O)cccc1Br ZINC000707142889 781224625 /nfs/dbraw/zinc/22/46/25/781224625.db2.gz NAQSQNSRHOYEST-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708414790 781273044 /nfs/dbraw/zinc/27/30/44/781273044.db2.gz SPCYTRKUJWBVTI-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000708434046 781274594 /nfs/dbraw/zinc/27/45/94/781274594.db2.gz NPSDOXWVGOKWKC-ZJUUUORDSA-N 0 1 271.307 2.670 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711492941 781445169 /nfs/dbraw/zinc/44/51/69/781445169.db2.gz VPHNEYAYGCJNHW-VIFPVBQESA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711492941 781445175 /nfs/dbraw/zinc/44/51/75/781445175.db2.gz VPHNEYAYGCJNHW-VIFPVBQESA-N 0 1 288.160 2.946 20 10 CFCDMN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(N)cc1 ZINC001120262801 781929516 /nfs/dbraw/zinc/92/95/16/781929516.db2.gz DPHOSTUSFMHYTN-UHFFFAOYSA-N 0 1 298.312 2.653 20 10 CFCDMN O=S(=O)(Nc1ccc(O)cc1)c1ccccc1Cl ZINC000034936939 372518291 /nfs/dbraw/zinc/51/82/91/372518291.db2.gz OYNNWAABCAVZFK-UHFFFAOYSA-N 0 1 283.736 2.846 20 10 CFCDMN COc1cccc(CN2CCOC3(CCCC3)C2)c1O ZINC000093589165 375269858 /nfs/dbraw/zinc/26/98/58/375269858.db2.gz INVIZCHDUDQZHT-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000124561761 377063247 /nfs/dbraw/zinc/06/32/47/377063247.db2.gz RVBGKHPLQYXVPZ-QWHCGFSZSA-N 0 1 267.756 2.799 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCSC1 ZINC000130577013 377578316 /nfs/dbraw/zinc/57/83/16/377578316.db2.gz CHONQDAQDXGTLJ-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCSC1 ZINC000130577013 377578324 /nfs/dbraw/zinc/57/83/24/377578324.db2.gz CHONQDAQDXGTLJ-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000130910096 377629372 /nfs/dbraw/zinc/62/93/72/377629372.db2.gz VHCCUPYASFHNIP-VBKZILBWSA-N 0 1 296.480 2.732 20 10 CFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000132035671 377794789 /nfs/dbraw/zinc/79/47/89/377794789.db2.gz BIJPHVYZNSOHAL-QGZVFWFLSA-N 0 1 274.408 2.898 20 10 CFCDMN CCOCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134912989 378061970 /nfs/dbraw/zinc/06/19/70/378061970.db2.gz HVHCHFVTUNRACB-VIFPVBQESA-N 0 1 288.185 2.842 20 10 CFCDMN CC1(O)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000177190059 380313580 /nfs/dbraw/zinc/31/35/80/380313580.db2.gz AJMROLAGJDQNKW-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN COC[C@H](NCc1cc(C)ccc1O)c1ccco1 ZINC000177571865 380355351 /nfs/dbraw/zinc/35/53/51/380355351.db2.gz XKWIJOQBRIODTJ-ZDUSSCGKSA-N 0 1 261.321 2.771 20 10 CFCDMN Oc1cccc([C@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000179576258 380560452 /nfs/dbraw/zinc/56/04/52/380560452.db2.gz FNRZSAZUWFUTQB-QGZVFWFLSA-N 0 1 285.343 2.671 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180622368 380683551 /nfs/dbraw/zinc/68/35/51/380683551.db2.gz YGYUOLDRMQENRZ-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000180719526 380692907 /nfs/dbraw/zinc/69/29/07/380692907.db2.gz MHBURWIVCZGLOK-CZUORRHYSA-N 0 1 285.391 2.980 20 10 CFCDMN Cc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000182090900 380990513 /nfs/dbraw/zinc/99/05/13/380990513.db2.gz RFVXGFVAJBLHLT-OAHLLOKOSA-N 0 1 299.418 2.889 20 10 CFCDMN CC(C)(C)n1ncnc1CN[C@H]1CCc2cccc(O)c21 ZINC000296527779 381436228 /nfs/dbraw/zinc/43/62/28/381436228.db2.gz RLWYSNJZLLVSSG-LBPRGKRZSA-N 0 1 286.379 2.516 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000371529683 381651505 /nfs/dbraw/zinc/65/15/05/381651505.db2.gz UHDAXKQEPFDLAM-CQSZACIVSA-N 0 1 289.354 2.783 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000371527849 381651642 /nfs/dbraw/zinc/65/16/42/381651642.db2.gz JEVDKNUJPGYJAE-ZIAGYGMSSA-N 0 1 265.328 2.675 20 10 CFCDMN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186353926 381889061 /nfs/dbraw/zinc/88/90/61/381889061.db2.gz RXJVUOAOPJKALI-SNVBAGLBSA-N 0 1 298.814 2.859 20 10 CFCDMN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCO[C@H]1C1CC1 ZINC000373371759 381988518 /nfs/dbraw/zinc/98/85/18/381988518.db2.gz XIBIGKXCFMYJDH-JKSUJKDBSA-N 0 1 279.355 2.826 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373490890 382017341 /nfs/dbraw/zinc/01/73/41/382017341.db2.gz RZDOWWABIOMIAG-CHWSQXEVSA-N 0 1 267.756 2.799 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000375705358 382098045 /nfs/dbraw/zinc/09/80/45/382098045.db2.gz QAAZNHPHCSBCAY-GXFFZTMASA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000375705358 382098052 /nfs/dbraw/zinc/09/80/52/382098052.db2.gz QAAZNHPHCSBCAY-GXFFZTMASA-N 0 1 267.756 2.656 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000293570461 382179584 /nfs/dbraw/zinc/17/95/84/382179584.db2.gz IYMQAQNRPGVTDO-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1nccnc1[C@@H](C)NCc1ccc2c(c1)CCN2C ZINC000376650174 382159121 /nfs/dbraw/zinc/15/91/21/382159121.db2.gz DAEXOLUSAASQTG-CYBMUJFWSA-N 0 1 282.391 2.628 20 10 CFCDMN O=C(C1CCN(Cc2ccccc2O)CC1)C(F)(F)F ZINC000187656300 382237416 /nfs/dbraw/zinc/23/74/16/382237416.db2.gz QWVAQEPCUHGATJ-UHFFFAOYSA-N 0 1 287.281 2.736 20 10 CFCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293814285 382290451 /nfs/dbraw/zinc/29/04/51/382290451.db2.gz FKMPVWABRMSLHP-WPRPVWTQSA-N 0 1 273.735 2.530 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000377357839 382257859 /nfs/dbraw/zinc/25/78/59/382257859.db2.gz KMPHKGLFMAFFGG-WCQYABFASA-N 0 1 285.746 2.938 20 10 CFCDMN Cc1ccc(O)c(CN[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000364322117 382306133 /nfs/dbraw/zinc/30/61/33/382306133.db2.gz DRQWRNAMKPZDJQ-INIZCTEOSA-N 0 1 294.358 2.698 20 10 CFCDMN COc1ccncc1CN[C@H](C)c1cc(F)ccc1O ZINC000293990261 382368010 /nfs/dbraw/zinc/36/80/10/382368010.db2.gz BZAKMTKCLYDTCA-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378371892 382449458 /nfs/dbraw/zinc/44/94/58/382449458.db2.gz AIBBFVNHBRACCI-BPLDGKMQSA-N 0 1 261.365 2.638 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1C ZINC000366651566 382539340 /nfs/dbraw/zinc/53/93/40/382539340.db2.gz IIDJAJJMOZHUOT-GJZGRUSLSA-N 0 1 275.392 2.867 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000189299843 382585560 /nfs/dbraw/zinc/58/55/60/382585560.db2.gz GOMYUEHOUNGZKE-FOGDFJRCSA-N 0 1 269.772 2.857 20 10 CFCDMN CN(Cc1ccon1)Cc1cc(Cl)c(F)cc1O ZINC000295256547 382600760 /nfs/dbraw/zinc/60/07/60/382600760.db2.gz GNAQNAKAPHPQIQ-UHFFFAOYSA-N 0 1 270.691 2.805 20 10 CFCDMN COC(=O)c1cnc(SCCN2CCCCC2)s1 ZINC000295273782 382605052 /nfs/dbraw/zinc/60/50/52/382605052.db2.gz JUFRLFFEXPXZJQ-UHFFFAOYSA-N 0 1 286.422 2.508 20 10 CFCDMN C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000268096267 384529782 /nfs/dbraw/zinc/52/97/82/384529782.db2.gz CKYJWACKTWZPFC-HZMBPMFUSA-N 0 1 280.799 2.618 20 10 CFCDMN Cc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)nn1C ZINC000282109761 385214787 /nfs/dbraw/zinc/21/47/87/385214787.db2.gz JAANPNDYMGLGRC-AWEZNQCLSA-N 0 1 298.434 2.962 20 10 CFCDMN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)OC ZINC000282417446 385304696 /nfs/dbraw/zinc/30/46/96/385304696.db2.gz JAJZSZDQVCZWNJ-GFCCVEGCSA-N 0 1 265.353 2.556 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)OC[C@@H]2CC)c1 ZINC000271008291 385300482 /nfs/dbraw/zinc/30/04/82/385300482.db2.gz OORIJNJVEJBEFQ-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271479877 385383974 /nfs/dbraw/zinc/38/39/74/385383974.db2.gz JMDSUHOELUQUET-NEPJUHHUSA-N 0 1 287.411 2.845 20 10 CFCDMN COC1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000272323294 385509761 /nfs/dbraw/zinc/50/97/61/385509761.db2.gz UWYMFQWGPUJKGS-UHFFFAOYSA-N 0 1 267.344 2.921 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccccc2)c(O)c1C ZINC000273376998 385679258 /nfs/dbraw/zinc/67/92/58/385679258.db2.gz HJYZEQLSXJGFSH-CZUORRHYSA-N 0 1 298.386 2.886 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCOC2)cc1C ZINC000107671916 393871005 /nfs/dbraw/zinc/87/10/05/393871005.db2.gz VBLRTJLHOXQMMI-CQSZACIVSA-N 0 1 263.381 2.867 20 10 CFCDMN CC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000020194933 171060818 /nfs/dbraw/zinc/06/08/18/171060818.db2.gz YFFASIRIZNFNFD-DGCLKSJQSA-N 0 1 259.349 2.967 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044144 174051680 /nfs/dbraw/zinc/05/16/80/174051680.db2.gz AMQAXDDQUVQMBS-JTQLQIEISA-N 0 1 255.745 2.562 20 10 CFCDMN Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000365614165 262374725 /nfs/dbraw/zinc/37/47/25/262374725.db2.gz FOVUPMYDZWNARH-CQSZACIVSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000365614165 262374726 /nfs/dbraw/zinc/37/47/26/262374726.db2.gz FOVUPMYDZWNARH-CQSZACIVSA-N 0 1 291.782 2.998 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000371331413 267391904 /nfs/dbraw/zinc/39/19/04/267391904.db2.gz HNYRREDTHQZSTE-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000371331413 267391900 /nfs/dbraw/zinc/39/19/00/267391900.db2.gz HNYRREDTHQZSTE-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281667361 274080358 /nfs/dbraw/zinc/08/03/58/274080358.db2.gz LGLHGDPSIDKNOM-HZMBPMFUSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281667361 274080360 /nfs/dbraw/zinc/08/03/60/274080360.db2.gz LGLHGDPSIDKNOM-HZMBPMFUSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281667361 274080361 /nfs/dbraw/zinc/08/03/61/274080361.db2.gz LGLHGDPSIDKNOM-HZMBPMFUSA-N 0 1 295.354 2.733 20 10 CFCDMN CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278153558 521614485 /nfs/dbraw/zinc/61/44/85/521614485.db2.gz CMNAJXXBWHWRJJ-UHFFFAOYSA-N 0 1 268.313 2.541 20 10 CFCDMN CC(C)(C)c1nc(CSc2nccs2)n[nH]1 ZINC000292563079 519103067 /nfs/dbraw/zinc/10/30/67/519103067.db2.gz YCUQUALQYFALHT-UHFFFAOYSA-N 0 1 254.384 2.851 20 10 CFCDMN CC(C)n1nccc1CN(C)Cc1ccccc1O ZINC000279733125 520097669 /nfs/dbraw/zinc/09/76/69/520097669.db2.gz WHCARKNNIBVVKP-UHFFFAOYSA-N 0 1 259.353 2.802 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H](C)OC ZINC000291158028 521293955 /nfs/dbraw/zinc/29/39/55/521293955.db2.gz FNVHIEXNWVDNMU-SNVBAGLBSA-N 0 1 283.343 2.591 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H](C)OC ZINC000291158028 521293957 /nfs/dbraw/zinc/29/39/57/521293957.db2.gz FNVHIEXNWVDNMU-SNVBAGLBSA-N 0 1 283.343 2.591 20 10 CFCDMN CCC(O)(CC)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552317 521656296 /nfs/dbraw/zinc/65/62/96/521656296.db2.gz XKOHCCGGRFBKAQ-UHFFFAOYSA-N 0 1 257.761 2.686 20 10 CFCDMN COCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163761978 521796440 /nfs/dbraw/zinc/79/64/40/521796440.db2.gz QDGBAGVNQBMIIK-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000184689338 522536251 /nfs/dbraw/zinc/53/62/51/522536251.db2.gz NDWUWFOUZSCYNZ-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000184689338 522536261 /nfs/dbraw/zinc/53/62/61/522536261.db2.gz NDWUWFOUZSCYNZ-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCOC1 ZINC000156030506 523156320 /nfs/dbraw/zinc/15/63/20/523156320.db2.gz UQRDAHJYLROCSN-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCOC1 ZINC000156030506 523156328 /nfs/dbraw/zinc/15/63/28/523156328.db2.gz UQRDAHJYLROCSN-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN COC(=O)[C@@H](C)N(Cc1cc(C)c(C)cc1O)C1CCC1 ZINC000191641493 523527409 /nfs/dbraw/zinc/52/74/09/523527409.db2.gz CGQLQGTZOYQRHB-CYBMUJFWSA-N 0 1 291.391 2.925 20 10 CFCDMN COC(=O)[C@@H](C)N(Cc1cccc(C)c1O)C1CCC1 ZINC000191640960 523529117 /nfs/dbraw/zinc/52/91/17/523529117.db2.gz SMPJSYHIUVAQON-GFCCVEGCSA-N 0 1 277.364 2.617 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000276424101 523715957 /nfs/dbraw/zinc/71/59/57/523715957.db2.gz GNUBZPVGICPNOY-WDEREUQCSA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000276424101 523715968 /nfs/dbraw/zinc/71/59/68/523715968.db2.gz GNUBZPVGICPNOY-WDEREUQCSA-N 0 1 297.782 2.677 20 10 CFCDMN CC[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278291839 523869736 /nfs/dbraw/zinc/86/97/36/523869736.db2.gz UXRAKNQHVGYFKK-JTQLQIEISA-N 0 1 282.340 2.787 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000234888671 523996234 /nfs/dbraw/zinc/99/62/34/523996234.db2.gz NESAHECIIHYVTE-JTQLQIEISA-N 0 1 276.163 2.920 20 10 CFCDMN CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1O ZINC000171937030 524014804 /nfs/dbraw/zinc/01/48/04/524014804.db2.gz SLVDYXFDTWRPED-KRWDZBQOSA-N 0 1 298.386 2.654 20 10 CFCDMN COc1ccc(CN[C@H](CC(N)=O)c2ccccc2)cc1C ZINC000293162856 524090424 /nfs/dbraw/zinc/09/04/24/524090424.db2.gz VRJKQELFUWGESO-MRXNPFEDSA-N 0 1 298.386 2.710 20 10 CFCDMN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654649 524559748 /nfs/dbraw/zinc/55/97/48/524559748.db2.gz ZHSKWHIMPWQKRS-FZMZJTMJSA-N 0 1 282.815 2.818 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000273527197 525392124 /nfs/dbraw/zinc/39/21/24/525392124.db2.gz VOZHNSXMVOYNIW-GRYCIOLGSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@@H]([NH2+]CCCCO)c1ccc2ccccc2c1[O-] ZINC000193281511 525434882 /nfs/dbraw/zinc/43/48/82/525434882.db2.gz PMQZWDUCFBHZMS-GFCCVEGCSA-N 0 1 259.349 2.969 20 10 CFCDMN C[C@@H]([NH2+]CCF)c1cc(Br)ccc1[O-] ZINC000280929884 525446262 /nfs/dbraw/zinc/44/62/62/525446262.db2.gz FILUCBPNJDYVRN-SSDOTTSWSA-N 0 1 262.122 2.775 20 10 CFCDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000274944911 525485844 /nfs/dbraw/zinc/48/58/44/525485844.db2.gz GAKISHCQCONDTO-NSHDSACASA-N 0 1 285.395 2.599 20 10 CFCDMN C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000184996178 525546526 /nfs/dbraw/zinc/54/65/26/525546526.db2.gz UABKFTWDQDGANX-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000085982622 525770296 /nfs/dbraw/zinc/77/02/96/525770296.db2.gz IKJZSEWBPHEIDZ-VXGBXAGGSA-N 0 1 259.349 2.967 20 10 CFCDMN Cc1ccoc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000292794770 525795592 /nfs/dbraw/zinc/79/55/92/525795592.db2.gz MVDPMZYVEVNEQV-UHFFFAOYSA-N 0 1 275.304 2.654 20 10 CFCDMN COc1cccc(CN(C)Cc2occc2C)c1O ZINC000292744021 525919165 /nfs/dbraw/zinc/91/91/65/525919165.db2.gz HTBBWYBSRQYXGP-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1CC(F)F ZINC000289771685 526326385 /nfs/dbraw/zinc/32/63/85/526326385.db2.gz RIEFIAUUADJKRB-JTQLQIEISA-N 0 1 291.725 2.902 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228174805 526327551 /nfs/dbraw/zinc/32/75/51/526327551.db2.gz RVBGKHPLQYXVPZ-OLZOCXBDSA-N 0 1 267.756 2.799 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000295360994 526333121 /nfs/dbraw/zinc/33/31/21/526333121.db2.gz NSPMQUZYCUYDHP-JSGCOSHPSA-N 0 1 285.746 2.938 20 10 CFCDMN Oc1ccc(F)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290814542 526349955 /nfs/dbraw/zinc/34/99/55/526349955.db2.gz GJKWQKDRXHEHHT-ZDUSSCGKSA-N 0 1 295.745 2.828 20 10 CFCDMN Oc1ccc2c(c1CNc1ncnc3[nH]cnc31)CCCC2 ZINC000290751886 526354162 /nfs/dbraw/zinc/35/41/62/526354162.db2.gz IVOHTGKNSOTRBO-UHFFFAOYSA-N 0 1 295.346 2.549 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000275073111 527563433 /nfs/dbraw/zinc/56/34/33/527563433.db2.gz XTSGOIGOOWNIAZ-GWCFXTLKSA-N 0 1 269.772 2.686 20 10 CFCDMN Cn1nc(CNCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000727471147 574052274 /nfs/dbraw/zinc/05/22/74/574052274.db2.gz ZKAJOJWQIUFKPA-UHFFFAOYSA-N 0 1 293.370 2.798 20 10 CFCDMN CCn1cc(CN(C)Cc2cc(C)cc(C)c2O)cn1 ZINC000754725896 574117023 /nfs/dbraw/zinc/11/70/23/574117023.db2.gz FKXQIBRYFNQBSP-UHFFFAOYSA-N 0 1 273.380 2.857 20 10 CFCDMN Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1F ZINC000731489820 574122373 /nfs/dbraw/zinc/12/23/73/574122373.db2.gz NJHZGPFOJKZEEP-ZROIWOOFSA-N 0 1 296.301 2.596 20 10 CFCDMN CN(Cc1cc[nH]n1)Cc1c(O)ccc2ccccc21 ZINC000732671357 574165208 /nfs/dbraw/zinc/16/52/08/574165208.db2.gz UZKSNWZZJLEBEO-UHFFFAOYSA-N 0 1 267.332 2.901 20 10 CFCDMN CCCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756320942 574224956 /nfs/dbraw/zinc/22/49/56/574224956.db2.gz FZQNFZDYJJHGRC-SNVBAGLBSA-N 0 1 289.734 2.918 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](C(N)=O)c2ccccc2)c(O)c1 ZINC000756381045 574231336 /nfs/dbraw/zinc/23/13/36/574231336.db2.gz IWTWFQBGTCIXAD-BLLLJJGKSA-N 0 1 284.359 2.578 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c(O)c1 ZINC000756381048 574231418 /nfs/dbraw/zinc/23/14/18/574231418.db2.gz IWTWFQBGTCIXAD-WBMJQRKESA-N 0 1 284.359 2.578 20 10 CFCDMN CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756459691 574238721 /nfs/dbraw/zinc/23/87/21/574238721.db2.gz WSHGCTVQBBLOJN-SNVBAGLBSA-N 0 1 284.787 2.565 20 10 CFCDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000756534395 574244262 /nfs/dbraw/zinc/24/42/62/574244262.db2.gz KRYHJNSUNNBMJT-YWVKMMECSA-N 0 1 290.342 2.559 20 10 CFCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000756583744 574250402 /nfs/dbraw/zinc/25/04/02/574250402.db2.gz ATUKGDCJZGYLQH-SECBINFHSA-N 0 1 265.744 2.928 20 10 CFCDMN C[C@@H](NCc1ccon1)c1cc(F)cc(F)c1O ZINC000756635210 574254001 /nfs/dbraw/zinc/25/40/01/574254001.db2.gz FGSFTXMXQHLLKH-SSDOTTSWSA-N 0 1 254.236 2.509 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756741188 574260634 /nfs/dbraw/zinc/26/06/34/574260634.db2.gz VZAZIFLJFISLCL-RNCFNFMXSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+]CCN1CCC1)c1cc(Br)ccc1[O-] ZINC000756770789 574261917 /nfs/dbraw/zinc/26/19/17/574261917.db2.gz XDPCBTGOJNAHKD-SNVBAGLBSA-N 0 1 299.212 2.511 20 10 CFCDMN COc1ccc(O)c(CNCc2nn(C)c3ccccc23)c1 ZINC000734003495 574268834 /nfs/dbraw/zinc/26/88/34/574268834.db2.gz IXYCYZAVDKRAJQ-UHFFFAOYSA-N 0 1 297.358 2.577 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798858 574310140 /nfs/dbraw/zinc/31/01/40/574310140.db2.gz UACGBWFAIHHLAG-CABCVRRESA-N 0 1 298.386 2.799 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798858 574310142 /nfs/dbraw/zinc/31/01/42/574310142.db2.gz UACGBWFAIHHLAG-CABCVRRESA-N 0 1 298.386 2.799 20 10 CFCDMN CCC1(O)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000742175756 574317643 /nfs/dbraw/zinc/31/76/43/574317643.db2.gz NGJDWSKLIQJBCD-UHFFFAOYSA-N 0 1 286.375 2.677 20 10 CFCDMN CCN(CC)c1ccc(CN(C)Cc2cncn2C)cc1 ZINC000751468560 574377569 /nfs/dbraw/zinc/37/75/69/574377569.db2.gz JBZYAXHXDLZPNM-UHFFFAOYSA-N 0 1 286.423 2.898 20 10 CFCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000833554061 604544937 /nfs/dbraw/zinc/54/49/37/604544937.db2.gz NOCTYQBIWGLNBP-KRWDZBQOSA-N 0 1 289.375 2.568 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000227229727 604679797 /nfs/dbraw/zinc/67/97/97/604679797.db2.gz YUFGOMVHOBPLHC-UBHSHLNASA-N 0 1 275.348 2.610 20 10 CFCDMN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000932370424 617694520 /nfs/dbraw/zinc/69/45/20/617694520.db2.gz RDSWFSUBOJUOSO-SNVBAGLBSA-N 0 1 283.343 2.637 20 10 CFCDMN CCn1cc(CN(C)Cc2ccccc2O)c(C)n1 ZINC000891714133 617724682 /nfs/dbraw/zinc/72/46/82/617724682.db2.gz SSEQDMDFLXRLRA-UHFFFAOYSA-N 0 1 259.353 2.549 20 10 CFCDMN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000806169043 617806542 /nfs/dbraw/zinc/80/65/42/617806542.db2.gz HMRRHVFRCJEKLK-WDEREUQCSA-N 0 1 271.788 2.961 20 10 CFCDMN CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758313 617836135 /nfs/dbraw/zinc/83/61/35/617836135.db2.gz VIFAIJPZLUVQQN-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758313 617836141 /nfs/dbraw/zinc/83/61/41/617836141.db2.gz VIFAIJPZLUVQQN-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CCOCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840871767 618195196 /nfs/dbraw/zinc/19/51/96/618195196.db2.gz FRSDFQCLQZAIGA-UHFFFAOYSA-N 0 1 257.761 2.870 20 10 CFCDMN CN(C)c1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895068114 618253305 /nfs/dbraw/zinc/25/33/05/618253305.db2.gz JMWLTJURSFGIQU-UHFFFAOYSA-N 0 1 296.418 2.913 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894046658 618288590 /nfs/dbraw/zinc/28/85/90/618288590.db2.gz XWHMDTIBBCAGGX-FZMZJTMJSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894046658 618288591 /nfs/dbraw/zinc/28/85/91/618288591.db2.gz XWHMDTIBBCAGGX-FZMZJTMJSA-N 0 1 298.377 2.975 20 10 CFCDMN CC[C@H](N[C@H](C)c1nnnn1C1CC1)c1ccccc1O ZINC000189112396 618325082 /nfs/dbraw/zinc/32/50/82/618325082.db2.gz PBIKLNSNCHTGBX-MFKMUULPSA-N 0 1 287.367 2.516 20 10 CFCDMN CC1=NO[C@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000895300702 618520288 /nfs/dbraw/zinc/52/02/88/618520288.db2.gz RLAQBYOXVNVFDI-JTQLQIEISA-N 0 1 268.744 2.608 20 10 CFCDMN [O-]c1c(C[NH2+]CC2CSC2)ccc2ccccc21 ZINC000895422214 618583028 /nfs/dbraw/zinc/58/30/28/618583028.db2.gz WBDHWTOYTYIGHM-UHFFFAOYSA-N 0 1 259.374 2.998 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)CC(C)C)c(Cl)c1 ZINC000840886661 618680998 /nfs/dbraw/zinc/68/09/98/618680998.db2.gz KWBAMZMMFAVMFQ-LLVKDONJSA-N 0 1 271.788 2.851 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000182332666 625285477 /nfs/dbraw/zinc/28/54/77/625285477.db2.gz BAZBOQKDETTYPU-HUUCEWRRSA-N 0 1 295.354 2.781 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000840891016 618726949 /nfs/dbraw/zinc/72/69/49/618726949.db2.gz QBDDKSGNPACDSF-ZWNOBZJWSA-N 0 1 298.814 2.999 20 10 CFCDMN CC(C)C[C@H]1COCCN1Cc1cc(F)ccc1O ZINC000180140502 618858898 /nfs/dbraw/zinc/85/88/98/618858898.db2.gz WUBXRNSEICPFTR-AWEZNQCLSA-N 0 1 267.344 2.778 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840937566 619077848 /nfs/dbraw/zinc/07/78/48/619077848.db2.gz RTEIALQVZSMOLK-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840937566 619077852 /nfs/dbraw/zinc/07/78/52/619077852.db2.gz RTEIALQVZSMOLK-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN C[C@H](N[C@@H]1CNOC1)c1ccc(N2CCCCCC2)cc1 ZINC000925863277 619188898 /nfs/dbraw/zinc/18/88/98/619188898.db2.gz AFCSGDJZRIZUBW-GOEBONIOSA-N 0 1 289.423 2.621 20 10 CFCDMN C[C@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@@H]1F ZINC000894418894 619379510 /nfs/dbraw/zinc/37/95/10/619379510.db2.gz CLGTZJDBAPJVFN-UFBFGSQYSA-N 0 1 259.271 2.850 20 10 CFCDMN C[N@@H+](CCc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894448313 619388551 /nfs/dbraw/zinc/38/85/51/619388551.db2.gz FROICZOWOJFASW-UHFFFAOYSA-N 0 1 278.302 2.740 20 10 CFCDMN C[C@]1(F)CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894869319 619492152 /nfs/dbraw/zinc/49/21/52/619492152.db2.gz TWPHXAJGGBOOMY-ZDUSSCGKSA-N 0 1 259.271 2.994 20 10 CFCDMN Fc1cc(CN2CCC(F)CC2)ccc1N1CCOCC1 ZINC000895549584 619549839 /nfs/dbraw/zinc/54/98/39/619549839.db2.gz MEYNPXMVKWKFTO-UHFFFAOYSA-N 0 1 296.361 2.596 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895868996 619626509 /nfs/dbraw/zinc/62/65/09/619626509.db2.gz UEGACEKRYINWQO-UHFFFAOYSA-N 0 1 279.355 2.706 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCO[C@@H](C)CC2)cc1Cl ZINC000896579773 619766070 /nfs/dbraw/zinc/76/60/70/619766070.db2.gz RBTYYTFENXMVGB-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCO[C@@H](C)CC2)cc1Cl ZINC000896579773 619766072 /nfs/dbraw/zinc/76/60/72/619766072.db2.gz RBTYYTFENXMVGB-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000840997659 620117027 /nfs/dbraw/zinc/11/70/27/620117027.db2.gz XIMCZOXNTUCOLT-SQRWCISFSA-N 0 1 288.391 2.705 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530862 620220112 /nfs/dbraw/zinc/22/01/12/620220112.db2.gz SMEGODGPHSBASO-UHFFFAOYSA-N 0 1 281.783 2.830 20 10 CFCDMN CCC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC ZINC000897834073 620291410 /nfs/dbraw/zinc/29/14/10/620291410.db2.gz GUYFPOWRLYAZQH-SNVBAGLBSA-N 0 1 289.734 2.616 20 10 CFCDMN Cc1noc(C2(NCc3cccc(Cl)c3O)CC2)n1 ZINC000897898085 620300532 /nfs/dbraw/zinc/30/05/32/620300532.db2.gz XZWPYYHHIGGQOT-UHFFFAOYSA-N 0 1 279.727 2.516 20 10 CFCDMN CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000898306847 620369989 /nfs/dbraw/zinc/36/99/89/620369989.db2.gz OWGACFSKTAMJON-UHFFFAOYSA-N 0 1 286.366 2.690 20 10 CFCDMN CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000898306847 620369991 /nfs/dbraw/zinc/36/99/91/620369991.db2.gz OWGACFSKTAMJON-UHFFFAOYSA-N 0 1 286.366 2.690 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000926945084 620429350 /nfs/dbraw/zinc/42/93/50/620429350.db2.gz SWWPXEMGJSTKAR-MAWWSGROSA-N 0 1 297.782 2.500 20 10 CFCDMN C[C@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)c1ccccc1O ZINC000899181930 620528322 /nfs/dbraw/zinc/52/83/22/620528322.db2.gz OROHWBNPBHFPFU-QWRGUYRKSA-N 0 1 299.374 2.731 20 10 CFCDMN CC[C@H](NCc1csc(N)n1)c1ccccc1O ZINC000902500047 621105313 /nfs/dbraw/zinc/10/53/13/621105313.db2.gz SIYYXKXOTZFYQO-NSHDSACASA-N 0 1 263.366 2.672 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300603 621314826 /nfs/dbraw/zinc/31/48/26/621314826.db2.gz IPRDQSBPDTXNJB-OUJBWJOFSA-N 0 1 268.788 2.789 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(Cl)cc1[O-] ZINC000903287404 621318546 /nfs/dbraw/zinc/31/85/46/621318546.db2.gz RVILWOCIUQYSMF-LQEIOPRQSA-N 0 1 279.767 2.872 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Br)ccc1[O-] ZINC000903317727 621330498 /nfs/dbraw/zinc/33/04/98/621330498.db2.gz MDMLXHUUYJDTLL-GXSJLCMTSA-N 0 1 299.212 2.509 20 10 CFCDMN CCc1nn(C)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000183376188 625481717 /nfs/dbraw/zinc/48/17/17/625481717.db2.gz RKAYSGLHWJAGEC-UHFFFAOYSA-N 0 1 286.423 2.681 20 10 CFCDMN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903409463 621364435 /nfs/dbraw/zinc/36/44/35/621364435.db2.gz XDAXRPKBLULFMI-NOZJJQNGSA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCn3cccc3C2)c1 ZINC000905743848 621843966 /nfs/dbraw/zinc/84/39/66/621843966.db2.gz ARGFUWWHPOIARP-UHFFFAOYSA-N 0 1 256.349 2.826 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000222110871 622941904 /nfs/dbraw/zinc/94/19/04/622941904.db2.gz KDZXUJNZGSYBCR-UHFFFAOYSA-N 0 1 277.751 2.828 20 10 CFCDMN Cc1cnc(CNCc2cc(F)ccc2O)s1 ZINC000226609457 623083451 /nfs/dbraw/zinc/08/34/51/623083451.db2.gz JCYLWZXPMGWSSW-UHFFFAOYSA-N 0 1 252.314 2.586 20 10 CFCDMN CN(C)c1ccc(CN[C@@H]2CCc3cccnc32)cc1 ZINC000226802225 623091422 /nfs/dbraw/zinc/09/14/22/623091422.db2.gz OUTIOFWQHYIIDG-MRXNPFEDSA-N 0 1 267.376 2.925 20 10 CFCDMN CN(C)c1ccc(CN[C@H]2CCc3cccnc32)cc1 ZINC000226802233 623091630 /nfs/dbraw/zinc/09/16/30/623091630.db2.gz OUTIOFWQHYIIDG-INIZCTEOSA-N 0 1 267.376 2.925 20 10 CFCDMN CC[S@@](=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168765656 623103120 /nfs/dbraw/zinc/10/31/20/623103120.db2.gz XULLTRWRCOPBEY-ODXCJYRJSA-N 0 1 291.416 2.965 20 10 CFCDMN C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000227372894 623108246 /nfs/dbraw/zinc/10/82/46/623108246.db2.gz ZSIXSXGSVIBYSQ-GLQYFDAESA-N 0 1 278.371 2.809 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000076818171 623205712 /nfs/dbraw/zinc/20/57/12/623205712.db2.gz XLIWHBNYYHWGJO-UHFFFAOYSA-N 0 1 290.407 2.972 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230163970 623258528 /nfs/dbraw/zinc/25/85/28/623258528.db2.gz CXQYHGWSTUFDMG-SNVBAGLBSA-N 0 1 255.745 2.562 20 10 CFCDMN Cc1ncsc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000172496388 623285243 /nfs/dbraw/zinc/28/52/43/623285243.db2.gz LBBUVFLBIDFBOF-UHFFFAOYSA-N 0 1 292.360 2.518 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000062999504 623312028 /nfs/dbraw/zinc/31/20/28/623312028.db2.gz BTOIVKIUVLYSPH-AWEZNQCLSA-N 0 1 277.751 2.869 20 10 CFCDMN CN(C)c1ccc(CNCc2cc(C3CC3)nn2C)cc1 ZINC000823609288 623361182 /nfs/dbraw/zinc/36/11/82/623361182.db2.gz SQGIQAHLBBRCNR-UHFFFAOYSA-N 0 1 284.407 2.653 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636831 623537701 /nfs/dbraw/zinc/53/77/01/623537701.db2.gz UGAHNVGCNHVARI-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636831 623537704 /nfs/dbraw/zinc/53/77/04/623537704.db2.gz UGAHNVGCNHVARI-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1O ZINC000824943082 623593050 /nfs/dbraw/zinc/59/30/50/623593050.db2.gz HEOSRSQWXIUIIL-YGRLFVJLSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1O ZINC000824943082 623593053 /nfs/dbraw/zinc/59/30/53/623593053.db2.gz HEOSRSQWXIUIIL-YGRLFVJLSA-N 0 1 269.772 2.557 20 10 CFCDMN CCOc1ccc(CN[C@H](C)c2nccn2CC)c(O)c1 ZINC000825005117 623603512 /nfs/dbraw/zinc/60/35/12/623603512.db2.gz DHYPNLRIMBPXEE-GFCCVEGCSA-N 0 1 289.379 2.858 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1cccc(C)c1O ZINC000825005540 623605417 /nfs/dbraw/zinc/60/54/17/623605417.db2.gz OCPQJWWQLUIMPA-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN CCOc1ccc(O)c(CN[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000825016598 623606895 /nfs/dbraw/zinc/60/68/95/623606895.db2.gz FSNOBSNURPGPKJ-FZMZJTMJSA-N 0 1 287.363 2.783 20 10 CFCDMN CCc1ncc(CNCc2cc(Cl)cc(OC)c2O)o1 ZINC000825078713 623623459 /nfs/dbraw/zinc/62/34/59/623623459.db2.gz AKMVDFINOVAZSG-UHFFFAOYSA-N 0 1 296.754 2.894 20 10 CFCDMN CCCc1ncc(CNCc2cc(F)ccc2O)o1 ZINC000825084381 623625556 /nfs/dbraw/zinc/62/55/56/623625556.db2.gz FEVBXWOHOYHQEL-UHFFFAOYSA-N 0 1 264.300 2.762 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccco2)cc1Cl ZINC000825090296 623626988 /nfs/dbraw/zinc/62/69/88/623626988.db2.gz SRCBZPYDCWSJDM-ZDUSSCGKSA-N 0 1 281.739 2.770 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCC[C@H]2CO)ccc2ccccc21 ZINC000825187512 623646847 /nfs/dbraw/zinc/64/68/47/623646847.db2.gz ADBPCWZWMVZARN-HOCLYGCPSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C3CC3)C2)cc1Cl ZINC000825246718 623658985 /nfs/dbraw/zinc/65/89/85/623658985.db2.gz HARISLMMAYBWEA-LBPRGKRZSA-N 0 1 280.799 2.680 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC[C@@H]2CCCO2)cc1Cl ZINC000825288624 623664687 /nfs/dbraw/zinc/66/46/87/623664687.db2.gz SZZWYBULFLVUMR-ZDUSSCGKSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1Cl ZINC000825303991 623667126 /nfs/dbraw/zinc/66/71/26/623667126.db2.gz PEJTWQGEIDJDQM-GXSJLCMTSA-N 0 1 271.788 2.851 20 10 CFCDMN C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000825311075 623668902 /nfs/dbraw/zinc/66/89/02/623668902.db2.gz GDLPCTFNXGWAQB-KCJUWKMLSA-N 0 1 290.190 2.902 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCSC2)cc1Cl ZINC000825327726 623673060 /nfs/dbraw/zinc/67/30/60/623673060.db2.gz ZOJUFTPTRVKGSX-JTQLQIEISA-N 0 1 257.786 2.949 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1Cl ZINC000825337620 623675470 /nfs/dbraw/zinc/67/54/70/623675470.db2.gz NEPMROOZBBREID-LBPRGKRZSA-N 0 1 291.782 2.724 20 10 CFCDMN CC[C@@H](O)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825359032 623680287 /nfs/dbraw/zinc/68/02/87/623680287.db2.gz WZLRWPNEDPMFNQ-LLVKDONJSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC2CC2)cc1Cl ZINC000825378660 623683241 /nfs/dbraw/zinc/68/32/41/623683241.db2.gz DLDKKNLPUDJTFA-GFCCVEGCSA-N 0 1 269.772 2.605 20 10 CFCDMN CCOCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825451316 623696278 /nfs/dbraw/zinc/69/62/78/623696278.db2.gz SVMGLKOUTGOFDG-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CCOCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825451316 623696285 /nfs/dbraw/zinc/69/62/85/623696285.db2.gz SVMGLKOUTGOFDG-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CCOCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825451316 623696296 /nfs/dbraw/zinc/69/62/96/623696296.db2.gz SVMGLKOUTGOFDG-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CO)CCC2)cc1Cl ZINC000825500399 623704616 /nfs/dbraw/zinc/70/46/16/623704616.db2.gz AORMWHCMLLQEFX-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1Cl ZINC000825561853 623716106 /nfs/dbraw/zinc/71/61/06/623716106.db2.gz HSYUQFBKNQICCO-STQMWFEESA-N 0 1 269.772 2.603 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043987 623786638 /nfs/dbraw/zinc/78/66/38/623786638.db2.gz XAJMWZPOBNBTTE-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043987 623786645 /nfs/dbraw/zinc/78/66/45/623786645.db2.gz XAJMWZPOBNBTTE-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000826123074 623796549 /nfs/dbraw/zinc/79/65/49/623796549.db2.gz FRYZBDOSTGZKAP-DGCLKSJQSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1Cl ZINC000826123387 623796613 /nfs/dbraw/zinc/79/66/13/623796613.db2.gz MAYHXEWYCXDLFL-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1Cl ZINC000826123387 623796616 /nfs/dbraw/zinc/79/66/16/623796616.db2.gz MAYHXEWYCXDLFL-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1nnc(CN(C)Cc2cc(Cl)c(F)cc2O)o1 ZINC000827039322 623928627 /nfs/dbraw/zinc/92/86/27/623928627.db2.gz OMDOACANFSXJJG-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC1=CCCOC1 ZINC000827184679 623961175 /nfs/dbraw/zinc/96/11/75/623961175.db2.gz FFTKPMPLODTXMR-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC1=CCCOC1 ZINC000827184679 623961179 /nfs/dbraw/zinc/96/11/79/623961179.db2.gz FFTKPMPLODTXMR-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c(Cl)c1 ZINC000827283115 623981311 /nfs/dbraw/zinc/98/13/11/623981311.db2.gz OYQSWCHTWOZIAG-ABAIWWIYSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(Cl)c1 ZINC000827283115 623981313 /nfs/dbraw/zinc/98/13/13/623981313.db2.gz OYQSWCHTWOZIAG-ABAIWWIYSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000827596130 624041536 /nfs/dbraw/zinc/04/15/36/624041536.db2.gz VGKADSLGPUHXKD-WCQYABFASA-N 0 1 281.783 2.822 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827643387 624050601 /nfs/dbraw/zinc/05/06/01/624050601.db2.gz JSCRSIHYLVTBEV-UHFFFAOYSA-N 0 1 288.174 2.921 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@]1(C)CO ZINC000827692861 624065990 /nfs/dbraw/zinc/06/59/90/624065990.db2.gz QWXREDYNEUGALE-OTYXRUKQSA-N 0 1 287.762 2.635 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827715114 624074729 /nfs/dbraw/zinc/07/47/29/624074729.db2.gz HNZQBARVUKJGOQ-ZBFHGGJFSA-N 0 1 257.333 2.812 20 10 CFCDMN COc1cc(C)cc(CN(C)Cc2cccnc2)c1O ZINC000915825917 624127183 /nfs/dbraw/zinc/12/71/83/624127183.db2.gz LYXIIUPUKUKNFK-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000828014234 624154590 /nfs/dbraw/zinc/15/45/90/624154590.db2.gz XZXMRAFHCPUFPN-UHFFFAOYSA-N 0 1 277.755 2.717 20 10 CFCDMN CC[C@H](NCc1nn(CC)nc1C)c1ccccc1O ZINC000828687144 624286604 /nfs/dbraw/zinc/28/66/04/624286604.db2.gz FFDILZDAJCSLDY-ZDUSSCGKSA-N 0 1 274.368 2.553 20 10 CFCDMN c1c(CNCc2ccc3c(c2)CCCO3)nc2ccccn12 ZINC000921492461 624899557 /nfs/dbraw/zinc/89/95/57/624899557.db2.gz OSEJJXWDZHTEER-UHFFFAOYSA-N 0 1 293.370 2.949 20 10 CFCDMN COc1ccc(O)c(CNCc2cn3cccc(C)c3n2)c1 ZINC000181337930 625113182 /nfs/dbraw/zinc/11/31/82/625113182.db2.gz JLKRVTLUYFLMSI-UHFFFAOYSA-N 0 1 297.358 2.647 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000834902475 625916512 /nfs/dbraw/zinc/91/65/12/625916512.db2.gz BCRBIZQMMBOFMD-GZBFAFLISA-N 0 1 299.798 2.890 20 10 CFCDMN COc1cccnc1CN[C@@H](C)c1ccccc1O ZINC000834905324 625917885 /nfs/dbraw/zinc/91/78/85/625917885.db2.gz FYJVWNIDQQAJRO-NSHDSACASA-N 0 1 258.321 2.647 20 10 CFCDMN CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834910305 625920023 /nfs/dbraw/zinc/92/00/23/625920023.db2.gz WIPSCTVQLCXYFJ-DOMZBBRYSA-N 0 1 296.798 2.755 20 10 CFCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000083551734 625977236 /nfs/dbraw/zinc/97/72/36/625977236.db2.gz HORRNWMRAGBZLS-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c(Cl)c1 ZINC000922555597 626310559 /nfs/dbraw/zinc/31/05/59/626310559.db2.gz UPCULDASEWQEDJ-ZWNOBZJWSA-N 0 1 268.788 2.536 20 10 CFCDMN Cc1ccc(O)c(CNCc2nc3c(s2)COCC3)c1 ZINC000922964317 626435282 /nfs/dbraw/zinc/43/52/82/626435282.db2.gz DYKUXMZUKRBXRZ-UHFFFAOYSA-N 0 1 290.388 2.520 20 10 CFCDMN COCC1(C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000839145515 626526127 /nfs/dbraw/zinc/52/61/27/626526127.db2.gz MUJFOJQIDIKVBN-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN COCC1(C)CN(Cc2c(O)cccc2Cl)C1 ZINC000839145515 626526128 /nfs/dbraw/zinc/52/61/28/626526128.db2.gz MUJFOJQIDIKVBN-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CC(OCC(F)F)C1 ZINC000839138872 626528406 /nfs/dbraw/zinc/52/84/06/626528406.db2.gz VLCCEVFFEPCCRI-UHFFFAOYSA-N 0 1 295.688 2.651 20 10 CFCDMN CCOC1(C)CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000839141793 626528560 /nfs/dbraw/zinc/52/85/60/626528560.db2.gz ADBBMPGLMJEEKB-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN CCOC1(C)CN(Cc2cccc(Cl)c2O)C1 ZINC000839143372 626528722 /nfs/dbraw/zinc/52/87/22/626528722.db2.gz OTRZLZDMIYCSQG-UHFFFAOYSA-N 0 1 255.745 2.656 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)C2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000839185340 626530111 /nfs/dbraw/zinc/53/01/11/626530111.db2.gz SXFVVFOUAHNRQE-UHFFFAOYSA-N 0 1 294.351 2.929 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000759290379 626642193 /nfs/dbraw/zinc/64/21/93/626642193.db2.gz LRHSRALWMCIHFH-MJHDQNEOSA-N 0 1 269.772 2.686 20 10 CFCDMN C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000760895765 626782506 /nfs/dbraw/zinc/78/25/06/626782506.db2.gz CWQOEEAYSBVRGF-JTQLQIEISA-N 0 1 279.771 2.672 20 10 CFCDMN CCC(CC)[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768443179 627343001 /nfs/dbraw/zinc/34/30/01/627343001.db2.gz QIWWIYLTNSZVKI-INIZCTEOSA-N 0 1 291.391 2.971 20 10 CFCDMN CCC(CC)[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768443179 627343003 /nfs/dbraw/zinc/34/30/03/627343003.db2.gz QIWWIYLTNSZVKI-INIZCTEOSA-N 0 1 291.391 2.971 20 10 CFCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518235 627348475 /nfs/dbraw/zinc/34/84/75/627348475.db2.gz ABVWAFACFLEOKA-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN COc1cccc(O)c1CN(C)Cc1ccoc1C ZINC000769056761 627399722 /nfs/dbraw/zinc/39/97/22/627399722.db2.gz FELGBKZJPACHRG-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN C[C@H]1N(Cc2ccc(N(C)C)cc2)CCOC1(C)C ZINC000769452248 627440977 /nfs/dbraw/zinc/44/09/77/627440977.db2.gz UKGDJCKVIZDTMW-CYBMUJFWSA-N 0 1 262.397 2.752 20 10 CFCDMN CN(Cc1ccon1)Cc1cccc(Br)c1O ZINC000769466380 627443354 /nfs/dbraw/zinc/44/33/54/627443354.db2.gz MPQCASPVICBHNJ-UHFFFAOYSA-N 0 1 297.152 2.775 20 10 CFCDMN COc1ccc(CN[C@H](CO)c2ccsc2)cc1C ZINC000769935112 627488755 /nfs/dbraw/zinc/48/87/55/627488755.db2.gz RAMYRULCQCNUBS-CQSZACIVSA-N 0 1 277.389 2.888 20 10 CFCDMN CCOc1ccc(N(CC)Cc2n[nH]c(CC)n2)cc1 ZINC000771762070 627629199 /nfs/dbraw/zinc/62/91/99/627629199.db2.gz FBUFSRZHYALLQS-UHFFFAOYSA-N 0 1 274.368 2.792 20 10 CFCDMN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775484861 628029890 /nfs/dbraw/zinc/02/98/90/628029890.db2.gz KLOUQHPNIIRFNT-BXKDBHETSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775483450 628030229 /nfs/dbraw/zinc/03/02/29/628030229.db2.gz VTTILCKWRBAJDY-ZDUSSCGKSA-N 0 1 298.814 2.859 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)CO1 ZINC000775653295 628050375 /nfs/dbraw/zinc/05/03/75/628050375.db2.gz CTDFVBZHJTZVER-DTWKUNHWSA-N 0 1 273.735 2.794 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCOC2(CCC2)C1 ZINC000775717084 628058627 /nfs/dbraw/zinc/05/86/27/628058627.db2.gz MATHCEYVBJFROO-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981428 628090245 /nfs/dbraw/zinc/09/02/45/628090245.db2.gz QPJJPPVHCZZSIW-GHMZBOCLSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CN1C ZINC000775981428 628090248 /nfs/dbraw/zinc/09/02/48/628090248.db2.gz QPJJPPVHCZZSIW-GHMZBOCLSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CN1C ZINC000775981428 628090249 /nfs/dbraw/zinc/09/02/49/628090249.db2.gz QPJJPPVHCZZSIW-GHMZBOCLSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775981434 628090302 /nfs/dbraw/zinc/09/03/02/628090302.db2.gz QPJJPPVHCZZSIW-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981434 628090299 /nfs/dbraw/zinc/09/02/99/628090299.db2.gz QPJJPPVHCZZSIW-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775981434 628090304 /nfs/dbraw/zinc/09/03/04/628090304.db2.gz QPJJPPVHCZZSIW-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cccc(Cl)c1O ZINC000776002979 628093592 /nfs/dbraw/zinc/09/35/92/628093592.db2.gz VZLCOVGEWXYRNJ-GXFFZTMASA-N 0 1 297.782 2.819 20 10 CFCDMN CN1CCN(c2ccc(CNc3nccs3)cc2)CC1 ZINC000777505812 628231447 /nfs/dbraw/zinc/23/14/47/628231447.db2.gz GVTQEWCOEXICDW-UHFFFAOYSA-N 0 1 288.420 2.507 20 10 CFCDMN CC(C)(O)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000779192172 628358792 /nfs/dbraw/zinc/35/87/92/628358792.db2.gz KQVVVGFVMCUBMK-UHFFFAOYSA-N 0 1 287.762 2.920 20 10 CFCDMN Cc1nccnc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000783238150 628690899 /nfs/dbraw/zinc/69/08/99/628690899.db2.gz QUYDBXNGHRZVLD-LBPRGKRZSA-N 0 1 269.348 2.571 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)[C@@H](C)O1 ZINC000783737921 628739890 /nfs/dbraw/zinc/73/98/90/628739890.db2.gz PWJVMAOFHKICFU-MGPQQGTHSA-N 0 1 262.397 2.750 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CC=CCC1 ZINC000784017113 628763918 /nfs/dbraw/zinc/76/39/18/628763918.db2.gz VYYDFFIQKLNOER-LRDDRELGSA-N 0 1 289.375 2.606 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CC=CCC1 ZINC000784017113 628763921 /nfs/dbraw/zinc/76/39/21/628763921.db2.gz VYYDFFIQKLNOER-LRDDRELGSA-N 0 1 289.375 2.606 20 10 CFCDMN C[C@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000788257833 629053610 /nfs/dbraw/zinc/05/36/10/629053610.db2.gz RHLMTSKTLNRTAU-JTQLQIEISA-N 0 1 279.771 2.672 20 10 CFCDMN COc1cccnc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835053525 629352978 /nfs/dbraw/zinc/35/29/78/629352978.db2.gz DCPXZNFVADPYBN-GQCTYLIASA-N 0 1 297.402 2.959 20 10 CFCDMN COc1ccncc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835056961 629362407 /nfs/dbraw/zinc/36/24/07/629362407.db2.gz XBNQEUOBLGDAIX-PLNGDYQASA-N 0 1 297.402 2.959 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H]2CCC[C@@H]2O)ccc2ccccc21 ZINC000835084561 629382184 /nfs/dbraw/zinc/38/21/84/629382184.db2.gz LFIRABDAOIQPHO-CJNGLKHVSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc2[nH]ncc2cc1NC(=O)C1=CC(=O)CS1 ZINC000792513573 629429594 /nfs/dbraw/zinc/42/95/94/629429594.db2.gz PIFRLPCOURXVBB-UHFFFAOYSA-N 0 1 273.317 2.891 20 10 CFCDMN Cc1ccc(CN(CCO)Cc2cc(Cl)ccc2O)o1 ZINC000793366302 629531566 /nfs/dbraw/zinc/53/15/66/629531566.db2.gz RLHROSUZXXBUBK-UHFFFAOYSA-N 0 1 295.766 2.942 20 10 CFCDMN Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)ccc2[O-])o1 ZINC000793366302 629531570 /nfs/dbraw/zinc/53/15/70/629531570.db2.gz RLHROSUZXXBUBK-UHFFFAOYSA-N 0 1 295.766 2.942 20 10 CFCDMN Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2[O-])o1 ZINC000793366302 629531572 /nfs/dbraw/zinc/53/15/72/629531572.db2.gz RLHROSUZXXBUBK-UHFFFAOYSA-N 0 1 295.766 2.942 20 10 CFCDMN Cc1cc(N(C)C)nc(NCc2c(O)cccc2Cl)n1 ZINC000800723732 630402789 /nfs/dbraw/zinc/40/27/89/630402789.db2.gz URZIFMULHBQEQN-UHFFFAOYSA-N 0 1 292.770 2.822 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)c1ccn[nH]1 ZINC000801549588 630456839 /nfs/dbraw/zinc/45/68/39/630456839.db2.gz RTGFALMIYYTKKG-UHFFFAOYSA-N 0 1 273.336 2.558 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H](C)C(=O)[O-] ZINC000852738098 634818463 /nfs/dbraw/zinc/81/84/63/634818463.db2.gz ZGIKXHLZPXQGTB-QMMMGPOBSA-N 0 1 299.754 2.543 20 10 CFCDMN CC[C@@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1[O-] ZINC000806171685 630779412 /nfs/dbraw/zinc/77/94/12/630779412.db2.gz RSWWLDVUWTWSSF-GFCCVEGCSA-N 0 1 256.777 2.648 20 10 CFCDMN CS[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840113796 630907196 /nfs/dbraw/zinc/90/71/96/630907196.db2.gz NZYLMJLPWZYXPA-LBPRGKRZSA-N 0 1 274.389 2.878 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840113796 630907198 /nfs/dbraw/zinc/90/71/98/630907198.db2.gz NZYLMJLPWZYXPA-LBPRGKRZSA-N 0 1 274.389 2.878 20 10 CFCDMN CCOCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839709 630912774 /nfs/dbraw/zinc/91/27/74/630912774.db2.gz KFUXWGIOCNKBSK-UHFFFAOYSA-N 0 1 292.162 2.742 20 10 CFCDMN C[C@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838712 630913216 /nfs/dbraw/zinc/91/32/16/630913216.db2.gz POQILFDGZFLBIE-IMTBSYHQSA-N 0 1 274.147 2.971 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000102675115 630927280 /nfs/dbraw/zinc/92/72/80/630927280.db2.gz BYLPLKCUBCPPCL-UHFFFAOYSA-N 0 1 273.380 2.989 20 10 CFCDMN COC[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840886253 631250901 /nfs/dbraw/zinc/25/09/01/631250901.db2.gz TYVGIAHDVHLRID-JTQLQIEISA-N 0 1 257.761 2.726 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC[S@@](C)=O)c(Cl)c1 ZINC000840903943 631255156 /nfs/dbraw/zinc/25/51/56/631255156.db2.gz DNMBOCNTBQWCLP-MLCYQJTMSA-N 0 1 289.828 2.601 20 10 CFCDMN CCC[C@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840897308 631255602 /nfs/dbraw/zinc/25/56/02/631255602.db2.gz QWNWTVVOMUGLQE-AWEZNQCLSA-N 0 1 271.788 2.995 20 10 CFCDMN CC[C@@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840899268 631255769 /nfs/dbraw/zinc/25/57/69/631255769.db2.gz JSCLZISQMTXFHB-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CCO)C(C)C)c(Cl)c1 ZINC000840904076 631256718 /nfs/dbraw/zinc/25/67/18/631256718.db2.gz JVLHEQQELKQWLX-ZDUSSCGKSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c(Cl)c1 ZINC000840907912 631259910 /nfs/dbraw/zinc/25/99/10/631259910.db2.gz UOEDPZGJHQVAIG-IAQYHMDHSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)c(Cl)c1 ZINC000840916591 631264144 /nfs/dbraw/zinc/26/41/44/631264144.db2.gz BRJYNOFDGRHGMI-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)c(Cl)c1 ZINC000840916591 631264147 /nfs/dbraw/zinc/26/41/47/631264147.db2.gz BRJYNOFDGRHGMI-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC[C@H](C)O)c(Cl)c1 ZINC000840918264 631264477 /nfs/dbraw/zinc/26/44/77/631264477.db2.gz QXSAMXBZMXCPLZ-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC[C@H](C)O)c(Cl)c1 ZINC000840918264 631264483 /nfs/dbraw/zinc/26/44/83/631264483.db2.gz QXSAMXBZMXCPLZ-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840916261 631264661 /nfs/dbraw/zinc/26/46/61/631264661.db2.gz IMNGNQKKRWEMHC-OAHLLOKOSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840916261 631264667 /nfs/dbraw/zinc/26/46/67/631264667.db2.gz IMNGNQKKRWEMHC-OAHLLOKOSA-N 0 1 297.782 2.739 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809717154 631269933 /nfs/dbraw/zinc/26/99/33/631269933.db2.gz COHOMOVZYPZISD-QMMMGPOBSA-N 0 1 261.724 2.651 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c(Cl)c1 ZINC000840949468 631276314 /nfs/dbraw/zinc/27/63/14/631276314.db2.gz WHHSLYXIXKBTCX-NHYWBVRUSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1nnc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840947536 631276668 /nfs/dbraw/zinc/27/66/68/631276668.db2.gz VZXHBFMDHVPAOV-UHFFFAOYSA-N 0 1 297.811 2.846 20 10 CFCDMN Cc1nonc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809744187 631276655 /nfs/dbraw/zinc/27/66/55/631276655.db2.gz ZOEXUJVWINJFAT-UHFFFAOYSA-N 0 1 288.134 2.680 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCCCO)c(Cl)c1 ZINC000840951221 631279079 /nfs/dbraw/zinc/27/90/79/631279079.db2.gz UMOBGHOPWHBQFC-NSHDSACASA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840953307 631280297 /nfs/dbraw/zinc/28/02/97/631280297.db2.gz PBJCYNGPLKDFGC-RISCZKNCSA-N 0 1 281.783 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840953307 631280302 /nfs/dbraw/zinc/28/03/02/631280302.db2.gz PBJCYNGPLKDFGC-RISCZKNCSA-N 0 1 281.783 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840953307 631280307 /nfs/dbraw/zinc/28/03/07/631280307.db2.gz PBJCYNGPLKDFGC-RISCZKNCSA-N 0 1 281.783 2.965 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1F ZINC000840998173 631297479 /nfs/dbraw/zinc/29/74/79/631297479.db2.gz RDACHNRLZODWHA-UHFFFAOYSA-N 0 1 296.386 2.967 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000840998744 631297710 /nfs/dbraw/zinc/29/77/10/631297710.db2.gz RERRAGOWHBZMCL-CHYADLBTSA-N 0 1 288.391 2.562 20 10 CFCDMN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1O ZINC000840997878 631297791 /nfs/dbraw/zinc/29/77/91/631297791.db2.gz SINJKCNTFBBSJA-CFVMTHIKSA-N 0 1 289.375 2.918 20 10 CFCDMN CCc1nnc(CN[C@@H](C)c2cc(F)cc(F)c2O)s1 ZINC000810260332 631351902 /nfs/dbraw/zinc/35/19/02/631351902.db2.gz IPKIJDYCNBJEDY-ZETCQYMHSA-N 0 1 299.346 2.935 20 10 CFCDMN Cc1nccn1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746649 631464343 /nfs/dbraw/zinc/46/43/43/631464343.db2.gz JRGLFTJSBXQQHC-JTQLQIEISA-N 0 1 279.771 2.901 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751252 631465298 /nfs/dbraw/zinc/46/52/98/631465298.db2.gz GPSAFNHZJWSEBJ-ICCXJUOJSA-N 0 1 269.772 3.000 20 10 CFCDMN CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750740 631465410 /nfs/dbraw/zinc/46/54/10/631465410.db2.gz ADCBEAXTCVYCLR-ONGXEEELSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841755422 631466977 /nfs/dbraw/zinc/46/69/77/631466977.db2.gz PIPQGFMCFMEDDV-ZANVPECISA-N 0 1 287.812 2.564 20 10 CFCDMN COCC[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756794 631468163 /nfs/dbraw/zinc/46/81/63/631468163.db2.gz KDRSVDVKVBETER-ZYHUDNBSSA-N 0 1 287.787 2.748 20 10 CFCDMN Cn1nc2c(c1CNCc1ccc3c(c1)CCO3)CCCC2 ZINC000812773508 631770357 /nfs/dbraw/zinc/77/03/57/631770357.db2.gz FCXYQVVSEKDMBS-UHFFFAOYSA-N 0 1 297.402 2.524 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812780617 631773009 /nfs/dbraw/zinc/77/30/09/631773009.db2.gz KPESPKLYUVJNAN-LBPRGKRZSA-N 0 1 295.745 2.828 20 10 CFCDMN COc1ccc(O)c(CN2CC(C)(CC(F)F)C2)c1 ZINC000843424725 631953738 /nfs/dbraw/zinc/95/37/38/631953738.db2.gz GRUGXPACDFMQHY-UHFFFAOYSA-N 0 1 271.307 2.878 20 10 CFCDMN COc1cccc(CN2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843435585 631959561 /nfs/dbraw/zinc/95/95/61/631959561.db2.gz PSEUECJNVURFAW-GFCCVEGCSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000844354419 632178166 /nfs/dbraw/zinc/17/81/66/632178166.db2.gz CWUJQZCEWCSHCC-UHFFFAOYSA-N 0 1 274.368 2.747 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815095240 632200662 /nfs/dbraw/zinc/20/06/62/632200662.db2.gz NOEHLNPHDPMCNF-KRWDZBQOSA-N 0 1 290.407 2.589 20 10 CFCDMN COC(=O)[C@]1(C)CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815095240 632200664 /nfs/dbraw/zinc/20/06/64/632200664.db2.gz NOEHLNPHDPMCNF-KRWDZBQOSA-N 0 1 290.407 2.589 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@]3(CC3(F)F)C2)c1O ZINC000844470724 632224711 /nfs/dbraw/zinc/22/47/11/632224711.db2.gz KXIWJDCKHNZIAZ-AWEZNQCLSA-N 0 1 299.292 2.965 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000844734246 632291971 /nfs/dbraw/zinc/29/19/71/632291971.db2.gz WDXUKVQVVFEURC-GXTWGEPZSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000844734246 632291977 /nfs/dbraw/zinc/29/19/77/632291977.db2.gz WDXUKVQVVFEURC-GXTWGEPZSA-N 0 1 286.375 2.940 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816488110 632470340 /nfs/dbraw/zinc/47/03/40/632470340.db2.gz IUOCBLGPFLUBNR-AWEZNQCLSA-N 0 1 285.343 2.540 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816488110 632470345 /nfs/dbraw/zinc/47/03/45/632470345.db2.gz IUOCBLGPFLUBNR-AWEZNQCLSA-N 0 1 285.343 2.540 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@]2(O)CCSC2)ccc2ccccc21 ZINC000816555966 632482779 /nfs/dbraw/zinc/48/27/79/632482779.db2.gz VLKXOWRCYXJLQC-INIZCTEOSA-N 0 1 289.400 2.503 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816574399 632487592 /nfs/dbraw/zinc/48/75/92/632487592.db2.gz GHSBAOVWUYMOBA-WBMJQRKESA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816574399 632487596 /nfs/dbraw/zinc/48/75/96/632487596.db2.gz GHSBAOVWUYMOBA-WBMJQRKESA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H](C(N)=O)C1 ZINC000816574581 632487717 /nfs/dbraw/zinc/48/77/17/632487717.db2.gz MRUCXJCVMKPOME-LRDDRELGSA-N 0 1 298.386 2.631 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H](C(N)=O)C1 ZINC000816574581 632487722 /nfs/dbraw/zinc/48/77/22/632487722.db2.gz MRUCXJCVMKPOME-LRDDRELGSA-N 0 1 298.386 2.631 20 10 CFCDMN Cc1noc([C@@H](C)NCc2cc(Cl)c(F)cc2O)n1 ZINC000816591156 632491605 /nfs/dbraw/zinc/49/16/05/632491605.db2.gz WKUOUJOENAAGPY-ZCFIWIBFSA-N 0 1 285.706 2.727 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000816608439 632492850 /nfs/dbraw/zinc/49/28/50/632492850.db2.gz ZPUHWKQPGPNPCW-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413254 632624054 /nfs/dbraw/zinc/62/40/54/632624054.db2.gz UWLZOERPYKOJTJ-ZJUUUORDSA-N 0 1 287.762 2.635 20 10 CFCDMN CCn1nccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846058429 632626267 /nfs/dbraw/zinc/62/62/67/632626267.db2.gz OUPBOMIGBQZULS-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN CCN1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000846096675 632630970 /nfs/dbraw/zinc/63/09/70/632630970.db2.gz JXLVSGGNDINWNI-CYBMUJFWSA-N 0 1 298.386 2.503 20 10 CFCDMN CCOc1ccc(O)c(CN2CCC[C@H](F)C2)c1 ZINC000846120819 632640252 /nfs/dbraw/zinc/64/02/52/632640252.db2.gz SQIRSRWHAGYRQZ-LBPRGKRZSA-N 0 1 253.317 2.725 20 10 CFCDMN CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846193753 632658531 /nfs/dbraw/zinc/65/85/31/632658531.db2.gz OBHPGCOBKHLLPJ-HIFRSBDPSA-N 0 1 299.798 2.628 20 10 CFCDMN Cc1cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccc1N(C)C ZINC000846276538 632681590 /nfs/dbraw/zinc/68/15/90/632681590.db2.gz VEXFMMRCCBRJJM-CYBMUJFWSA-N 0 1 290.407 2.746 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846280617 632682186 /nfs/dbraw/zinc/68/21/86/632682186.db2.gz OBYTZDRRLCOVGF-XJKSGUPXSA-N 0 1 290.407 2.828 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1N(C)C ZINC000846282192 632683691 /nfs/dbraw/zinc/68/36/91/632683691.db2.gz WOKGAHFYWYQBLN-ZFWWWQNUSA-N 0 1 290.407 2.604 20 10 CFCDMN CC[C@H](NCC[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951201 632751492 /nfs/dbraw/zinc/75/14/92/632751492.db2.gz BGWUDQHOMWGRMW-NSHDSACASA-N 0 1 277.195 2.959 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000857061269 635921720 /nfs/dbraw/zinc/92/17/20/635921720.db2.gz NIRUCONCBWIKLF-ONGXEEELSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1CO ZINC000857061555 635922198 /nfs/dbraw/zinc/92/21/98/635922198.db2.gz RYJJRPYCEYLHMU-GXSJLCMTSA-N 0 1 287.762 2.635 20 10 CFCDMN CN(C)c1ccc(CNCc2cnc(Cl)n2C)cc1F ZINC000848532427 633279765 /nfs/dbraw/zinc/27/97/65/633279765.db2.gz ICJAHFJOVSOJBW-UHFFFAOYSA-N 0 1 296.777 2.568 20 10 CFCDMN c1cc(CNCc2ccc3c(c2)CCO3)n(CC2CC2)n1 ZINC000850112569 633845309 /nfs/dbraw/zinc/84/53/09/633845309.db2.gz ZRFYNMRRESSEBW-UHFFFAOYSA-N 0 1 283.375 2.518 20 10 CFCDMN CCc1ccc(C)nc1NCc1cc2c(cc1O)OCO2 ZINC000850357023 633952798 /nfs/dbraw/zinc/95/27/98/633952798.db2.gz WIETXKUUZUEHKE-UHFFFAOYSA-N 0 1 286.331 2.999 20 10 CFCDMN CCCN1CC[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000850395432 633975795 /nfs/dbraw/zinc/97/57/95/633975795.db2.gz SDVVOKSVYNUXNH-GFCCVEGCSA-N 0 1 282.815 2.928 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000850486251 634014374 /nfs/dbraw/zinc/01/43/74/634014374.db2.gz AAEXMGISEJILKJ-ZANVPECISA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487990 634015851 /nfs/dbraw/zinc/01/58/51/634015851.db2.gz KNLJZPXRFYPQMV-TVQRCGJNSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850512828 634025374 /nfs/dbraw/zinc/02/53/74/634025374.db2.gz AHVUKRMVYCZYDW-ZJUUUORDSA-N 0 1 269.772 2.857 20 10 CFCDMN CC1CCC(NC(=O)CN(C)Cc2ccccc2O)CC1 ZINC000109771048 634233417 /nfs/dbraw/zinc/23/34/17/634233417.db2.gz AWOVKKIUWOESJH-UHFFFAOYSA-N 0 1 290.407 2.519 20 10 CFCDMN Oc1ccccc1CN(CCn1cccn1)Cc1ccco1 ZINC000111232841 634962568 /nfs/dbraw/zinc/96/25/68/634962568.db2.gz DFSCTDFLDQTMGI-UHFFFAOYSA-N 0 1 297.358 2.884 20 10 CFCDMN Cc1cccc2nc(CN(C)Cc3ccccc3O)cn21 ZINC000111235396 634963115 /nfs/dbraw/zinc/96/31/15/634963115.db2.gz NJJMFDYXRRXHDR-UHFFFAOYSA-N 0 1 281.359 2.980 20 10 CFCDMN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000194638142 636795833 /nfs/dbraw/zinc/79/58/33/636795833.db2.gz OCAHRIWGRWLERU-GFCCVEGCSA-N 0 1 257.761 2.542 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH+]1CC(C2CC2)C1 ZINC000862371306 637341401 /nfs/dbraw/zinc/34/14/01/637341401.db2.gz CSELSKCNTPVHHX-UHFFFAOYSA-N 0 1 282.181 2.997 20 10 CFCDMN CS[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862384719 637347400 /nfs/dbraw/zinc/34/74/00/637347400.db2.gz HZLKWKLOFHNYEP-LLVKDONJSA-N 0 1 286.391 2.968 20 10 CFCDMN CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1C ZINC000862386169 637348146 /nfs/dbraw/zinc/34/81/46/637348146.db2.gz LOAIFRGJAMQUAB-MEDUHNTESA-N 0 1 298.377 2.888 20 10 CFCDMN CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000862387882 637349291 /nfs/dbraw/zinc/34/92/91/637349291.db2.gz SWGUUUBSEFCPSE-JTQLQIEISA-N 0 1 257.761 2.638 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000862387882 637349298 /nfs/dbraw/zinc/34/92/98/637349298.db2.gz SWGUUUBSEFCPSE-JTQLQIEISA-N 0 1 257.761 2.638 20 10 CFCDMN C[C@@H]1[C@H](CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862395204 637355242 /nfs/dbraw/zinc/35/52/42/637355242.db2.gz XRZJPEOYKMGUEM-NEPJUHHUSA-N 0 1 298.377 2.624 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cnc(C)o2)cc1 ZINC000862402848 637361284 /nfs/dbraw/zinc/36/12/84/637361284.db2.gz LHFJZLNVMZXFLA-UHFFFAOYSA-N 0 1 289.379 2.560 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528991 637407705 /nfs/dbraw/zinc/40/77/05/637407705.db2.gz MYZYMWCAJIEGHA-XHDPSFHLSA-N 0 1 299.773 2.779 20 10 CFCDMN COC(=O)c1ccc(CN(C)Cc2ccccc2O)s1 ZINC000119064051 637477508 /nfs/dbraw/zinc/47/75/08/637477508.db2.gz DHMUGWIYSCWJBW-UHFFFAOYSA-N 0 1 291.372 2.872 20 10 CFCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cc(C)ccc1O ZINC000862758477 637482238 /nfs/dbraw/zinc/48/22/38/637482238.db2.gz ZXDIILDNENLUIY-UHFFFAOYSA-N 0 1 287.363 2.786 20 10 CFCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000863484991 637676409 /nfs/dbraw/zinc/67/64/09/637676409.db2.gz RCZZVQQZYNHMFF-KCJUWKMLSA-N 0 1 289.206 2.929 20 10 CFCDMN C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000863547293 637693016 /nfs/dbraw/zinc/69/30/16/637693016.db2.gz RVOHBEQUNHFPEN-VDDIYKPWSA-N 0 1 288.313 2.812 20 10 CFCDMN O=C1OCc2c1cccc2NCc1ccc(F)c(F)c1O ZINC000864012310 637835692 /nfs/dbraw/zinc/83/56/92/637835692.db2.gz FKWPHLJQBMQHTK-UHFFFAOYSA-N 0 1 291.253 2.953 20 10 CFCDMN CCn1ccnc1NCc1cc(F)c(N(C)C)cc1F ZINC000865293572 638260783 /nfs/dbraw/zinc/26/07/83/638260783.db2.gz MYJHVYFSLUORPH-UHFFFAOYSA-N 0 1 280.322 2.859 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cn(C2CC2)cn1 ZINC000865466556 638354818 /nfs/dbraw/zinc/35/48/18/638354818.db2.gz XSDHXIGKIGDXPI-UHFFFAOYSA-N 0 1 284.407 2.882 20 10 CFCDMN CCC[C@@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865662979 638496463 /nfs/dbraw/zinc/49/64/63/638496463.db2.gz IPKKILHQYXGKIN-NSHDSACASA-N 0 1 271.788 2.995 20 10 CFCDMN CC[C@]1(C)CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000190349910 650428091 /nfs/dbraw/zinc/42/80/91/650428091.db2.gz IZRGOISXVXDHAO-MRXNPFEDSA-N 0 1 279.380 2.710 20 10 CFCDMN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442049 638821577 /nfs/dbraw/zinc/82/15/77/638821577.db2.gz CMRFIWAMGSGXHL-CPCISQLKSA-N 0 1 279.714 2.712 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000866489507 638829839 /nfs/dbraw/zinc/82/98/39/638829839.db2.gz QECKDQLBQPTZBD-OBJOEFQTSA-N 0 1 269.772 3.000 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccon1 ZINC000873132408 642023258 /nfs/dbraw/zinc/02/32/58/642023258.db2.gz SDVUQCIXEGGKCX-CYBMUJFWSA-N 0 1 273.380 2.770 20 10 CFCDMN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000194107776 650718171 /nfs/dbraw/zinc/71/81/71/650718171.db2.gz HECJVXLVDQUAMV-UHFFFAOYSA-N 0 1 281.308 2.641 20 10 CFCDMN CC[C@H]([NH2+]CCOC)c1cc(Br)ccc1[O-] ZINC000019881548 642154095 /nfs/dbraw/zinc/15/40/95/642154095.db2.gz SPLVTWAEMZTXRV-NSHDSACASA-N 0 1 288.185 2.842 20 10 CFCDMN CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019960361 642242606 /nfs/dbraw/zinc/24/26/06/642242606.db2.gz ZRPPHFQDZVGHJI-ZDUSSCGKSA-N 0 1 268.788 2.620 20 10 CFCDMN CC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000084481458 650775656 /nfs/dbraw/zinc/77/56/56/650775656.db2.gz PCIPIUFDKWVFAO-UHFFFAOYSA-N 0 1 286.331 2.538 20 10 CFCDMN CCN(Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000084481458 650775659 /nfs/dbraw/zinc/77/56/59/650775659.db2.gz PCIPIUFDKWVFAO-UHFFFAOYSA-N 0 1 286.331 2.538 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000086755448 650797269 /nfs/dbraw/zinc/79/72/69/650797269.db2.gz CYNUWJWQMAWJFL-ZDUSSCGKSA-N 0 1 293.363 2.620 20 10 CFCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876751073 642994676 /nfs/dbraw/zinc/99/46/76/642994676.db2.gz UGAVRKVZALBVCX-BDAKNGLRSA-N 0 1 273.348 2.996 20 10 CFCDMN Cc1ccc(CNCc2nccn2C(F)F)c(O)c1 ZINC000876979790 643091220 /nfs/dbraw/zinc/09/12/20/643091220.db2.gz ADIUENGNHQVRJO-UHFFFAOYSA-N 0 1 267.279 2.582 20 10 CFCDMN Cc1ccc(CNCc2nccn2CC(F)(F)F)c(O)c1 ZINC000877004051 643100456 /nfs/dbraw/zinc/10/04/56/643100456.db2.gz GEPPRWUFDMIQBT-UHFFFAOYSA-N 0 1 299.296 2.749 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1F ZINC000877166177 643184865 /nfs/dbraw/zinc/18/48/65/643184865.db2.gz YAMCDOVQXSYAOH-KCJUWKMLSA-N 0 1 259.271 2.850 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1F ZINC000877166177 643184870 /nfs/dbraw/zinc/18/48/70/643184870.db2.gz YAMCDOVQXSYAOH-KCJUWKMLSA-N 0 1 259.271 2.850 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1ccc(C)cc1O ZINC000877187860 643196075 /nfs/dbraw/zinc/19/60/75/643196075.db2.gz KKLBYIPCYZZKQW-AWEZNQCLSA-N 0 1 277.364 2.618 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000245571778 650824353 /nfs/dbraw/zinc/82/43/53/650824353.db2.gz YADMTBDGBFZXIE-CJNGLKHVSA-N 0 1 262.397 2.752 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ccc(Cl)nn2)c1 ZINC000877532416 643336804 /nfs/dbraw/zinc/33/68/04/643336804.db2.gz FZIKGDJOWNKONX-VIFPVBQESA-N 0 1 293.754 2.695 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877566320 643365463 /nfs/dbraw/zinc/36/54/63/643365463.db2.gz XXGIYBVGWBSXAB-CABZTGNLSA-N 0 1 271.307 2.527 20 10 CFCDMN [O-]c1c(C[N@H+]2CCSC[C@H]2C2CC2)ccc(F)c1F ZINC000877568401 643367673 /nfs/dbraw/zinc/36/76/73/643367673.db2.gz NCFWTCUTGCJGBG-LBPRGKRZSA-N 0 1 285.359 2.998 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877577109 643374653 /nfs/dbraw/zinc/37/46/53/643374653.db2.gz UKGZWWKIECXJGL-NSHDSACASA-N 0 1 285.334 2.919 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc(F)c1F ZINC000877588398 643383028 /nfs/dbraw/zinc/38/30/28/643383028.db2.gz ZXZYSZAMBCSNFH-CYBMUJFWSA-N 0 1 283.318 2.671 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc(F)c1F ZINC000877588398 643383035 /nfs/dbraw/zinc/38/30/35/643383035.db2.gz ZXZYSZAMBCSNFH-CYBMUJFWSA-N 0 1 283.318 2.671 20 10 CFCDMN 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CFCDMN Oc1ccc(Cl)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000093611808 650943413 /nfs/dbraw/zinc/94/34/13/650943413.db2.gz LRJKPJRTIWZSNV-LLVKDONJSA-N 0 1 295.688 2.545 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC(F)(F)F)c(Cl)c1 ZINC000883076421 645594000 /nfs/dbraw/zinc/59/40/00/645594000.db2.gz CMAZFNMMNLMFBG-QMMMGPOBSA-N 0 1 297.704 2.757 20 10 CFCDMN C/C=C\C[C@@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883090506 645601365 /nfs/dbraw/zinc/60/13/65/645601365.db2.gz NPVRZYNEVUIDOT-BYCRGOAPSA-N 0 1 269.772 2.771 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cn(C3CC3)cn2)c1 ZINC000883156252 645630720 /nfs/dbraw/zinc/63/07/20/645630720.db2.gz IWYUUEPJPZHMML-LLVKDONJSA-N 0 1 287.363 2.783 20 10 CFCDMN CO[C@H]1C[C@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000883261860 645706844 /nfs/dbraw/zinc/70/68/44/645706844.db2.gz OREJSBBHCHUYCI-XYPYZODXSA-N 0 1 269.772 2.869 20 10 CFCDMN CCN1CCC([N@@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC000131564574 645753606 /nfs/dbraw/zinc/75/36/06/645753606.db2.gz BQLHZIPKBQQDFY-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132664046 645948315 /nfs/dbraw/zinc/94/83/15/645948315.db2.gz CIPPWTCJCATARA-SECBINFHSA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc2ccccc2c1[O-] ZINC000133039267 646010351 /nfs/dbraw/zinc/01/03/51/646010351.db2.gz WYFIOBQBWOZXPZ-GXTWGEPZSA-N 0 1 298.386 2.817 20 10 CFCDMN [O-]c1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133951772 646258182 /nfs/dbraw/zinc/25/81/82/646258182.db2.gz JUFWVXWLMROSAX-LBPRGKRZSA-N 0 1 280.799 2.716 20 10 CFCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccnnc1 ZINC000924862158 648062689 /nfs/dbraw/zinc/06/26/89/648062689.db2.gz PAWSQDKTUMNPNN-NSHDSACASA-N 0 1 274.343 2.533 20 10 CFCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1c(O)cccc1F ZINC000928704558 648944024 /nfs/dbraw/zinc/94/40/24/648944024.db2.gz BVZLZXGHQNKHAX-UHFFFAOYSA-N 0 1 291.326 2.616 20 10 CFCDMN C[C@H]1COCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461889 770666949 /nfs/dbraw/zinc/66/69/49/770666949.db2.gz 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/nfs/dbraw/zinc/49/94/29/777499429.db2.gz QBOHPXUAESUDQH-HNNXBMFYSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001232267393 777499437 /nfs/dbraw/zinc/49/94/37/777499437.db2.gz BCCVFUKFHSOWLP-PEXQALLHSA-N 0 1 285.746 2.987 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001232267393 777499439 /nfs/dbraw/zinc/49/94/39/777499439.db2.gz BCCVFUKFHSOWLP-PEXQALLHSA-N 0 1 285.746 2.987 20 10 CFCDMN COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001232266405 777499650 /nfs/dbraw/zinc/49/96/50/777499650.db2.gz NQJSZSCQCHLMEN-GXFFZTMASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001232266405 777499652 /nfs/dbraw/zinc/49/96/52/777499652.db2.gz NQJSZSCQCHLMEN-GXFFZTMASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001232266405 777499654 /nfs/dbraw/zinc/49/96/54/777499654.db2.gz NQJSZSCQCHLMEN-GXFFZTMASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001232267926 777501104 /nfs/dbraw/zinc/50/11/04/777501104.db2.gz KIAGIDBCLFAIDD-RTCCRHLQSA-N 0 1 285.746 2.702 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001232267926 777501108 /nfs/dbraw/zinc/50/11/08/777501108.db2.gz KIAGIDBCLFAIDD-RTCCRHLQSA-N 0 1 285.746 2.702 20 10 CFCDMN C[N@@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073633 777787558 /nfs/dbraw/zinc/78/75/58/777787558.db2.gz AXBOMCKZXZUPAC-UHFFFAOYSA-N 0 1 264.275 2.697 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc(F)c1F ZINC001233077634 777789673 /nfs/dbraw/zinc/78/96/73/777789673.db2.gz UTIFXYIDOAXTFE-ZDUSSCGKSA-N 0 1 291.301 2.798 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2cnccn2)ccc(F)c1F ZINC001233077634 777789676 /nfs/dbraw/zinc/78/96/76/777789676.db2.gz UTIFXYIDOAXTFE-ZDUSSCGKSA-N 0 1 291.301 2.798 20 10 CFCDMN CC[N@@H+](CCN1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233078165 777790202 /nfs/dbraw/zinc/79/02/02/777790202.db2.gz JEFRHPMXHXWKKO-UHFFFAOYSA-N 0 1 298.377 2.978 20 10 CFCDMN CCN(CC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233078165 777790209 /nfs/dbraw/zinc/79/02/09/777790209.db2.gz JEFRHPMXHXWKKO-UHFFFAOYSA-N 0 1 298.377 2.978 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001233288081 777870904 /nfs/dbraw/zinc/87/09/04/777870904.db2.gz VASHECYYYGQRBY-GWCFXTLKSA-N 0 1 299.798 2.647 20 10 CFCDMN C[C@@]1(CO)CCC[N@@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332205 777887761 /nfs/dbraw/zinc/88/77/61/777887761.db2.gz CDOCNSWKDDLLBZ-OAHLLOKOSA-N 0 1 285.334 2.655 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001233334706 777893706 /nfs/dbraw/zinc/89/37/06/777893706.db2.gz QNCIRPFDKWZSAO-SECBINFHSA-N 0 1 259.271 2.852 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001233335894 777897102 /nfs/dbraw/zinc/89/71/02/777897102.db2.gz PYQOMBFRNIJXGE-LBPRGKRZSA-N 0 1 297.345 2.919 20 10 CFCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415867 777942710 /nfs/dbraw/zinc/94/27/10/777942710.db2.gz LHTLBUHKHRFQOM-KOLCDFICSA-N 0 1 289.297 2.614 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415673 777944143 /nfs/dbraw/zinc/94/41/43/777944143.db2.gz FFQYQACFHDSXPP-KOLCDFICSA-N 0 1 289.297 2.756 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]1O ZINC001233452296 777957518 /nfs/dbraw/zinc/95/75/18/777957518.db2.gz QVAWMRRNXQPYJO-NOZJJQNGSA-N 0 1 289.297 2.614 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]1O ZINC001233452296 777957525 /nfs/dbraw/zinc/95/75/25/777957525.db2.gz QVAWMRRNXQPYJO-NOZJJQNGSA-N 0 1 289.297 2.614 20 10 CFCDMN CCN(Cc1cc(O)c(O)cc1O)Cc1ccccc1F ZINC001233486489 777964214 /nfs/dbraw/zinc/96/42/14/777964214.db2.gz OLZHGFXJGNVAMZ-UHFFFAOYSA-N 0 1 291.322 2.965 20 10 CFCDMN [O-]c1ccc(F)c(F)c1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235176740 778404731 /nfs/dbraw/zinc/40/47/31/778404731.db2.gz FKKMLGYYSMTTGI-MRXNPFEDSA-N 0 1 296.361 2.779 20 10 CFCDMN Oc1c(Br)cc(F)cc1CN1CC[C@@H](F)C1 ZINC001235297710 778435640 /nfs/dbraw/zinc/43/56/40/778435640.db2.gz POJFXXYYHXCDMT-MRVPVSSYSA-N 0 1 292.123 2.838 20 10 CFCDMN COC(=O)[C@@H]1CCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235674892 778532747 /nfs/dbraw/zinc/53/27/47/778532747.db2.gz IJXZHBVHWIQPQQ-AWEZNQCLSA-N 0 1 291.391 2.827 20 10 CFCDMN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H](C)[NH2+]1 ZINC001235901344 778600525 /nfs/dbraw/zinc/60/05/25/778600525.db2.gz KRJIVWDLNNTXDG-DTORHVGOSA-N 0 1 289.206 2.881 20 10 CFCDMN [NH3+][C@]12CC[C@H]1CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001235995033 778646450 /nfs/dbraw/zinc/64/64/50/778646450.db2.gz UYWACBHNCWAMBP-SDBXPKJASA-N 0 1 287.190 2.622 20 10 CFCDMN C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCC[NH2+]1 ZINC001236100635 778692921 /nfs/dbraw/zinc/69/29/21/778692921.db2.gz LTIYIBNPMOIHEC-VIFPVBQESA-N 0 1 289.206 2.883 20 10 CFCDMN CN(Cc1c([O-])ccc(F)c1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236206061 778734935 /nfs/dbraw/zinc/73/49/35/778734935.db2.gz ILZMLUPPNVUYPJ-CQSZACIVSA-N 0 1 286.778 2.759 20 10 CFCDMN COc1cc([O-])c(CN(C)[C@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC001236207851 778735981 /nfs/dbraw/zinc/73/59/81/778735981.db2.gz RSMHTFPXWMQISY-OAHLLOKOSA-N 0 1 298.814 2.628 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241904 778751261 /nfs/dbraw/zinc/75/12/61/778751261.db2.gz TYXZIQQZXFYSFU-NSHDSACASA-N 0 1 298.789 2.901 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1Cl ZINC001232266542 778915807 /nfs/dbraw/zinc/91/58/07/778915807.db2.gz OTSCQMBTSKGXLY-HNNXBMFYSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1Cl ZINC001232266542 778915811 /nfs/dbraw/zinc/91/58/11/778915811.db2.gz OTSCQMBTSKGXLY-HNNXBMFYSA-N 0 1 297.782 2.667 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792040 778939664 /nfs/dbraw/zinc/93/96/64/778939664.db2.gz ARBFOHRRSPIAQO-SECBINFHSA-N 0 1 276.163 2.920 20 10 CFCDMN CCc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001236792827 778939916 /nfs/dbraw/zinc/93/99/16/778939916.db2.gz RUIIFCPSLBYQKD-HOCLYGCPSA-N 0 1 261.365 2.565 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001236797557 778940517 /nfs/dbraw/zinc/94/05/17/778940517.db2.gz GKGGNRMEKRHSAK-OAHLLOKOSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001236797557 778940521 /nfs/dbraw/zinc/94/05/21/778940521.db2.gz GKGGNRMEKRHSAK-OAHLLOKOSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)CC2CC2)c(Cl)c1 ZINC001236797574 778941186 /nfs/dbraw/zinc/94/11/86/778941186.db2.gz HBYBYHANHPHWFN-UHFFFAOYSA-N 0 1 255.745 2.896 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)CC2CC2)c(Cl)c1 ZINC001236797574 778941189 /nfs/dbraw/zinc/94/11/89/778941189.db2.gz HBYBYHANHPHWFN-UHFFFAOYSA-N 0 1 255.745 2.896 20 10 CFCDMN COc1cc(O)c(CN2CC3(C2)CCCOC3)c(Cl)c1 ZINC001236797670 778941241 /nfs/dbraw/zinc/94/12/41/778941241.db2.gz HZHWVMIEATZEDF-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(Cl)c1 ZINC001236800471 778942989 /nfs/dbraw/zinc/94/29/89/778942989.db2.gz ZKQJEXPCZFLDMN-IINYFYTJSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(Cl)c1 ZINC001236800471 778942998 /nfs/dbraw/zinc/94/29/98/778942998.db2.gz ZKQJEXPCZFLDMN-IINYFYTJSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c([O-])c1Cl ZINC001236801073 778943063 /nfs/dbraw/zinc/94/30/63/778943063.db2.gz FGRGXUVDZKQVNB-HNNXBMFYSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1Cl ZINC001236801992 778944396 /nfs/dbraw/zinc/94/43/96/778944396.db2.gz MIICDLCVQCKSIS-CMPLNLGQSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(CN2CC[C@H](F)C2)c(O)c1Cl ZINC001236803432 778944854 /nfs/dbraw/zinc/94/48/54/778944854.db2.gz UDJOIMXBHJRBAZ-VIFPVBQESA-N 0 1 259.708 2.598 20 10 CFCDMN COC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236802397 778945013 /nfs/dbraw/zinc/94/50/13/778945013.db2.gz PJTNFSYXYFAFBG-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1ccc(CN2CCOC(C)(C)C2)c(O)c1Cl ZINC001236801466 778945580 /nfs/dbraw/zinc/94/55/80/778945580.db2.gz IXKLDKKKLPMZQT-UHFFFAOYSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc(C)c(CN2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236809651 778948898 /nfs/dbraw/zinc/94/88/98/778948898.db2.gz ZJIJYYNFLJOSQZ-HUUCEWRRSA-N 0 1 285.334 2.981 20 10 CFCDMN COc1ccc(CN2CCC[C@H]2C(C)=O)c(O)c1Cl ZINC001236818927 778952102 /nfs/dbraw/zinc/95/21/02/778952102.db2.gz QLYHFUWYLQUYCM-NSHDSACASA-N 0 1 283.755 2.608 20 10 CFCDMN OC[C@H]1CCC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236826465 778954745 /nfs/dbraw/zinc/95/47/45/778954745.db2.gz KFQLXLAAYZTGSJ-OAHLLOKOSA-N 0 1 257.333 2.502 20 10 CFCDMN CC(=O)N1CCN(Cc2cc3ccccc3cc2O)[C@@H](C)C1 ZINC001236834244 778959044 /nfs/dbraw/zinc/95/90/44/778959044.db2.gz VBJBNOLFAXARNX-ZDUSSCGKSA-N 0 1 298.386 2.598 20 10 CFCDMN CN(C)c1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001232835635 778982518 /nfs/dbraw/zinc/98/25/18/778982518.db2.gz DUMZTWIGTSDREM-LSDHHAIUSA-N 0 1 284.350 2.730 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC001237040461 778996107 /nfs/dbraw/zinc/99/61/07/778996107.db2.gz DFTRUCIEJLVISL-YOEHRIQHSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(C[N@@H+](CCOC)C(C)C)c(O)c1 ZINC001237041120 778996240 /nfs/dbraw/zinc/99/62/40/778996240.db2.gz FHWBJRABLAIKPF-UHFFFAOYSA-N 0 1 267.369 2.648 20 10 CFCDMN CC(C)c1ccc(CN2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001237045442 778997152 /nfs/dbraw/zinc/99/71/52/778997152.db2.gz KRBAQNPBXUWAPL-IUODEOHRSA-N 0 1 281.371 2.668 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@@H]1O ZINC001237121388 779016823 /nfs/dbraw/zinc/01/68/23/779016823.db2.gz LZTYJYWSXYBOOE-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@@H]1O ZINC001237121388 779016830 /nfs/dbraw/zinc/01/68/30/779016830.db2.gz LZTYJYWSXYBOOE-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119156 779016850 /nfs/dbraw/zinc/01/68/50/779016850.db2.gz BJEJIBRCGGNNQF-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119156 779016858 /nfs/dbraw/zinc/01/68/58/779016858.db2.gz BJEJIBRCGGNNQF-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237120073 779017349 /nfs/dbraw/zinc/01/73/49/779017349.db2.gz ILSLWYOEWWNAKK-RKDXNWHRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237120073 779017356 /nfs/dbraw/zinc/01/73/56/779017356.db2.gz ILSLWYOEWWNAKK-RKDXNWHRSA-N 0 1 273.735 2.530 20 10 CFCDMN CC[N@H+](CCn1cccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237126443 779021002 /nfs/dbraw/zinc/02/10/02/779021002.db2.gz LEEVKKZFCJJJKQ-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN CC[N@@H+](CCn1cccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237126443 779021006 /nfs/dbraw/zinc/02/10/06/779021006.db2.gz LEEVKKZFCJJJKQ-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN Oc1ccc(C(F)(F)F)cc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001237141572 779024109 /nfs/dbraw/zinc/02/41/09/779024109.db2.gz YJMURIRPTRHBAE-TVQRCGJNSA-N 0 1 287.281 2.632 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233415956 779041305 /nfs/dbraw/zinc/04/13/05/779041305.db2.gz PZBXNXVNFZBHFF-BXKDBHETSA-N 0 1 289.297 2.614 20 10 CFCDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c(C)cccc1O ZINC001237491090 779119136 /nfs/dbraw/zinc/11/91/36/779119136.db2.gz GQDHDBZAUQTFRV-NHYWBVRUSA-N 0 1 279.380 2.720 20 10 CFCDMN C[C@]1(O)CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617991 779144662 /nfs/dbraw/zinc/14/46/62/779144662.db2.gz WMJSXBRZSKCDPQ-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)CCC1=O ZINC001237616504 779144883 /nfs/dbraw/zinc/14/48/83/779144883.db2.gz FJLQHRNHEQPACC-VIFPVBQESA-N 0 1 285.746 2.986 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)C2(C)COC2)c1O ZINC001237684916 779161413 /nfs/dbraw/zinc/16/14/13/779161413.db2.gz CKCUWQWDELKEAF-UHFFFAOYSA-N 0 1 255.745 2.575 20 10 CFCDMN Oc1cccc2c1C[N@@H+](Cc1cccc3c1OCC3)CC2 ZINC001237754961 779175945 /nfs/dbraw/zinc/17/59/45/779175945.db2.gz OETGZSRANZBFNA-UHFFFAOYSA-N 0 1 281.355 2.885 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237802803 779183484 /nfs/dbraw/zinc/18/34/84/779183484.db2.gz POVYNZSHZGEBQM-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807797 779184637 /nfs/dbraw/zinc/18/46/37/779184637.db2.gz LZWUADJQHHSHFW-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@@H]1O ZINC001237807781 779184669 /nfs/dbraw/zinc/18/46/69/779184669.db2.gz LYGBRXBWXVPRDR-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1O ZINC001237933447 779209694 /nfs/dbraw/zinc/20/96/94/779209694.db2.gz BWLWMRFWIWFWSJ-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001237933620 779209761 /nfs/dbraw/zinc/20/97/61/779209761.db2.gz FBGSBXBYYVTNJL-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN Cc1cc(F)cc(CN(C)Cc2cccnc2)c1O ZINC001238059063 779240785 /nfs/dbraw/zinc/24/07/85/779240785.db2.gz ZSLITJHAUMFMLR-UHFFFAOYSA-N 0 1 260.312 2.867 20 10 CFCDMN Cc1cc(F)cc(C[N@H+]2CCC[C@@]23CCOC3)c1O ZINC001238071388 779246982 /nfs/dbraw/zinc/24/69/82/779246982.db2.gz WKMGFVHSNMWXFK-HNNXBMFYSA-N 0 1 265.328 2.595 20 10 CFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)[C@@H]1C ZINC001238071425 779247085 /nfs/dbraw/zinc/24/70/85/779247085.db2.gz XGBDOKDVUOTCAS-RISCZKNCSA-N 0 1 295.354 2.613 20 10 CFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)[C@H]1C ZINC001238071424 779247206 /nfs/dbraw/zinc/24/72/06/779247206.db2.gz XGBDOKDVUOTCAS-FZMZJTMJSA-N 0 1 295.354 2.613 20 10 CFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cncnc1C ZINC001238176749 779271550 /nfs/dbraw/zinc/27/15/50/779271550.db2.gz DQILUOVNFYSFHM-UHFFFAOYSA-N 0 1 284.407 2.873 20 10 CFCDMN CCC(F)(F)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703367553 779439868 /nfs/dbraw/zinc/43/98/68/779439868.db2.gz SOBGKNNKLRDDFG-UHFFFAOYSA-N 0 1 251.223 2.805 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]1(C)O ZINC001237617157 779700467 /nfs/dbraw/zinc/70/04/67/779700467.db2.gz LXQJBKCWEPLFSS-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000703229159 780999667 /nfs/dbraw/zinc/99/96/67/780999667.db2.gz HXASTMSQGYQWFP-MRVPVSSYSA-N 0 1 268.263 2.818 20 10 CFCDMN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540713 781027672 /nfs/dbraw/zinc/02/76/72/781027672.db2.gz JYFWEEVIYKKWHL-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540713 781027679 /nfs/dbraw/zinc/02/76/79/781027679.db2.gz JYFWEEVIYKKWHL-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703592924 781036281 /nfs/dbraw/zinc/03/62/81/781036281.db2.gz JVKFDWMGDSPMOQ-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN C[C@@H](CF)NCc1c(O)cccc1Br ZINC000706813115 781203766 /nfs/dbraw/zinc/20/37/66/781203766.db2.gz RXJKEPRUWCTWAE-ZETCQYMHSA-N 0 1 262.122 2.602 20 10 CFCDMN C[C@@H](CF)[NH2+]Cc1c([O-])cccc1Br ZINC000706813115 781203769 /nfs/dbraw/zinc/20/37/69/781203769.db2.gz RXJKEPRUWCTWAE-ZETCQYMHSA-N 0 1 262.122 2.602 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]C1CC=CC1 ZINC000706829310 781205109 /nfs/dbraw/zinc/20/51/09/781205109.db2.gz WNJURXUGNGPKHU-UHFFFAOYSA-N 0 1 268.154 2.963 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CSC1 ZINC000706858286 781206271 /nfs/dbraw/zinc/20/62/71/781206271.db2.gz RMBQRXIZNRDGOC-UHFFFAOYSA-N 0 1 288.210 2.607 20 10 CFCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414402 781272775 /nfs/dbraw/zinc/27/27/75/781272775.db2.gz RUAGMZQLSGSMJC-CQSZACIVSA-N 0 1 271.307 2.671 20 10 CFCDMN CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709018547 781286519 /nfs/dbraw/zinc/28/65/19/781286519.db2.gz BSYFADLISZIWFK-LBPRGKRZSA-N 0 1 285.334 2.917 20 10 CFCDMN CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709018547 781286521 /nfs/dbraw/zinc/28/65/21/781286521.db2.gz BSYFADLISZIWFK-LBPRGKRZSA-N 0 1 285.334 2.917 20 10 CFCDMN CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294222946 540132634 /nfs/dbraw/zinc/13/26/34/540132634.db2.gz YYSRSWSWAGXHCN-QZTJIDSGSA-N 0 1 286.419 2.896 20 10 CFCDMN C[N@@H+](CCCCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294534720 199076543 /nfs/dbraw/zinc/07/65/43/199076543.db2.gz DHTZZJBZOJYYLS-UHFFFAOYSA-N 0 1 275.751 2.779 20 10 CFCDMN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185638431 299323069 /nfs/dbraw/zinc/32/30/69/299323069.db2.gz PIUWLDVPJHJJJX-TVQRCGJNSA-N 0 1 287.812 2.564 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273441275 296127924 /nfs/dbraw/zinc/12/79/24/296127924.db2.gz YMEXFXZYIQJDRD-LHLIQPBNSA-N 0 1 283.677 2.619 20 10 CFCDMN CCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000378731179 781964391 /nfs/dbraw/zinc/96/43/91/781964391.db2.gz DDOABPCCPDJBBN-LBPRGKRZSA-N 0 1 257.761 2.950 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC3(CCC3)C2)c1 ZINC000093640550 375279653 /nfs/dbraw/zinc/27/96/53/375279653.db2.gz XPIQYNSDBVTXMC-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN Oc1ccccc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000119486839 376422711 /nfs/dbraw/zinc/42/27/11/376422711.db2.gz FVPPOVRHSWWGAJ-QGZVFWFLSA-N 0 1 298.386 2.968 20 10 CFCDMN Cc1cccc(CNCC[N@@H+](C)C2CCCC2)c1O ZINC000124799215 377090125 /nfs/dbraw/zinc/09/01/25/377090125.db2.gz RZHYCFHNESWJFP-UHFFFAOYSA-N 0 1 262.397 2.665 20 10 CFCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000125834227 377196779 /nfs/dbraw/zinc/19/67/79/377196779.db2.gz KJZOUUJVCGGMAK-MNOVXSKESA-N 0 1 297.782 2.867 20 10 CFCDMN COc1cccc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000129672214 377458896 /nfs/dbraw/zinc/45/88/96/377458896.db2.gz ODKWNKFJKVBDRJ-UHFFFAOYSA-N 0 1 279.380 2.649 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000133118184 377906246 /nfs/dbraw/zinc/90/62/46/377906246.db2.gz UGTBOTBUIDVXED-GFCCVEGCSA-N 0 1 279.380 2.790 20 10 CFCDMN COCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134903616 378060920 /nfs/dbraw/zinc/06/09/20/378060920.db2.gz QIRGIAUTAMRMMZ-VIFPVBQESA-N 0 1 288.185 2.842 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134904781 378062758 /nfs/dbraw/zinc/06/27/58/378062758.db2.gz BCYUYHDXAMCGJO-SCZZXKLOSA-N 0 1 288.185 2.576 20 10 CFCDMN CCCC[C@@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000154548467 378578502 /nfs/dbraw/zinc/57/85/02/378578502.db2.gz CAGWMIHMDBPXQU-GFCCVEGCSA-N 0 1 285.771 2.867 20 10 CFCDMN CCOc1ccc(O)c(CN[C@H](COC)c2ccco2)c1 ZINC000177574437 380355141 /nfs/dbraw/zinc/35/51/41/380355141.db2.gz WZQREOSNSVEZFH-CQSZACIVSA-N 0 1 291.347 2.861 20 10 CFCDMN CCOC(=O)C[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000179800230 380582335 /nfs/dbraw/zinc/58/23/35/380582335.db2.gz NUUZACUQFZJBTL-UHFFFAOYSA-N 0 1 285.771 2.819 20 10 CFCDMN CCOC(=O)C[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000179800230 380582339 /nfs/dbraw/zinc/58/23/39/380582339.db2.gz NUUZACUQFZJBTL-UHFFFAOYSA-N 0 1 285.771 2.819 20 10 CFCDMN CCOC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1O ZINC000179576466 380559981 /nfs/dbraw/zinc/55/99/81/380559981.db2.gz GOXVRDPDDLZOLC-AWEZNQCLSA-N 0 1 277.364 2.618 20 10 CFCDMN CC[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000179975052 380605434 /nfs/dbraw/zinc/60/54/34/380605434.db2.gz MTHIYOSPCQVTIL-ZDUSSCGKSA-N 0 1 253.317 2.532 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000180426608 380656331 /nfs/dbraw/zinc/65/63/31/380656331.db2.gz JBLBNIGTCWJYCK-ZDUSSCGKSA-N 0 1 267.756 2.656 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccnc2)c1[O-] ZINC000181647312 380851818 /nfs/dbraw/zinc/85/18/18/380851818.db2.gz QHUUGFUOCUJILY-JTQLQIEISA-N 0 1 288.322 2.980 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cnccc2OC)c1 ZINC000287940404 380976714 /nfs/dbraw/zinc/97/67/14/380976714.db2.gz XLEDMXISNNAASB-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN COC[C@H](NCc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000182529483 381106253 /nfs/dbraw/zinc/10/62/53/381106253.db2.gz CYJVKKYYNAUUJZ-AWEZNQCLSA-N 0 1 291.347 2.780 20 10 CFCDMN CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295933671 381165280 /nfs/dbraw/zinc/16/52/80/381165280.db2.gz KNORESVRSQRWHF-CYBMUJFWSA-N 0 1 262.397 2.557 20 10 CFCDMN COc1cccc(CN2CCC[C@@](C)(F)C2)c1O ZINC000296015090 381210333 /nfs/dbraw/zinc/21/03/33/381210333.db2.gz LYNATCVLBCKPQC-CQSZACIVSA-N 0 1 253.317 2.725 20 10 CFCDMN Cc1ccc(O)c(C[N@@H+](C)CCc2ccncc2)c1 ZINC000183757719 381315730 /nfs/dbraw/zinc/31/57/30/381315730.db2.gz JSEDNZWHKNODQP-UHFFFAOYSA-N 0 1 256.349 2.770 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000185141605 381544974 /nfs/dbraw/zinc/54/49/74/381544974.db2.gz RWZDYFLWIYEPHS-JQWIXIFHSA-N 0 1 268.788 2.790 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000371527843 381652726 /nfs/dbraw/zinc/65/27/26/381652726.db2.gz JEVDKNUJPGYJAE-KBPBESRZSA-N 0 1 265.328 2.675 20 10 CFCDMN CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185606310 381678870 /nfs/dbraw/zinc/67/88/70/381678870.db2.gz AJKXGDYVPVZJPO-VXGBXAGGSA-N 0 1 269.360 2.981 20 10 CFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185787670 381734465 /nfs/dbraw/zinc/73/44/65/381734465.db2.gz GDCRBVZIOBKLKX-ZYHUDNBSSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185801346 381737985 /nfs/dbraw/zinc/73/79/85/381737985.db2.gz QEACQYPIGAZQOI-MWLCHTKSSA-N 0 1 257.761 2.857 20 10 CFCDMN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000298775882 381746968 /nfs/dbraw/zinc/74/69/68/381746968.db2.gz HLIOIVOSJIRLMC-UHFFFAOYSA-N 0 1 298.390 2.589 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc2ccccc2c1[O-] ZINC000186220625 381856039 /nfs/dbraw/zinc/85/60/39/381856039.db2.gz LANISHOKKGESOC-LLVKDONJSA-N 0 1 286.375 2.708 20 10 CFCDMN Cc1cccc(CN[C@H](CCO)c2ccco2)c1O ZINC000187528703 382203135 /nfs/dbraw/zinc/20/31/35/382203135.db2.gz PXSDQXUZGSJLMV-CYBMUJFWSA-N 0 1 261.321 2.507 20 10 CFCDMN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000377120583 382219741 /nfs/dbraw/zinc/21/97/41/382219741.db2.gz PGNSCQWPWBZZOA-CYBMUJFWSA-N 0 1 291.782 2.946 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000187670299 382240387 /nfs/dbraw/zinc/24/03/87/382240387.db2.gz OSCDOCYNOHCZIZ-HJIKLVIJSA-N 0 1 269.772 2.856 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364610819 382337497 /nfs/dbraw/zinc/33/74/97/382337497.db2.gz XAJWZVAFINLYKL-LBPRGKRZSA-N 0 1 292.335 2.683 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378127075 382402960 /nfs/dbraw/zinc/40/29/60/382402960.db2.gz FYKVTCXUFRWJKM-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN C[N@@H+]1CC[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@H]21 ZINC000378472367 382467952 /nfs/dbraw/zinc/46/79/52/382467952.db2.gz IMPCXJHQZOXQMZ-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@H]21 ZINC000378472367 382467954 /nfs/dbraw/zinc/46/79/54/382467954.db2.gz IMPCXJHQZOXQMZ-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294257694 382482205 /nfs/dbraw/zinc/48/22/05/382482205.db2.gz QNFAGWRKHQHEDJ-CQSZACIVSA-N 0 1 269.772 2.904 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274047 382605156 /nfs/dbraw/zinc/60/51/56/382605156.db2.gz HWOJMMUSYAMPOM-MWLCHTKSSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274037 382605602 /nfs/dbraw/zinc/60/56/02/382605602.db2.gz HWOJMMUSYAMPOM-GXSJLCMTSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000268096272 384530079 /nfs/dbraw/zinc/53/00/79/384530079.db2.gz CKYJWACKTWZPFC-YGRLFVJLSA-N 0 1 280.799 2.618 20 10 CFCDMN CN(C)c1cccc(CNCc2c(O)cccc2Cl)n1 ZINC000269982232 384928951 /nfs/dbraw/zinc/92/89/51/384928951.db2.gz NGWCSVZTWDXCGU-UHFFFAOYSA-N 0 1 291.782 2.796 20 10 CFCDMN CCCCN(Cc1ccn(C)n1)Cc1ccccc1O ZINC000282390675 385299903 /nfs/dbraw/zinc/29/99/03/385299903.db2.gz GVGZWKDTOFNLAV-UHFFFAOYSA-N 0 1 273.380 2.928 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271830574 385393924 /nfs/dbraw/zinc/39/39/24/385393924.db2.gz QQJHXJUZWQJHBC-GOSISDBHSA-N 0 1 299.370 2.974 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC[C@H]1O ZINC000271874449 385395794 /nfs/dbraw/zinc/39/57/94/385395794.db2.gz SSXVDOQBEPBXIG-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1[O-] ZINC000272331475 385512711 /nfs/dbraw/zinc/51/27/11/385512711.db2.gz WQCBUXZPTBXRAO-UHFFFAOYSA-N 0 1 289.306 2.892 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000273426600 385682791 /nfs/dbraw/zinc/68/27/91/385682791.db2.gz UHSLSUQPBLBSFJ-UWVGGRQHSA-N 0 1 255.745 2.733 20 10 CFCDMN CCc1nnc([C@H](C)N[C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000273511704 385686219 /nfs/dbraw/zinc/68/62/19/385686219.db2.gz RVOBUHNESQBWCV-MNOVXSKESA-N 0 1 274.368 2.793 20 10 CFCDMN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000273790692 385695966 /nfs/dbraw/zinc/69/59/66/385695966.db2.gz UJGOWDNHDJIBGI-VHSXEESVSA-N 0 1 285.771 2.723 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCCC2(F)F)ccc(F)c1F ZINC000703379506 781978222 /nfs/dbraw/zinc/97/82/22/781978222.db2.gz LLGUVSMKMMNDQA-SECBINFHSA-N 0 1 263.234 2.948 20 10 CFCDMN [O-]c1c(F)cccc1CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000374899997 393503826 /nfs/dbraw/zinc/50/38/26/393503826.db2.gz UAEQNGNUOQNXRZ-HNNXBMFYSA-N 0 1 292.398 2.982 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744224 394022993 /nfs/dbraw/zinc/02/29/93/394022993.db2.gz AOQDIKXUQUNUKF-JQWIXIFHSA-N 0 1 269.772 2.781 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@H]21 ZINC000365238539 394230027 /nfs/dbraw/zinc/23/00/27/394230027.db2.gz AVTRSVHYDSXJCJ-GXFFZTMASA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000365238538 394230183 /nfs/dbraw/zinc/23/01/83/394230183.db2.gz AVTRSVHYDSXJCJ-GWCFXTLKSA-N 0 1 298.789 2.711 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000527956696 394431838 /nfs/dbraw/zinc/43/18/38/394431838.db2.gz OSIUDHKRNTTWJG-NWANDNLSSA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000020207142 171071587 /nfs/dbraw/zinc/07/15/87/171071587.db2.gz XLVFIRRMSHBUKY-ZANVPECISA-N 0 1 255.745 2.703 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000035603015 172291726 /nfs/dbraw/zinc/29/17/26/172291726.db2.gz KBTKBMCUKKUSPJ-KCJUWKMLSA-N 0 1 288.185 2.576 20 10 CFCDMN CN1CC[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000272540664 290158505 /nfs/dbraw/zinc/15/85/05/290158505.db2.gz BWRXYVPIYIPRTH-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278259438 520480104 /nfs/dbraw/zinc/48/01/04/520480104.db2.gz QJSJBIKSAPDVTI-UHFFFAOYSA-N 0 1 282.340 2.931 20 10 CFCDMN C=Cn1cc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000193577760 519319135 /nfs/dbraw/zinc/31/91/35/519319135.db2.gz CLQLQXJVZTXFRJ-UHFFFAOYSA-N 0 1 270.380 2.682 20 10 CFCDMN CC(=O)NC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000264947475 519645433 /nfs/dbraw/zinc/64/54/33/519645433.db2.gz JDBHNDCSGKYBBH-UHFFFAOYSA-N 0 1 296.798 2.583 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000280473545 520475792 /nfs/dbraw/zinc/47/57/92/520475792.db2.gz NJCHCDCTKQMKLX-NSHDSACASA-N 0 1 290.190 2.902 20 10 CFCDMN CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158044083 521191803 /nfs/dbraw/zinc/19/18/03/521191803.db2.gz HOULQKMUPCHCQD-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H]3CCC[C@H]32)c1O ZINC000228144441 521341419 /nfs/dbraw/zinc/34/14/19/521341419.db2.gz ANSCLEAIXROWRJ-KGLIPLIRSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000278928126 521868027 /nfs/dbraw/zinc/86/80/27/521868027.db2.gz VVGLHZOTNWAJDE-SNVBAGLBSA-N 0 1 294.351 2.929 20 10 CFCDMN COC[C@@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440501 522204129 /nfs/dbraw/zinc/20/41/29/522204129.db2.gz FISGXMBSHOCFJR-VIFPVBQESA-N 0 1 288.185 2.527 20 10 CFCDMN CCc1nc(C)c(CNCc2cccc(C)c2O)o1 ZINC000292725727 522205261 /nfs/dbraw/zinc/20/52/61/522205261.db2.gz FURTZTJXJLHEEJ-UHFFFAOYSA-N 0 1 260.337 2.849 20 10 CFCDMN COC[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000230663325 522297474 /nfs/dbraw/zinc/29/74/74/522297474.db2.gz XPKLYNIWSRTFPB-TZMCWYRMSA-N 0 1 289.375 2.593 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@H](CC)c2ccccc2O)[nH]1 ZINC000274783154 522425100 /nfs/dbraw/zinc/42/51/00/522425100.db2.gz PPWIMIIMLABMMI-ZYHUDNBSSA-N 0 1 274.368 2.875 20 10 CFCDMN C[N@@H+](CCCCCO)Cc1cccc(Cl)c1[O-] ZINC000279419445 522732261 /nfs/dbraw/zinc/73/22/61/522732261.db2.gz NDLMTCQNLQAUOS-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN CC[C@@]1(C)CN(Cc2cc(F)ccc2O)CCO1 ZINC000191151150 523717507 /nfs/dbraw/zinc/71/75/07/523717507.db2.gz HCBFLSFHXRPYLY-AWEZNQCLSA-N 0 1 253.317 2.532 20 10 CFCDMN CO[C@@]1(C)CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000230275408 523806220 /nfs/dbraw/zinc/80/62/20/523806220.db2.gz ZUYHRBXOZLCSHF-INIZCTEOSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000230275408 523806226 /nfs/dbraw/zinc/80/62/26/523806226.db2.gz ZUYHRBXOZLCSHF-INIZCTEOSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000230275408 523806234 /nfs/dbraw/zinc/80/62/34/523806234.db2.gz ZUYHRBXOZLCSHF-INIZCTEOSA-N 0 1 295.354 2.735 20 10 CFCDMN Cc1cccc(CN2CCO[C@@H](c3ccco3)C2)c1O ZINC000180628457 524404149 /nfs/dbraw/zinc/40/41/49/524404149.db2.gz YCYFOBRSMMQPEL-OAHLLOKOSA-N 0 1 273.332 2.867 20 10 CFCDMN Cc1cccc(CN[C@@H](C)c2nnc3ccccn32)c1O ZINC000158084690 524435217 /nfs/dbraw/zinc/43/52/17/524435217.db2.gz CUVXTRYNRMNJMT-LBPRGKRZSA-N 0 1 282.347 2.594 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000191313509 524609576 /nfs/dbraw/zinc/60/95/76/524609576.db2.gz BNPHNULXUJLXGQ-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN COc1ccc(O)c(CN2CCOCC23CCCC3)c1 ZINC000271834219 524742501 /nfs/dbraw/zinc/74/25/01/524742501.db2.gz PEJSGYBHOLBAIU-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C2CC2)O1 ZINC000280105655 524985893 /nfs/dbraw/zinc/98/58/93/524985893.db2.gz AZOLCVUHYHSWTH-BMIGLBTASA-N 0 1 265.328 2.531 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000191200472 525416581 /nfs/dbraw/zinc/41/65/81/525416581.db2.gz FUOBCFRWCOUNSU-WDEREUQCSA-N 0 1 296.361 2.805 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230313739 526346679 /nfs/dbraw/zinc/34/66/79/526346679.db2.gz LLHZYUQADFPBSK-GXTWGEPZSA-N 0 1 267.756 2.703 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000083662527 527608144 /nfs/dbraw/zinc/60/81/44/527608144.db2.gz HZHADAITNNFTIR-ZDUSSCGKSA-N 0 1 291.778 2.739 20 10 CFCDMN CO[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000728050712 574078159 /nfs/dbraw/zinc/07/81/59/574078159.db2.gz XUKSFMBYWDGJDM-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000728050712 574078161 /nfs/dbraw/zinc/07/81/61/574078161.db2.gz XUKSFMBYWDGJDM-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H]1COC(C)(C)CN1Cc1cc(F)ccc1O ZINC000754156891 574078811 /nfs/dbraw/zinc/07/88/11/574078811.db2.gz XDRJXOOXWUVJTG-JTQLQIEISA-N 0 1 253.317 2.531 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cn[nH]c2)cc1F ZINC000731360387 574117631 /nfs/dbraw/zinc/11/76/31/574117631.db2.gz FXQUNTHOLPZPLD-UHFFFAOYSA-N 0 1 276.359 2.685 20 10 CFCDMN CN(C)Cc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000732271521 574148700 /nfs/dbraw/zinc/14/87/00/574148700.db2.gz IMDLZBYJYCKPLH-UHFFFAOYSA-N 0 1 276.361 2.768 20 10 CFCDMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccccc1O ZINC000738958678 574191040 /nfs/dbraw/zinc/19/10/40/574191040.db2.gz XMMPNWZJJBPIHS-UHFFFAOYSA-N 0 1 275.304 2.624 20 10 CFCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Cn1cccn1 ZINC000733325030 574221727 /nfs/dbraw/zinc/22/17/27/574221727.db2.gz SSUBEEVSIUFULI-NSHDSACASA-N 0 1 279.771 2.668 20 10 CFCDMN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000756338452 574226503 /nfs/dbraw/zinc/22/65/03/574226503.db2.gz KZGYZBSNHUGACG-AWEZNQCLSA-N 0 1 289.356 2.599 20 10 CFCDMN COc1cccc(CNCc2cn3cc(C)ccc3n2)c1O ZINC000729680848 574227704 /nfs/dbraw/zinc/22/77/04/574227704.db2.gz CBJSKXDWMUVDLJ-UHFFFAOYSA-N 0 1 297.358 2.647 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000756561415 574247659 /nfs/dbraw/zinc/24/76/59/574247659.db2.gz CCOBLRJNJAKAOC-RYUDHWBXSA-N 0 1 299.798 2.749 20 10 CFCDMN C[C@H](NCc1ccc(F)cn1)c1cc(F)ccc1O ZINC000756657216 574255826 /nfs/dbraw/zinc/25/58/26/574255826.db2.gz BOGPWLPBVQDUJQ-VIFPVBQESA-N 0 1 264.275 2.916 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)CO)c2c1c(F)ccc2[O-] ZINC000756760896 574261298 /nfs/dbraw/zinc/26/12/98/574261298.db2.gz RRUIHJFIWZGCQC-ONGXEEELSA-N 0 1 267.344 2.688 20 10 CFCDMN COCC1([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756851863 574268289 /nfs/dbraw/zinc/26/82/89/574268289.db2.gz WDXRXILCHNVXGT-VIFPVBQESA-N 0 1 255.745 2.875 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000756860149 574269557 /nfs/dbraw/zinc/26/95/57/574269557.db2.gz JKDZCUZZOKTTCC-QGZVFWFLSA-N 0 1 284.359 2.553 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000756860149 574269560 /nfs/dbraw/zinc/26/95/60/574269560.db2.gz JKDZCUZZOKTTCC-QGZVFWFLSA-N 0 1 284.359 2.553 20 10 CFCDMN CCN(CC)c1ccc(CN(C)C(=O)c2cnc[nH]2)cc1 ZINC000725879546 574348068 /nfs/dbraw/zinc/34/80/68/574348068.db2.gz JIENTKMIWGQRHE-UHFFFAOYSA-N 0 1 286.379 2.528 20 10 CFCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000821511406 598129013 /nfs/dbraw/zinc/12/90/13/598129013.db2.gz JWJUHMPKBSDLDN-OAHLLOKOSA-N 0 1 288.391 2.583 20 10 CFCDMN C[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830860743 601007077 /nfs/dbraw/zinc/00/70/77/601007077.db2.gz WGOOJQDAZHLKGT-OAHLLOKOSA-N 0 1 289.306 2.789 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830860743 601007079 /nfs/dbraw/zinc/00/70/79/601007079.db2.gz WGOOJQDAZHLKGT-OAHLLOKOSA-N 0 1 289.306 2.789 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000250094410 604679413 /nfs/dbraw/zinc/67/94/13/604679413.db2.gz YUFGOMVHOBPLHC-BNOWGMLFSA-N 0 1 275.348 2.610 20 10 CFCDMN C[C@@H](C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1)C(=O)[O-] ZINC000833516396 605750481 /nfs/dbraw/zinc/75/04/81/605750481.db2.gz MMFJBXJYYLZKLM-VIFPVBQESA-N 0 1 283.755 2.731 20 10 CFCDMN Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000050182513 618083092 /nfs/dbraw/zinc/08/30/92/618083092.db2.gz KHUAHEVTVUNUEE-UHFFFAOYSA-N 0 1 279.771 2.800 20 10 CFCDMN O=C(CC[C@@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000890757752 617834899 /nfs/dbraw/zinc/83/48/99/617834899.db2.gz KMNBCUMGYBKWIW-NSHDSACASA-N 0 1 283.755 2.621 20 10 CFCDMN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000310068695 618264842 /nfs/dbraw/zinc/26/48/42/618264842.db2.gz XILVSKFHHDAGRU-BXKDBHETSA-N 0 1 255.745 2.560 20 10 CFCDMN CC(C)(C)C[N@@H+](CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894005438 618270820 /nfs/dbraw/zinc/27/08/20/618270820.db2.gz GIPOXVXOFFYLKY-UHFFFAOYSA-N 0 1 287.350 2.901 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000310536787 618340458 /nfs/dbraw/zinc/34/04/58/618340458.db2.gz PMJSMXYYRZRMII-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000310536787 618340463 /nfs/dbraw/zinc/34/04/63/618340463.db2.gz PMJSMXYYRZRMII-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000310536787 618340471 /nfs/dbraw/zinc/34/04/71/618340471.db2.gz PMJSMXYYRZRMII-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN COc1cc(C)cc(CN2CCC[C@@H](F)C2)c1O ZINC000895150409 618392994 /nfs/dbraw/zinc/39/29/94/618392994.db2.gz LQBSIQSFDFCJET-GFCCVEGCSA-N 0 1 253.317 2.643 20 10 CFCDMN COc1cc(C)cc(CN2CCC[C@H](F)C2)c1O ZINC000895150410 618393055 /nfs/dbraw/zinc/39/30/55/618393055.db2.gz LQBSIQSFDFCJET-LBPRGKRZSA-N 0 1 253.317 2.643 20 10 CFCDMN Cn1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1C1CC1 ZINC000895155780 618402312 /nfs/dbraw/zinc/40/23/12/618402312.db2.gz NCKFNYKCTJWPIF-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000066057115 618439350 /nfs/dbraw/zinc/43/93/50/618439350.db2.gz KQUABEHIOGHLLB-HNNXBMFYSA-N 0 1 290.407 2.829 20 10 CFCDMN Cn1cc(CNCc2ccc3c(c2)CCO3)c(C2CC2)n1 ZINC000892794337 618747982 /nfs/dbraw/zinc/74/79/82/618747982.db2.gz RUPLPIXIPWGACC-UHFFFAOYSA-N 0 1 283.375 2.522 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(=O)NC2CCCC2)c(Cl)c1 ZINC000840897956 618842090 /nfs/dbraw/zinc/84/20/90/618842090.db2.gz WJCJJVXHGABOHI-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN Cc1cc(O)c(CNCC(=O)NC2CCCC2)c(Cl)c1 ZINC000840897956 618842094 /nfs/dbraw/zinc/84/20/94/618842094.db2.gz WJCJJVXHGABOHI-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN C[C@H](NCc1nncn1-c1ccccc1)c1ccccc1O ZINC000183413001 618905628 /nfs/dbraw/zinc/90/56/28/618905628.db2.gz AGOZQYCHGRRGAN-ZDUSSCGKSA-N 0 1 294.358 2.824 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1O ZINC000840921035 618943226 /nfs/dbraw/zinc/94/32/26/618943226.db2.gz MFLXVONJAPPLSX-QMTHXVAHSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1O ZINC000840921035 618943229 /nfs/dbraw/zinc/94/32/29/618943229.db2.gz MFLXVONJAPPLSX-QMTHXVAHSA-N 0 1 269.772 2.557 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccon1 ZINC000093305908 619005338 /nfs/dbraw/zinc/00/53/38/619005338.db2.gz FXKPYJJIZXZPKX-UHFFFAOYSA-N 0 1 273.119 2.977 20 10 CFCDMN COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093754749 619052627 /nfs/dbraw/zinc/05/26/27/619052627.db2.gz SUBKPVCJNSRUNT-GFCCVEGCSA-N 0 1 299.798 2.531 20 10 CFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093754749 619052629 /nfs/dbraw/zinc/05/26/29/619052629.db2.gz SUBKPVCJNSRUNT-GFCCVEGCSA-N 0 1 299.798 2.531 20 10 CFCDMN CC(C)N1CCC([N@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893920301 619243599 /nfs/dbraw/zinc/24/35/99/619243599.db2.gz PVXPUJJNSLMZPT-UHFFFAOYSA-N 0 1 298.377 2.975 20 10 CFCDMN CC(C)N1CCC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893920301 619243601 /nfs/dbraw/zinc/24/36/01/619243601.db2.gz PVXPUJJNSLMZPT-UHFFFAOYSA-N 0 1 298.377 2.975 20 10 CFCDMN CC[C@]1(C)CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000894533821 619412243 /nfs/dbraw/zinc/41/22/43/619412243.db2.gz PVPUBMOUMYXIGT-CQSZACIVSA-N 0 1 271.307 2.671 20 10 CFCDMN CCOC(=O)[C@H](C)N(Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894538914 619413596 /nfs/dbraw/zinc/41/35/96/619413596.db2.gz VJUXFNIAHWDMCS-VIFPVBQESA-N 0 1 299.317 2.586 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000894689763 619444513 /nfs/dbraw/zinc/44/45/13/619444513.db2.gz HXIKROFMUVVVLU-UONOGXRCSA-N 0 1 283.318 2.814 20 10 CFCDMN COc1cc(C)cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000894911251 619511576 /nfs/dbraw/zinc/51/15/76/619511576.db2.gz FSYYHHNZCQEVPO-DGCLKSJQSA-N 0 1 287.363 2.701 20 10 CFCDMN CCN1CC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895672648 619583279 /nfs/dbraw/zinc/58/32/79/619583279.db2.gz XGGSJTRIFFUFPH-HNNXBMFYSA-N 0 1 270.376 2.729 20 10 CFCDMN Cc1ccc(CN[C@@H](c2ncccn2)C2CC2)c(O)c1 ZINC000896597391 619771555 /nfs/dbraw/zinc/77/15/55/619771555.db2.gz RBGQZWYGWDVGRS-OAHLLOKOSA-N 0 1 269.348 2.732 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998358 620117729 /nfs/dbraw/zinc/11/77/29/620117729.db2.gz AHQYREVLPNJEIL-QGZVFWFLSA-N 0 1 290.407 2.829 20 10 CFCDMN C[N@H+]1C[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@]2(C)C1 ZINC000897621448 620260851 /nfs/dbraw/zinc/26/08/51/620260851.db2.gz BOXPMEIDBJJTSO-BMIGLBTASA-N 0 1 298.789 2.568 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H]1O ZINC000897684286 620271422 /nfs/dbraw/zinc/27/14/22/620271422.db2.gz LZWOIOCDGIXUJL-UGSOOPFHSA-N 0 1 283.371 2.872 20 10 CFCDMN CCC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC ZINC000897835411 620291710 /nfs/dbraw/zinc/29/17/10/620291710.db2.gz DGWJELDBWDJJAP-LLVKDONJSA-N 0 1 289.734 2.616 20 10 CFCDMN Cc1ccc(CNCc2cc(C(F)(F)F)n(C)n2)c(O)c1 ZINC000898019402 620323668 /nfs/dbraw/zinc/32/36/68/620323668.db2.gz LNBDJGOLUCRMTM-UHFFFAOYSA-N 0 1 299.296 2.743 20 10 CFCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000898419484 620462001 /nfs/dbraw/zinc/46/20/01/620462001.db2.gz CGNKBQNWWNTJSC-YGRLFVJLSA-N 0 1 285.359 2.855 20 10 CFCDMN C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903327715 621339100 /nfs/dbraw/zinc/33/91/00/621339100.db2.gz XWDSHOTUNUNYHF-IAQYHMDHSA-N 0 1 269.348 2.984 20 10 CFCDMN C[C@H](N[C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903327717 621339571 /nfs/dbraw/zinc/33/95/71/621339571.db2.gz XWDSHOTUNUNYHF-XHDPSFHLSA-N 0 1 269.348 2.984 20 10 CFCDMN COCCOCc1cc(=O)n(-c2cccc3ccccc32)[nH]1 ZINC000905019186 621682843 /nfs/dbraw/zinc/68/28/43/621682843.db2.gz DYFBRIHMGUWMIN-UHFFFAOYSA-N 0 1 298.342 2.596 20 10 CFCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C ZINC000820877534 622779705 /nfs/dbraw/zinc/77/97/05/622779705.db2.gz ARDVGJZXSSQTPU-HNNXBMFYSA-N 0 1 290.407 2.615 20 10 CFCDMN CCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045690944 623013092 /nfs/dbraw/zinc/01/30/92/623013092.db2.gz SPSHQRMRBKTBCE-NSHDSACASA-N 0 1 270.804 2.866 20 10 CFCDMN CN(C)c1ccc(CN2CC(CC(F)F)C2)cc1F ZINC000822520498 623120123 /nfs/dbraw/zinc/12/01/23/623120123.db2.gz DOSJWCWVDVQBDV-UHFFFAOYSA-N 0 1 272.314 2.979 20 10 CFCDMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccn1 ZINC000060942034 623167532 /nfs/dbraw/zinc/16/75/32/623167532.db2.gz TZXUMDQNJOOZMT-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCOC1 ZINC000230164579 623259317 /nfs/dbraw/zinc/25/93/17/623259317.db2.gz NLKOVBSHKPMDNF-JTQLQIEISA-N 0 1 255.745 2.562 20 10 CFCDMN CC(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230689698 623294510 /nfs/dbraw/zinc/29/45/10/623294510.db2.gz VVVBFRGFRKAFQN-GFCCVEGCSA-N 0 1 257.761 2.542 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2cnc3n2CCC3)cc1 ZINC000824473903 623511319 /nfs/dbraw/zinc/51/13/19/623511319.db2.gz GBXPXPLAYXDYHR-UHFFFAOYSA-N 0 1 284.407 2.527 20 10 CFCDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000840747006 623516047 /nfs/dbraw/zinc/51/60/47/623516047.db2.gz STKQIOIBSNKIBL-QWHCGFSZSA-N 0 1 272.396 2.898 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC2)OCCO3)cc1Cl ZINC000824548678 623522201 /nfs/dbraw/zinc/52/22/01/623522201.db2.gz QDZSKSURZIZMIB-UHFFFAOYSA-N 0 1 297.782 2.693 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637719 623537212 /nfs/dbraw/zinc/53/72/12/623537212.db2.gz ZJGWBRCJGLXEQF-CABZTGNLSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000824702058 623548016 /nfs/dbraw/zinc/54/80/16/623548016.db2.gz LHTTZPYJBTZWOW-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000824702058 623548021 /nfs/dbraw/zinc/54/80/21/623548021.db2.gz LHTTZPYJBTZWOW-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCOC2)cc1Cl ZINC000824710166 623549265 /nfs/dbraw/zinc/54/92/65/623549265.db2.gz SMWKUTURTZXGAM-LLVKDONJSA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCOC2)cc1Cl ZINC000824710166 623549267 /nfs/dbraw/zinc/54/92/67/623549267.db2.gz SMWKUTURTZXGAM-LLVKDONJSA-N 0 1 255.745 2.575 20 10 CFCDMN CC[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000824921661 623588523 /nfs/dbraw/zinc/58/85/23/623588523.db2.gz OTLWFKHYDWITOI-IAQYHMDHSA-N 0 1 259.349 2.794 20 10 CFCDMN CCOc1ccc(CN[C@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000825017131 623608452 /nfs/dbraw/zinc/60/84/52/623608452.db2.gz MIGBZLADSZZJLU-FZMZJTMJSA-N 0 1 287.363 2.783 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)N(C)C)cc1Cl ZINC000825050849 623616990 /nfs/dbraw/zinc/61/69/90/623616990.db2.gz VOVYKRFOZMZKBC-UHFFFAOYSA-N 0 1 270.804 2.784 20 10 CFCDMN C[C@H](O)CN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000825099047 623629775 /nfs/dbraw/zinc/62/97/75/623629775.db2.gz SGILVMPOAZFBQS-ZETCQYMHSA-N 0 1 297.704 2.633 20 10 CFCDMN CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825255203 623659803 /nfs/dbraw/zinc/65/98/03/623659803.db2.gz YPXGXUFKKPFRQV-LKFCYVNXSA-N 0 1 271.788 2.851 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338361 623676601 /nfs/dbraw/zinc/67/66/01/623676601.db2.gz OYUAWFKXLCXBEQ-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338361 623676605 /nfs/dbraw/zinc/67/66/05/623676605.db2.gz OYUAWFKXLCXBEQ-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN CC(C)[N@H+]1CC[C@H](N(C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338375 623676759 /nfs/dbraw/zinc/67/67/59/623676759.db2.gz PJJLHDZMKIYSFK-ZDUSSCGKSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338375 623676762 /nfs/dbraw/zinc/67/67/62/623676762.db2.gz PJJLHDZMKIYSFK-ZDUSSCGKSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338375 623676769 /nfs/dbraw/zinc/67/67/69/623676769.db2.gz PJJLHDZMKIYSFK-ZDUSSCGKSA-N 0 1 282.815 2.960 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H](C)O)cc1Cl ZINC000825483970 623698446 /nfs/dbraw/zinc/69/84/46/623698446.db2.gz GMEDJTHJWHHJMN-ZJUUUORDSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(CO)CC2)cc1Cl ZINC000825520207 623708040 /nfs/dbraw/zinc/70/80/40/623708040.db2.gz WJBCHXCEJPNRHI-UHFFFAOYSA-N 0 1 283.799 2.948 20 10 CFCDMN COc1cc(Cl)cc(CNCc2ccc(F)cn2)c1O ZINC000761215284 623723900 /nfs/dbraw/zinc/72/39/00/623723900.db2.gz JDWTZHPCTSBLSY-UHFFFAOYSA-N 0 1 296.729 2.878 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1Cl ZINC000825672023 623735997 /nfs/dbraw/zinc/73/59/97/623735997.db2.gz WXIGDVNDRXISMH-CMPLNLGQSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1Cl ZINC000825704528 623744089 /nfs/dbraw/zinc/74/40/89/623744089.db2.gz SRFKSHKFZAAOLF-GXFFZTMASA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000826123076 623796762 /nfs/dbraw/zinc/79/67/62/623796762.db2.gz FRYZBDOSTGZKAP-YPMHNXCESA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C[C@H](C)O)C2CC2)cc1Cl ZINC000826538959 623805034 /nfs/dbraw/zinc/80/50/34/623805034.db2.gz MKBHDCGWPXTSMK-JTQLQIEISA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@H](C)O)C2CC2)cc1Cl ZINC000826538959 623805043 /nfs/dbraw/zinc/80/50/43/623805043.db2.gz MKBHDCGWPXTSMK-JTQLQIEISA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@H](C)O)C2CC2)cc1Cl ZINC000826538959 623805051 /nfs/dbraw/zinc/80/50/51/623805051.db2.gz MKBHDCGWPXTSMK-JTQLQIEISA-N 0 1 269.772 2.699 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827152802 623954725 /nfs/dbraw/zinc/95/47/25/623954725.db2.gz WDUIYZCOBMNORR-OAHLLOKOSA-N 0 1 281.783 2.783 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C)[C@H]1O ZINC000827151838 623955205 /nfs/dbraw/zinc/95/52/05/623955205.db2.gz KQIHCZWDVANTON-LAQFHYBYSA-N 0 1 285.387 2.994 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H](C)[C@H]1O ZINC000827151838 623955208 /nfs/dbraw/zinc/95/52/08/623955208.db2.gz KQIHCZWDVANTON-LAQFHYBYSA-N 0 1 285.387 2.994 20 10 CFCDMN C[C@]12COC[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284749 623981033 /nfs/dbraw/zinc/98/10/33/623981033.db2.gz WGALRCBHUUDLJF-YGRLFVJLSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284749 623981034 /nfs/dbraw/zinc/98/10/34/623981034.db2.gz WGALRCBHUUDLJF-YGRLFVJLSA-N 0 1 267.756 2.514 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc2ccccc21 ZINC000827366136 623994053 /nfs/dbraw/zinc/99/40/53/623994053.db2.gz RYJZLIJYPCFWBS-HZPDHXFCSA-N 0 1 283.371 2.939 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCc2nccnc2C1 ZINC000827686532 624063162 /nfs/dbraw/zinc/06/31/62/624063162.db2.gz ARKNQPCUSJEAJV-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN Cc1cnccc1CC[N@H+](C)Cc1ccccc1O ZINC000828062633 624163769 /nfs/dbraw/zinc/16/37/69/624163769.db2.gz MOFHPQZUPJYPDM-UHFFFAOYSA-N 0 1 256.349 2.770 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cnc(C)nc2)cc1 ZINC000917139722 624317587 /nfs/dbraw/zinc/31/75/87/624317587.db2.gz CPJGUHUEEGFEOU-UHFFFAOYSA-N 0 1 284.407 2.921 20 10 CFCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000033315179 624338252 /nfs/dbraw/zinc/33/82/52/624338252.db2.gz QAAIELFZKPGHJG-UVTDQMKNSA-N 0 1 298.729 2.801 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)C/C=C(\C)C(=O)[O-])cc1 ZINC000829684010 624507308 /nfs/dbraw/zinc/50/73/08/624507308.db2.gz KFKOINSYELLDMD-SDNWHVSQSA-N 0 1 290.407 2.996 20 10 CFCDMN COc1ccc(O)c(CNC(C)(C)c2nccs2)c1 ZINC000182213367 625271794 /nfs/dbraw/zinc/27/17/94/625271794.db2.gz NNNXWZNGYAIVPJ-UHFFFAOYSA-N 0 1 278.377 2.882 20 10 CFCDMN C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(F)ccc1[O-] ZINC000185722811 625767964 /nfs/dbraw/zinc/76/79/64/625767964.db2.gz WLZYZAYQOWRMIV-GVXVVHGQSA-N 0 1 267.344 2.733 20 10 CFCDMN Cc1ccc([C@H](C)NCc2nnc(C3CC3)[nH]2)c(O)c1C ZINC000834872061 625905894 /nfs/dbraw/zinc/90/58/94/625905894.db2.gz VABMUUTXPRSZPU-NSHDSACASA-N 0 1 286.379 2.855 20 10 CFCDMN C[C@@H]1C[C@@H](N[C@@H]2CCc3cccc(O)c32)c2nccn21 ZINC000834896095 625912634 /nfs/dbraw/zinc/91/26/34/625912634.db2.gz UJVLIWDTHCLRLF-RAIGVLPGSA-N 0 1 269.348 2.872 20 10 CFCDMN C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834904992 625917499 /nfs/dbraw/zinc/91/74/99/625917499.db2.gz DPYPEVRJAAEXGV-LKFCYVNXSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc2ccccc2c1[O-] ZINC000834908087 625920054 /nfs/dbraw/zinc/92/00/54/625920054.db2.gz GVVJFBYYVQHQQO-SGTLLEGYSA-N 0 1 298.386 2.865 20 10 CFCDMN COc1ncccc1CNCc1ccc2c(c1)CCCO2 ZINC000921519264 625968323 /nfs/dbraw/zinc/96/83/23/625968323.db2.gz CBYNRXCASQQJCI-UHFFFAOYSA-N 0 1 284.359 2.705 20 10 CFCDMN c1nn(C2CCC2)cc1CNCc1ccc2c(c1)CCO2 ZINC000921653057 626048103 /nfs/dbraw/zinc/04/81/03/626048103.db2.gz ZMJALBKCQAJHLW-UHFFFAOYSA-N 0 1 283.375 2.833 20 10 CFCDMN CO[C@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921738864 626102360 /nfs/dbraw/zinc/10/23/60/626102360.db2.gz VPHVXTOJYXFUNT-CYBMUJFWSA-N 0 1 289.297 2.679 20 10 CFCDMN OC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000922007866 626195642 /nfs/dbraw/zinc/19/56/42/626195642.db2.gz XPDQSWSWGJUEOZ-OAHLLOKOSA-N 0 1 289.400 2.896 20 10 CFCDMN COCC1(C)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000839144545 626526052 /nfs/dbraw/zinc/52/60/52/626526052.db2.gz ZNVPFKZBMQICTJ-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN CC1(CO)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000839145698 626526070 /nfs/dbraw/zinc/52/60/70/626526070.db2.gz RFPFRIMNZBKITN-UHFFFAOYSA-N 0 1 276.163 2.513 20 10 CFCDMN CC[C@H](N[C@H](C)c1ncnn1C)c1cc(Cl)ccc1O ZINC000788984593 626538552 /nfs/dbraw/zinc/53/85/52/626538552.db2.gz SBEAVDILCUOWEF-SKDRFNHKSA-N 0 1 294.786 2.976 20 10 CFCDMN COC1([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCC1 ZINC000839660320 626549997 /nfs/dbraw/zinc/54/99/97/626549997.db2.gz KZOPNLJQGXIXIR-LLVKDONJSA-N 0 1 295.354 2.781 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]CC2(CO)CCC2)c2c1c(F)ccc2[O-] ZINC000757657712 626557393 /nfs/dbraw/zinc/55/73/93/626557393.db2.gz PFLYTJOJVVMNAO-JQWIXIFHSA-N 0 1 279.355 2.832 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)c2c1c(F)ccc2[O-] ZINC000757657713 626557466 /nfs/dbraw/zinc/55/74/66/626557466.db2.gz PFLYTJOJVVMNAO-PWSUYJOCSA-N 0 1 279.355 2.832 20 10 CFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000760883130 626781213 /nfs/dbraw/zinc/78/12/13/626781213.db2.gz AFUMATKIUYWZQU-RIEGTJTDSA-N 0 1 299.798 2.890 20 10 CFCDMN CN(C)c1ccc(CNCc2ccc(F)cn2)cc1F ZINC000763523191 626994302 /nfs/dbraw/zinc/99/43/02/626994302.db2.gz VXEVWBFOWBVNHW-UHFFFAOYSA-N 0 1 277.318 2.716 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cncs1 ZINC000765610672 627150570 /nfs/dbraw/zinc/15/05/70/627150570.db2.gz WZGIXSNLNMCNBR-SNVBAGLBSA-N 0 1 260.362 2.929 20 10 CFCDMN Cc1cccc2nc(CNC(=O)C3=CC(=O)CS3)[nH]c21 ZINC000766239585 627186313 /nfs/dbraw/zinc/18/63/13/627186313.db2.gz MSPBOGRGXPGSHZ-UHFFFAOYSA-N 0 1 287.344 2.568 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](C)OC[C@H]2CC)c(O)c1 ZINC000768171385 627322876 /nfs/dbraw/zinc/32/28/76/627322876.db2.gz DHDGSFFTHRRMHZ-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H](C)C(C)C ZINC000768440011 627342367 /nfs/dbraw/zinc/34/23/67/627342367.db2.gz NBMKMMZUIUEUPN-NHYWBVRUSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H](C)C(C)C ZINC000768440011 627342370 /nfs/dbraw/zinc/34/23/70/627342370.db2.gz NBMKMMZUIUEUPN-NHYWBVRUSA-N 0 1 279.380 2.684 20 10 CFCDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)C(C)(C)C ZINC000768524188 627350214 /nfs/dbraw/zinc/35/02/14/627350214.db2.gz LXVWYZDOIAYRDD-GFCCVEGCSA-N 0 1 285.771 2.723 20 10 CFCDMN COc1cccc(O)c1CN1CCOc2ccccc2C1 ZINC000768940386 627388003 /nfs/dbraw/zinc/38/80/03/627388003.db2.gz IQOJVECESBUKSO-UHFFFAOYSA-N 0 1 285.343 2.795 20 10 CFCDMN CN(Cc1ccccc1O)C(=O)c1cccc2n[nH]cc21 ZINC000769283315 627418715 /nfs/dbraw/zinc/41/87/15/627418715.db2.gz TXCCGBZNOJDQPI-UHFFFAOYSA-N 0 1 281.315 2.541 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769314284 627423024 /nfs/dbraw/zinc/42/30/24/627423024.db2.gz WYYXCUDJOZHHGZ-NSHDSACASA-N 0 1 297.782 2.631 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769314284 627423029 /nfs/dbraw/zinc/42/30/29/627423029.db2.gz WYYXCUDJOZHHGZ-NSHDSACASA-N 0 1 297.782 2.631 20 10 CFCDMN C[C@H]1CCOCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774648464 627945538 /nfs/dbraw/zinc/94/55/38/627945538.db2.gz JDHDIMQYKOIJJS-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H]1CCOCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774648464 627945540 /nfs/dbraw/zinc/94/55/40/627945540.db2.gz JDHDIMQYKOIJJS-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775482849 628029625 /nfs/dbraw/zinc/02/96/25/628029625.db2.gz DFZZINSXVNMYRA-ZDUSSCGKSA-N 0 1 296.798 2.613 20 10 CFCDMN CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775555959 628037086 /nfs/dbraw/zinc/03/70/86/628037086.db2.gz TXHZKCNZVDMEES-UKRRQHHQSA-N 0 1 299.798 2.892 20 10 CFCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000775578771 628043380 /nfs/dbraw/zinc/04/33/80/628043380.db2.gz ZZBJRWGNVCULLN-OLZOCXBDSA-N 0 1 272.396 2.898 20 10 CFCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)CO1 ZINC000775653296 628050567 /nfs/dbraw/zinc/05/05/67/628050567.db2.gz CTDFVBZHJTZVER-IUCAKERBSA-N 0 1 273.735 2.794 20 10 CFCDMN CCOC(=O)CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000775663269 628051161 /nfs/dbraw/zinc/05/11/61/628051161.db2.gz KTVBZDQWDYOTBH-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775712381 628057822 /nfs/dbraw/zinc/05/78/22/628057822.db2.gz GRMDYHPNOGEKLH-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000777220859 628208530 /nfs/dbraw/zinc/20/85/30/628208530.db2.gz GNUVFUWEFXYJOJ-CYBMUJFWSA-N 0 1 285.746 2.796 20 10 CFCDMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(Cl)ccc1O ZINC000777219336 628208847 /nfs/dbraw/zinc/20/88/47/628208847.db2.gz JWVWMLCCPVGKTB-JTQLQIEISA-N 0 1 298.814 2.781 20 10 CFCDMN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1F ZINC000779150899 628355857 /nfs/dbraw/zinc/35/58/57/628355857.db2.gz STSGCYPDEFZQRR-WMLDXEAASA-N 0 1 292.398 2.703 20 10 CFCDMN CCOc1ccc(O)c(CN2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000779149796 628356247 /nfs/dbraw/zinc/35/62/47/628356247.db2.gz PFJNUQUTZBIFER-RISCZKNCSA-N 0 1 267.344 2.971 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC=CCC1 ZINC000779159202 628356986 /nfs/dbraw/zinc/35/69/86/628356986.db2.gz BUFATFMYIIKYKD-UHFFFAOYSA-N 0 1 268.154 2.917 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC=CCC2)c1[O-] ZINC000779159643 628357299 /nfs/dbraw/zinc/35/72/99/628357299.db2.gz OPDAWSXJYSWZSM-UHFFFAOYSA-N 0 1 268.700 2.716 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738465 628740222 /nfs/dbraw/zinc/74/02/22/628740222.db2.gz WIPDMCRRDOSQCM-XQQFMLRXSA-N 0 1 279.380 2.789 20 10 CFCDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000788269056 629053067 /nfs/dbraw/zinc/05/30/67/629053067.db2.gz KYEHQXDYOCOJTD-OIBJUYFYSA-N 0 1 276.163 2.654 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000790426993 629238415 /nfs/dbraw/zinc/23/84/15/629238415.db2.gz TTWFQUBRTRHGFJ-INIZCTEOSA-N 0 1 276.424 3.000 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2CCc3c[nH]nc3C2)cc1 ZINC000835026042 629321887 /nfs/dbraw/zinc/32/18/87/629321887.db2.gz OLDUNRVYUUVPEA-ARJAWSKDSA-N 0 1 282.391 2.547 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792167223 629403971 /nfs/dbraw/zinc/40/39/71/629403971.db2.gz FBRDUKPZRDDPTQ-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN Cc1noc([C@@H](C)NCc2c(O)ccc(Cl)c2F)n1 ZINC000792177015 629406339 /nfs/dbraw/zinc/40/63/39/629406339.db2.gz PZWHXYFOVNEWKP-ZCFIWIBFSA-N 0 1 285.706 2.727 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+](CCO)C1CCC1 ZINC000792180668 629406784 /nfs/dbraw/zinc/40/67/84/629406784.db2.gz RMWYUTAAHDZCFR-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793322751 629526588 /nfs/dbraw/zinc/52/65/88/629526588.db2.gz PNXBLFMHSZPQLY-ZDUSSCGKSA-N 0 1 269.772 2.686 20 10 CFCDMN CC[C@@H](NCc1ncnn1CC)c1cc(Cl)ccc1O ZINC000794842005 629693460 /nfs/dbraw/zinc/69/34/60/629693460.db2.gz ORYNVMDKANUFER-GFCCVEGCSA-N 0 1 294.786 2.898 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800529858 630394805 /nfs/dbraw/zinc/39/48/05/630394805.db2.gz HTFJXJQZOISCNN-UHFFFAOYSA-N 0 1 281.783 2.904 20 10 CFCDMN CCCC[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000801595307 630461489 /nfs/dbraw/zinc/46/14/89/630461489.db2.gz LKKVXYOUZUEHLS-AWEZNQCLSA-N 0 1 291.391 2.948 20 10 CFCDMN CCCC[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000801595307 630461493 /nfs/dbraw/zinc/46/14/93/630461493.db2.gz LKKVXYOUZUEHLS-AWEZNQCLSA-N 0 1 291.391 2.948 20 10 CFCDMN Oc1c(Br)cccc1CN1CCOCC12CC2 ZINC000802658700 630536889 /nfs/dbraw/zinc/53/68/89/630536889.db2.gz OEIJJPYNWOSDMK-UHFFFAOYSA-N 0 1 298.180 2.520 20 10 CFCDMN OC[C@@]1(F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802661721 630536899 /nfs/dbraw/zinc/53/68/99/630536899.db2.gz WVISBWOHKRBWPP-QGZVFWFLSA-N 0 1 292.398 2.583 20 10 CFCDMN CS[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840113794 630907705 /nfs/dbraw/zinc/90/77/05/630907705.db2.gz NZYLMJLPWZYXPA-GFCCVEGCSA-N 0 1 274.389 2.878 20 10 CFCDMN CS[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840113794 630907706 /nfs/dbraw/zinc/90/77/06/630907706.db2.gz NZYLMJLPWZYXPA-GFCCVEGCSA-N 0 1 274.389 2.878 20 10 CFCDMN CC[C@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839161 630912761 /nfs/dbraw/zinc/91/27/61/630912761.db2.gz ITDIJWOKSPQGGX-JTQLQIEISA-N 0 1 292.162 2.740 20 10 CFCDMN CCO[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840060 630912976 /nfs/dbraw/zinc/91/29/76/630912976.db2.gz WTQGZSKJXCRPHU-ZETCQYMHSA-N 0 1 292.162 2.740 20 10 CFCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]2COC[C@@H]21 ZINC000840155272 631070006 /nfs/dbraw/zinc/07/00/06/631070006.db2.gz WEEXKKIBGCCYGJ-JKSUJKDBSA-N 0 1 298.386 2.797 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]2COC[C@@H]21 ZINC000840155272 631070008 /nfs/dbraw/zinc/07/00/08/631070008.db2.gz WEEXKKIBGCCYGJ-JKSUJKDBSA-N 0 1 298.386 2.797 20 10 CFCDMN C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000840765659 631220640 /nfs/dbraw/zinc/22/06/40/631220640.db2.gz GLJZCQZCGCAFOT-JTQLQIEISA-N 0 1 279.771 2.672 20 10 CFCDMN COc1cc(CN2CCO[C@H](C3CCC3)C2)c(O)cc1C ZINC000840175702 631225309 /nfs/dbraw/zinc/22/53/09/631225309.db2.gz MMVNTNCFGAIQCZ-KRWDZBQOSA-N 0 1 291.391 2.710 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C)C2)c(Cl)c1 ZINC000840884475 631251126 /nfs/dbraw/zinc/25/11/26/631251126.db2.gz NKILACSIRULYAY-NSHDSACASA-N 0 1 268.788 2.538 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(C)C)c(Cl)c1 ZINC000840897365 631255356 /nfs/dbraw/zinc/25/53/56/631255356.db2.gz SFAFCDXYCORIPT-CQSZACIVSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CCO)CC2CC2)c(Cl)c1 ZINC000840912879 631262946 /nfs/dbraw/zinc/26/29/46/631262946.db2.gz YMCZPYJKNNKOQY-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CCO)CC2CC2)c(Cl)c1 ZINC000840912879 631262950 /nfs/dbraw/zinc/26/29/50/631262950.db2.gz YMCZPYJKNNKOQY-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN CCOCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840936911 631268508 /nfs/dbraw/zinc/26/85/08/631268508.db2.gz NSFWKNVRWBLHNV-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CCOCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840936911 631268514 /nfs/dbraw/zinc/26/85/14/631268514.db2.gz NSFWKNVRWBLHNV-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CCOCCN(C)Cc1c(O)cc(C)cc1Cl ZINC000840936911 631268519 /nfs/dbraw/zinc/26/85/19/631268519.db2.gz NSFWKNVRWBLHNV-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C(C)C)C1 ZINC000840936398 631268885 /nfs/dbraw/zinc/26/88/85/631268885.db2.gz HVPVKZMMVZBOPE-KRWDZBQOSA-N 0 1 276.424 2.918 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCOC2)c(Cl)c1 ZINC000840938732 631269810 /nfs/dbraw/zinc/26/98/10/631269810.db2.gz GEMVIGSCALYRQE-LLVKDONJSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc(O)c(CNCc2n[nH]c(C(C)C)n2)c(Cl)c1 ZINC000840950906 631279681 /nfs/dbraw/zinc/27/96/81/631279681.db2.gz QLKAPGOEBWSKFM-UHFFFAOYSA-N 0 1 294.786 2.885 20 10 CFCDMN C[N@@H+](CCCn1ccnc1)Cc1c([O-])ccc(Cl)c1F ZINC000809753545 631280775 /nfs/dbraw/zinc/28/07/75/631280775.db2.gz WKDPWNCJWIDSIV-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000840970724 631289635 /nfs/dbraw/zinc/28/96/35/631289635.db2.gz WQVCPMTZLWSSGC-SNVBAGLBSA-N 0 1 294.351 2.929 20 10 CFCDMN CC(C)[C@@H](N)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841028905 631308011 /nfs/dbraw/zinc/30/80/11/631308011.db2.gz KTQMURKVSCNQGI-NSHDSACASA-N 0 1 277.195 2.772 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000841101169 631339697 /nfs/dbraw/zinc/33/96/97/631339697.db2.gz QPOZDUSJEXCQGX-KOLCDFICSA-N 0 1 286.778 2.601 20 10 CFCDMN C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000841101168 631340498 /nfs/dbraw/zinc/34/04/98/631340498.db2.gz QPOZDUSJEXCQGX-GXSJLCMTSA-N 0 1 286.778 2.601 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000841750683 631464535 /nfs/dbraw/zinc/46/45/35/631464535.db2.gz ABZCHGGJRLCYEG-CBAPKCEASA-N 0 1 279.714 2.712 20 10 CFCDMN CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000841748328 631464663 /nfs/dbraw/zinc/46/46/63/631464663.db2.gz KRTWZLKGLPASBT-MFKMUULPSA-N 0 1 296.798 2.706 20 10 CFCDMN C[C@@H]([NH2+]CCOCC(F)F)c1ccc(Cl)cc1[O-] ZINC000841751879 631465287 /nfs/dbraw/zinc/46/52/87/631465287.db2.gz LDUGIQRUKJBSPS-MRVPVSSYSA-N 0 1 279.714 2.978 20 10 CFCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000841751820 631465983 /nfs/dbraw/zinc/46/59/83/631465983.db2.gz KQRQROHHEOHFFT-DGFSRKRXSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841755417 631466946 /nfs/dbraw/zinc/46/69/46/631466946.db2.gz PIPQGFMCFMEDDV-NOZJJQNGSA-N 0 1 287.812 2.564 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H](C)O ZINC000841757350 631468400 /nfs/dbraw/zinc/46/84/00/631468400.db2.gz NMFTVIZOYXPLOY-PTRXPTGYSA-N 0 1 257.761 2.856 20 10 CFCDMN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841761137 631469439 /nfs/dbraw/zinc/46/94/39/631469439.db2.gz WNFVLTBJWAVRTR-PWSUYJOCSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@H](CCC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841809882 631474607 /nfs/dbraw/zinc/47/46/07/631474607.db2.gz BZZGSHDXVPBZEQ-MRVPVSSYSA-N 0 1 289.734 2.918 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000842929230 631784377 /nfs/dbraw/zinc/78/43/77/631784377.db2.gz NHVXSDVITKUPRF-YWVKMMECSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000842929227 631784454 /nfs/dbraw/zinc/78/44/54/631784454.db2.gz NHVXSDVITKUPRF-FXPVBKGRSA-N 0 1 255.745 2.874 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC000843041139 631810399 /nfs/dbraw/zinc/81/03/99/631810399.db2.gz OVQHOTUKXZVCTM-YGRLFVJLSA-N 0 1 277.364 2.552 20 10 CFCDMN CN(C)c1ccc(/C=C\CNCc2ccno2)cc1 ZINC000843402866 631945720 /nfs/dbraw/zinc/94/57/20/631945720.db2.gz QGKAVMQFERJGGA-ARJAWSKDSA-N 0 1 257.337 2.544 20 10 CFCDMN CCOc1ccc(CN2CCOC[C@@H]2C2CCC2)c(O)c1 ZINC000843428720 631955484 /nfs/dbraw/zinc/95/54/84/631955484.db2.gz MDHDEMLUXVZOIA-MRXNPFEDSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000843434649 631958211 /nfs/dbraw/zinc/95/82/11/631958211.db2.gz CNLSGSJSNBLSJM-CYBMUJFWSA-N 0 1 291.391 2.934 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CO ZINC000814169588 632021547 /nfs/dbraw/zinc/02/15/47/632021547.db2.gz JHJBMMCVGPQUCZ-MRVPVSSYSA-N 0 1 278.179 2.902 20 10 CFCDMN Cc1cc(N(C)C)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000844161901 632130516 /nfs/dbraw/zinc/13/05/16/632130516.db2.gz TWDOEHLJSLZVBR-UHFFFAOYSA-N 0 1 285.395 2.529 20 10 CFCDMN CCCN(Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844299287 632160698 /nfs/dbraw/zinc/16/06/98/632160698.db2.gz ACTWWDAMGJSWGZ-UHFFFAOYSA-N 0 1 285.391 2.947 20 10 CFCDMN Oc1cc2c(cc1CNCc1cc(F)ccc1F)OCO2 ZINC000105496137 632169313 /nfs/dbraw/zinc/16/93/13/632169313.db2.gz RFZMYOXATINWGI-UHFFFAOYSA-N 0 1 293.269 2.689 20 10 CFCDMN CCc1nocc1CNCc1ccc2c(c1)CCCN2C ZINC000815122802 632206453 /nfs/dbraw/zinc/20/64/53/632206453.db2.gz SCJSZHFYNKOGIN-UHFFFAOYSA-N 0 1 285.391 2.909 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)[C@H](C)CO1 ZINC000844733933 632291605 /nfs/dbraw/zinc/29/16/05/632291605.db2.gz YEQQNMMSLNJUFM-TZMCWYRMSA-N 0 1 279.380 2.709 20 10 CFCDMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000844938974 632343134 /nfs/dbraw/zinc/34/31/34/632343134.db2.gz XOTAXJLUZMMYMQ-IDTUSYRASA-N 0 1 276.380 2.561 20 10 CFCDMN COCC[NH+](CCOC)Cc1ccc2ccccc2c1[O-] ZINC000816480395 632467446 /nfs/dbraw/zinc/46/74/46/632467446.db2.gz MCDCQRRZWMNDQZ-UHFFFAOYSA-N 0 1 289.375 2.640 20 10 CFCDMN CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816487611 632469681 /nfs/dbraw/zinc/46/96/81/632469681.db2.gz SHHVXOZOLBAYPP-MRXNPFEDSA-N 0 1 298.386 2.646 20 10 CFCDMN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816487611 632469684 /nfs/dbraw/zinc/46/96/84/632469684.db2.gz SHHVXOZOLBAYPP-MRXNPFEDSA-N 0 1 298.386 2.646 20 10 CFCDMN CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816487610 632470325 /nfs/dbraw/zinc/47/03/25/632470325.db2.gz SHHVXOZOLBAYPP-INIZCTEOSA-N 0 1 298.386 2.646 20 10 CFCDMN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816487610 632470329 /nfs/dbraw/zinc/47/03/29/632470329.db2.gz SHHVXOZOLBAYPP-INIZCTEOSA-N 0 1 298.386 2.646 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000816503639 632473376 /nfs/dbraw/zinc/47/33/76/632473376.db2.gz GONNNTKZCHCSCF-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000816503639 632473378 /nfs/dbraw/zinc/47/33/78/632473378.db2.gz GONNNTKZCHCSCF-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN C[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])[S@](C)=O ZINC000816563510 632485557 /nfs/dbraw/zinc/48/55/57/632485557.db2.gz AIFQWKRFGQTRAA-ODXCJYRJSA-N 0 1 291.416 2.792 20 10 CFCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586433 632490392 /nfs/dbraw/zinc/49/03/92/632490392.db2.gz HVKVTNBVUKEIHW-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816589239 632490417 /nfs/dbraw/zinc/49/04/17/632490417.db2.gz PLQKTLYPSUEKDQ-DOMZBBRYSA-N 0 1 299.370 2.929 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816589239 632490421 /nfs/dbraw/zinc/49/04/21/632490421.db2.gz PLQKTLYPSUEKDQ-DOMZBBRYSA-N 0 1 299.370 2.929 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc2ccccc21 ZINC000816590200 632490511 /nfs/dbraw/zinc/49/05/11/632490511.db2.gz SZFAWZGEDUXHIL-DOMZBBRYSA-N 0 1 271.360 2.796 20 10 CFCDMN [O-]c1c(C[NH2+]CCOCC(F)F)ccc2ccccc21 ZINC000816589013 632490665 /nfs/dbraw/zinc/49/06/65/632490665.db2.gz IQIKXGZNXRGBIR-UHFFFAOYSA-N 0 1 281.302 2.917 20 10 CFCDMN Cc1c(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000816594819 632491884 /nfs/dbraw/zinc/49/18/84/632491884.db2.gz PVXOOIHRCGYJPF-UHFFFAOYSA-N 0 1 297.761 2.859 20 10 CFCDMN CC(C)[C@@H](CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609842 632492863 /nfs/dbraw/zinc/49/28/63/632492863.db2.gz OLPHRIOMIZRRAH-OAHLLOKOSA-N 0 1 273.376 2.900 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CO ZINC000816653815 632504940 /nfs/dbraw/zinc/50/49/40/632504940.db2.gz JHJBMMCVGPQUCZ-QMMMGPOBSA-N 0 1 278.179 2.902 20 10 CFCDMN CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816660945 632507223 /nfs/dbraw/zinc/50/72/23/632507223.db2.gz VSXSIZPKJIYCNL-NSHDSACASA-N 0 1 286.778 2.711 20 10 CFCDMN COc1cccc(O)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666372 632508307 /nfs/dbraw/zinc/50/83/07/632508307.db2.gz LOLTWDHLFJVRJQ-DLBZAZTESA-N 0 1 289.375 2.544 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667036 632508983 /nfs/dbraw/zinc/50/89/83/632508983.db2.gz AOGHHKPIHIRVHR-OAHLLOKOSA-N 0 1 279.355 2.922 20 10 CFCDMN CCc1nocc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845972530 632607178 /nfs/dbraw/zinc/60/71/78/632607178.db2.gz RJDUMHZUDNTZSX-JTQLQIEISA-N 0 1 276.336 2.802 20 10 CFCDMN C[C@H](O)[C@@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000846019430 632616361 /nfs/dbraw/zinc/61/63/61/632616361.db2.gz ZHFPPQSCWXORBU-MGPLVRAMSA-N 0 1 293.313 2.882 20 10 CFCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412651 632624174 /nfs/dbraw/zinc/62/41/74/632624174.db2.gz NRLHPWXRVATEFX-NXEZZACHSA-N 0 1 287.762 2.635 20 10 CFCDMN CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846056872 632625077 /nfs/dbraw/zinc/62/50/77/632625077.db2.gz BSWGKOMEXJMOOU-UHFFFAOYSA-N 0 1 279.771 2.942 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1(CO)CCC1 ZINC000846102255 632632046 /nfs/dbraw/zinc/63/20/46/632632046.db2.gz KAUMQKFSNOWDKD-UHFFFAOYSA-N 0 1 269.772 2.688 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)CCO)c(Cl)c1 ZINC000846111491 632634447 /nfs/dbraw/zinc/63/44/47/632634447.db2.gz QATOYGBKIZTSTM-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)CCO)c(Cl)c1 ZINC000846111491 632634455 /nfs/dbraw/zinc/63/44/55/632634455.db2.gz QATOYGBKIZTSTM-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN COc1cccc([C@@H](C)N[C@@H](CCO)c2ccco2)c1O ZINC000846164803 632650900 /nfs/dbraw/zinc/65/09/00/632650900.db2.gz RHNGAORSZPJYGX-YPMHNXCESA-N 0 1 291.347 2.768 20 10 CFCDMN COc1cccc([C@H](C)NCc2cccnc2F)c1O ZINC000846167016 632652457 /nfs/dbraw/zinc/65/24/57/632652457.db2.gz GEKRBRFRINHBHM-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)CCF)c1ccc2ccccc2c1[O-] ZINC000846209303 632660718 /nfs/dbraw/zinc/66/07/18/632660718.db2.gz QFAJTHMPPJMGNS-AAEUAGOBSA-N 0 1 277.339 2.917 20 10 CFCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CC)cc1 ZINC000846279328 632682402 /nfs/dbraw/zinc/68/24/02/632682402.db2.gz ZJUWMIKTPXEUAP-ZDUSSCGKSA-N 0 1 278.396 2.828 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1N(C)C ZINC000846282190 632684117 /nfs/dbraw/zinc/68/41/17/632684117.db2.gz WOKGAHFYWYQBLN-UKRRQHHQSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1c[nH]nn1 ZINC000819495427 633184549 /nfs/dbraw/zinc/18/45/49/633184549.db2.gz YKOOXDCIVUETIY-UHFFFAOYSA-N 0 1 287.348 2.526 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060511 635921232 /nfs/dbraw/zinc/92/12/32/635921232.db2.gz APOJUPHTXXHOIV-VXGBXAGGSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060511 635921234 /nfs/dbraw/zinc/92/12/34/635921234.db2.gz APOJUPHTXXHOIV-VXGBXAGGSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060511 635921239 /nfs/dbraw/zinc/92/12/39/635921239.db2.gz APOJUPHTXXHOIV-VXGBXAGGSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1CO ZINC000857060716 635921810 /nfs/dbraw/zinc/92/18/10/635921810.db2.gz FIEIDVGURMLZKW-XJKSGUPXSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1CO ZINC000857060716 635921812 /nfs/dbraw/zinc/92/18/12/635921812.db2.gz FIEIDVGURMLZKW-XJKSGUPXSA-N 0 1 285.387 2.996 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCCn2ccnc21 ZINC000848531173 633279035 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CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000872127593 641655845 /nfs/dbraw/zinc/65/58/45/641655845.db2.gz YQPOFXPTNXJZMD-IRUJWGPZSA-N 0 1 269.772 2.857 20 10 CFCDMN COc1cccc([C@H](C)N[C@H](C)c2nccnc2C)c1O ZINC000872131172 641658845 /nfs/dbraw/zinc/65/88/45/641658845.db2.gz QRGIMPJEESBPGF-CMPLNLGQSA-N 0 1 287.363 2.911 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000872161525 641682160 /nfs/dbraw/zinc/68/21/60/641682160.db2.gz VAYJBSHLKMMNTP-CXAGYDPISA-N 0 1 290.407 2.685 20 10 CFCDMN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000872818181 641946151 /nfs/dbraw/zinc/94/61/51/641946151.db2.gz HITIFEGEFROFSP-NHYWBVRUSA-N 0 1 293.407 2.932 20 10 CFCDMN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000872818181 641946153 /nfs/dbraw/zinc/94/61/53/641946153.db2.gz HITIFEGEFROFSP-NHYWBVRUSA-N 0 1 293.407 2.932 20 10 CFCDMN CCCOc1ccc(CNCc2ccnn2C)cc1C ZINC000873012400 641984571 /nfs/dbraw/zinc/98/45/71/641984571.db2.gz 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C[NH+](C)C[C@@H]1CCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122911 779020601 /nfs/dbraw/zinc/02/06/01/779020601.db2.gz ACXJIJLYZRUSOG-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN CC[NH+]1C[C@@H]2CN(Cc3c([O-])ccc(F)c3Cl)C[C@H]2C1 ZINC001237128529 779020881 /nfs/dbraw/zinc/02/08/81/779020881.db2.gz RCPSPAHCKZMPEH-GHMZBOCLSA-N 0 1 298.789 2.568 20 10 CFCDMN CC[N@@H+]1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@H]1C ZINC001237127817 779021927 /nfs/dbraw/zinc/02/19/27/779021927.db2.gz IRMYDBSKMACKFC-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@H]1C ZINC001237127817 779021935 /nfs/dbraw/zinc/02/19/35/779021935.db2.gz IRMYDBSKMACKFC-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237131085 779022503 /nfs/dbraw/zinc/02/25/03/779022503.db2.gz SZHIKRNOFBXWGZ-MEBBXXQBSA-N 0 1 298.789 2.568 20 10 CFCDMN C[N@H+](C1CC1)[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237131082 779022948 /nfs/dbraw/zinc/02/29/48/779022948.db2.gz SWASESOBZNXRAS-NSHDSACASA-N 0 1 298.789 2.853 20 10 CFCDMN C[N@@H+](C1CC1)[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237131082 779022955 /nfs/dbraw/zinc/02/29/55/779022955.db2.gz SWASESOBZNXRAS-NSHDSACASA-N 0 1 298.789 2.853 20 10 CFCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237405487 779099029 /nfs/dbraw/zinc/09/90/29/779099029.db2.gz QTADSORATFSDOU-SMDDNHRTSA-N 0 1 280.799 2.620 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237411474 779101244 /nfs/dbraw/zinc/10/12/44/779101244.db2.gz GFRUWPDBZYWJCJ-MFKMUULPSA-N 0 1 298.789 2.759 20 10 CFCDMN COc1cc2c(cn1)CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237494873 779120607 /nfs/dbraw/zinc/12/06/07/779120607.db2.gz MKACXAVWMMWRBH-UHFFFAOYSA-N 0 1 284.359 2.663 20 10 CFCDMN O=C1CN(Cc2cc(Cl)cc(F)c2O)CCC[C@H]1F ZINC001237617393 779143880 /nfs/dbraw/zinc/14/38/80/779143880.db2.gz PRQDNSGKUJUAAC-SNVBAGLBSA-N 0 1 289.709 2.688 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)CCC1=O ZINC001237616503 779143970 /nfs/dbraw/zinc/14/39/70/779143970.db2.gz FJLQHRNHEQPACC-SECBINFHSA-N 0 1 285.746 2.986 20 10 CFCDMN CC[N@H+]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237615957 779144030 /nfs/dbraw/zinc/14/40/30/779144030.db2.gz CCQYPMDADZIFAZ-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN O=C1CCN(Cc2cc(Cl)cc(F)c2O)CC[C@H]1F ZINC001237617113 779144742 /nfs/dbraw/zinc/14/47/42/779144742.db2.gz KRNNCRGKPTTZKX-SNVBAGLBSA-N 0 1 289.709 2.688 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC001237618369 779146291 /nfs/dbraw/zinc/14/62/91/779146291.db2.gz ZFNIGBXNGHOCMM-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN CN1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC001237624034 779147585 /nfs/dbraw/zinc/14/75/85/779147585.db2.gz VGCNFBPYLREIRU-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC001237624034 779147586 /nfs/dbraw/zinc/14/75/86/779147586.db2.gz VGCNFBPYLREIRU-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)Cc2cncnc2)c1O ZINC001237691199 779162656 /nfs/dbraw/zinc/16/26/56/779162656.db2.gz ZRSOWZQTBPQJIM-UHFFFAOYSA-N 0 1 277.755 2.776 20 10 CFCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799629 779181279 /nfs/dbraw/zinc/18/12/79/779181279.db2.gz SHSUEWOEUWLCEA-KWQFWETISA-N 0 1 273.735 2.530 20 10 CFCDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804805 779183176 /nfs/dbraw/zinc/18/31/76/779183176.db2.gz HASVBOGXGMIXSL-CYBMUJFWSA-N 0 1 298.789 2.853 20 10 CFCDMN C[C@]1(O)CCCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804764 779183465 /nfs/dbraw/zinc/18/34/65/779183465.db2.gz FWSQZNDNOJFISI-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@H]1O ZINC001237807783 779184584 /nfs/dbraw/zinc/18/45/84/779184584.db2.gz LYGBRXBWXVPRDR-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN COc1ccoc1CN1CCc2cccc(O)c2C1 ZINC001237873716 779198013 /nfs/dbraw/zinc/19/80/13/779198013.db2.gz HFRQSEBSKRSHPG-UHFFFAOYSA-N 0 1 259.305 2.552 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237950218 779213953 /nfs/dbraw/zinc/21/39/53/779213953.db2.gz RASUJICWYVZOMR-OWUUHHOZSA-N 0 1 273.710 2.832 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237950537 779213987 /nfs/dbraw/zinc/21/39/87/779213987.db2.gz WLMJWWVUBINVBW-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN Cc1cc(F)cc(CN2CCC[C@@H]2c2cnccn2)c1O ZINC001238063469 779242634 /nfs/dbraw/zinc/24/26/34/779242634.db2.gz WRQXFJCQFTUSFA-OAHLLOKOSA-N 0 1 287.338 2.967 20 10 CFCDMN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000328199166 779413531 /nfs/dbraw/zinc/41/35/31/779413531.db2.gz DYNKIWRFBRPTON-GFCCVEGCSA-N 0 1 255.745 2.703 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc(F)c1F ZINC000703458469 781014860 /nfs/dbraw/zinc/01/48/60/781014860.db2.gz JETILKJOAFZPEC-CHWSQXEVSA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccc(F)c1F ZINC000703458469 781014866 /nfs/dbraw/zinc/01/48/66/781014866.db2.gz JETILKJOAFZPEC-CHWSQXEVSA-N 0 1 283.318 2.814 20 10 CFCDMN COC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703480450 781015845 /nfs/dbraw/zinc/01/58/45/781015845.db2.gz BFWPBDVRDVTJKC-LLVKDONJSA-N 0 1 271.307 2.671 20 10 CFCDMN Oc1c(CN2CCCC(F)(F)C2)ccc(F)c1F ZINC000703504384 781017081 /nfs/dbraw/zinc/01/70/81/781017081.db2.gz XYMYLYFAMQKMKY-UHFFFAOYSA-N 0 1 263.234 2.902 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCCO1 ZINC000703539769 781026363 /nfs/dbraw/zinc/02/63/63/781026363.db2.gz DATJMVVYPZMVRC-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)CO1 ZINC000703541269 781027308 /nfs/dbraw/zinc/02/73/08/781027308.db2.gz MRVFJDSYKMXGOG-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)CO1 ZINC000703541269 781027314 /nfs/dbraw/zinc/02/73/14/781027314.db2.gz MRVFJDSYKMXGOG-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN COCC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837914 781142070 /nfs/dbraw/zinc/14/20/70/781142070.db2.gz YXNYWIGYRFUGGZ-GFCCVEGCSA-N 0 1 267.344 2.922 20 10 CFCDMN CSC[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706834284 781204766 /nfs/dbraw/zinc/20/47/66/781204766.db2.gz SJEKINXBMUGZGQ-QMMMGPOBSA-N 0 1 290.226 2.996 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]CCCCF ZINC000706830461 781204842 /nfs/dbraw/zinc/20/48/42/781204842.db2.gz XSSMMMLVAKARSR-UHFFFAOYSA-N 0 1 276.149 2.994 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000707542747 781255449 /nfs/dbraw/zinc/25/54/49/781255449.db2.gz AYUJLGZIEOIUOX-BZPMIXESSA-N 0 1 271.360 2.967 20 10 CFCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708382028 781271905 /nfs/dbraw/zinc/27/19/05/781271905.db2.gz DCPFDGHGDJJLLQ-GFCCVEGCSA-N 0 1 271.307 2.670 20 10 CFCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412512 781272833 /nfs/dbraw/zinc/27/28/33/781272833.db2.gz ICXLUSVDPBJMCM-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000708411604 781272878 /nfs/dbraw/zinc/27/28/78/781272878.db2.gz BLXOTQCSZVVGQY-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414350 781274030 /nfs/dbraw/zinc/27/40/30/781274030.db2.gz RGKGBAFONISKAI-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433480 781275168 /nfs/dbraw/zinc/27/51/68/781275168.db2.gz KFPFPOHZDCJRNJ-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN CO[C@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000708695635 781277281 /nfs/dbraw/zinc/27/72/81/781277281.db2.gz CRHPONIMIAVHBN-AOOOYVTPSA-N 0 1 255.745 2.560 20 10 CFCDMN CC(C)(C)[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709018546 781286765 /nfs/dbraw/zinc/28/67/65/781286765.db2.gz BSYFADLISZIWFK-GFCCVEGCSA-N 0 1 285.334 2.917 20 10 CFCDMN CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709018546 781286769 /nfs/dbraw/zinc/28/67/69/781286769.db2.gz BSYFADLISZIWFK-GFCCVEGCSA-N 0 1 285.334 2.917 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711502765 781448355 /nfs/dbraw/zinc/44/83/55/781448355.db2.gz OOZGEQOXPIPQJX-VIFPVBQESA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711502765 781448362 /nfs/dbraw/zinc/44/83/62/781448362.db2.gz OOZGEQOXPIPQJX-VIFPVBQESA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH+]1CCCC1 ZINC000606294392 781632425 /nfs/dbraw/zinc/63/24/25/781632425.db2.gz QBLUVHLXUNRHRH-UHFFFAOYSA-N 0 1 256.143 2.751 20 10 CFCDMN CN(C)c1ncc(CN(C)Cc2ccccc2O)s1 ZINC000091974450 347605304 /nfs/dbraw/zinc/60/53/04/347605304.db2.gz HGTYPQBTUTYUKY-UHFFFAOYSA-N 0 1 277.393 2.547 20 10 CFCDMN CC(C)(CO)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000294673129 199128914 /nfs/dbraw/zinc/12/89/14/199128914.db2.gz BABHPOYYATYVMK-UHFFFAOYSA-N 0 1 257.761 2.544 20 10 CFCDMN Cc1occc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000092451859 375111671 /nfs/dbraw/zinc/11/16/71/375111671.db2.gz WICQUDPNPFNMMR-UHFFFAOYSA-N 0 1 275.304 2.654 20 10 CFCDMN CCCOc1ccc(CN2CCOC3(CCC3)C2)c(O)c1 ZINC000093640454 375281941 /nfs/dbraw/zinc/28/19/41/375281941.db2.gz QXGODERMPNODRF-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN CN(CC(=O)N(C)C1CCCCC1)Cc1ccccc1O ZINC000111235493 375833988 /nfs/dbraw/zinc/83/39/88/375833988.db2.gz DJZGPRSILLIVJO-UHFFFAOYSA-N 0 1 290.407 2.615 20 10 CFCDMN CN1CC[N@@H+](Cc2ccccc2O)[C@H](c2ccccc2)C1 ZINC000155227882 378617022 /nfs/dbraw/zinc/61/70/22/378617022.db2.gz HAVPGYQKGAMZTL-KRWDZBQOSA-N 0 1 282.387 2.881 20 10 CFCDMN CN1CCC[C@H](C[N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000179734297 380575025 /nfs/dbraw/zinc/57/50/25/380575025.db2.gz GAQLLFQWUQCWPH-LBPRGKRZSA-N 0 1 282.815 2.819 20 10 CFCDMN CN1CCC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000179734297 380575030 /nfs/dbraw/zinc/57/50/30/380575030.db2.gz GAQLLFQWUQCWPH-LBPRGKRZSA-N 0 1 282.815 2.819 20 10 CFCDMN CN1CCC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000179734309 380575129 /nfs/dbraw/zinc/57/51/29/380575129.db2.gz GAQLLFQWUQCWPH-GFCCVEGCSA-N 0 1 282.815 2.819 20 10 CFCDMN CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000179734309 380575133 /nfs/dbraw/zinc/57/51/33/380575133.db2.gz GAQLLFQWUQCWPH-GFCCVEGCSA-N 0 1 282.815 2.819 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000179780300 380580123 /nfs/dbraw/zinc/58/01/23/380580123.db2.gz DJIYJDWQXPORRT-GFCCVEGCSA-N 0 1 287.363 2.504 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1F ZINC000180189514 380629841 /nfs/dbraw/zinc/62/98/41/380629841.db2.gz JVKLLNGKYRSCNX-MRXNPFEDSA-N 0 1 280.387 2.629 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCS1 ZINC000180312584 380645100 /nfs/dbraw/zinc/64/51/00/380645100.db2.gz IXKGNQGVURNZJA-CYBMUJFWSA-N 0 1 267.394 2.728 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCOCC2)c1[O-] ZINC000179881185 380592293 /nfs/dbraw/zinc/59/22/93/380592293.db2.gz MUIZZZCFNIQDII-JTQLQIEISA-N 0 1 295.354 2.639 20 10 CFCDMN CCC[C@](C)(NCc1cccc(Cl)c1O)C(=O)OC ZINC000180035797 380613353 /nfs/dbraw/zinc/61/33/53/380613353.db2.gz WIIYGSZNGNSCTE-AWEZNQCLSA-N 0 1 285.771 2.867 20 10 CFCDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180158964 380625683 /nfs/dbraw/zinc/62/56/83/380625683.db2.gz BJFOCRIEHDGYNN-LBPRGKRZSA-N 0 1 267.344 2.780 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180392872 380650865 /nfs/dbraw/zinc/65/08/65/380650865.db2.gz DRLJIOJXGZHFAK-ZDUSSCGKSA-N 0 1 294.826 2.963 20 10 CFCDMN C[C@@H](O)c1ncc(CN(C)Cc2ccccc2O)s1 ZINC000289091308 381025489 /nfs/dbraw/zinc/02/54/89/381025489.db2.gz LIVNOSHADWBZPP-SNVBAGLBSA-N 0 1 278.377 2.534 20 10 CFCDMN CCCC[N@@H+](CCCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000182163612 381007720 /nfs/dbraw/zinc/00/77/20/381007720.db2.gz DQBORLQAOMYYOM-UHFFFAOYSA-N 0 1 297.370 2.718 20 10 CFCDMN Cc1ccc([C@H](C)NCc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000296397634 381378010 /nfs/dbraw/zinc/37/80/10/381378010.db2.gz KICLPDMSQKAWMO-NSHDSACASA-N 0 1 274.368 2.793 20 10 CFCDMN C[C@H]([NH2+]CCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000184837337 381484967 /nfs/dbraw/zinc/48/49/67/381484967.db2.gz GTGNFMVNQZAUOV-NSHDSACASA-N 0 1 279.771 2.983 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(=O)NC(C)(C)C ZINC000185217855 381566529 /nfs/dbraw/zinc/56/65/29/381566529.db2.gz GJQYZEZTJJDIGY-NXEZZACHSA-N 0 1 298.814 2.999 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000359908424 381672923 /nfs/dbraw/zinc/67/29/23/381672923.db2.gz XXQOIXMZXJGVJY-LBPRGKRZSA-N 0 1 287.338 2.701 20 10 CFCDMN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185638463 381690151 /nfs/dbraw/zinc/69/01/51/381690151.db2.gz PIUWLDVPJHJJJX-ZANVPECISA-N 0 1 287.812 2.564 20 10 CFCDMN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185673080 381701996 /nfs/dbraw/zinc/70/19/96/381701996.db2.gz XZKSEBOXZRGWNG-MDZLAQPJSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186075826 381817556 /nfs/dbraw/zinc/81/75/56/381817556.db2.gz YFAZFTKMDGJKJX-MNOVXSKESA-N 0 1 269.360 2.979 20 10 CFCDMN C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000292865145 381872681 /nfs/dbraw/zinc/87/26/81/381872681.db2.gz VRSOUTMLYOPBFF-OAHLLOKOSA-N 0 1 280.799 2.573 20 10 CFCDMN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000373478837 382014841 /nfs/dbraw/zinc/01/48/41/382014841.db2.gz HXAVWLACKJUEFH-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000373478837 382014848 /nfs/dbraw/zinc/01/48/48/382014848.db2.gz HXAVWLACKJUEFH-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375298179 382075682 /nfs/dbraw/zinc/07/56/82/382075682.db2.gz ACJPPGPMCUGXKU-HNNXBMFYSA-N 0 1 279.355 2.922 20 10 CFCDMN CCC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000293785947 382278097 /nfs/dbraw/zinc/27/80/97/382278097.db2.gz WZWRTDYDOMIYOW-SNVBAGLBSA-N 0 1 257.761 2.950 20 10 CFCDMN CO[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000188113303 382346076 /nfs/dbraw/zinc/34/60/76/382346076.db2.gz MFSSOTARSKZWLA-BDAKNGLRSA-N 0 1 288.185 2.840 20 10 CFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377890501 382366035 /nfs/dbraw/zinc/36/60/35/382366035.db2.gz VWADLTFEXSTLHF-LBPRGKRZSA-N 0 1 291.782 2.769 20 10 CFCDMN CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294222961 382466134 /nfs/dbraw/zinc/46/61/34/382466134.db2.gz YYSRSWSWAGXHCN-ZWKOTPCHSA-N 0 1 286.419 2.896 20 10 CFCDMN CC[C@@H](c1ccccc1O)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000367306940 382563765 /nfs/dbraw/zinc/56/37/65/382563765.db2.gz BTEZHUVYAJGBDY-BNOWGMLFSA-N 0 1 277.364 2.584 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190304826 382661332 /nfs/dbraw/zinc/66/13/32/382661332.db2.gz CEFJKDHHJRAZTF-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN C[C@@H](O)CC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000266162784 384100703 /nfs/dbraw/zinc/10/07/03/384100703.db2.gz OCBPRBPTOUOPEE-SNVBAGLBSA-N 0 1 271.788 2.932 20 10 CFCDMN CNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000268339639 384608119 /nfs/dbraw/zinc/60/81/19/384608119.db2.gz VDTISHNUDSEOJG-AWEZNQCLSA-N 0 1 298.386 2.701 20 10 CFCDMN CCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271020260 385304864 /nfs/dbraw/zinc/30/48/64/385304864.db2.gz BPZCXFLLCYMJAS-UHFFFAOYSA-N 0 1 278.179 2.903 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)OC[C@H]2CC)c1 ZINC000271008288 385300462 /nfs/dbraw/zinc/30/04/62/385300462.db2.gz OORIJNJVEJBEFQ-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2CC)c1 ZINC000271008290 385300591 /nfs/dbraw/zinc/30/05/91/385300591.db2.gz OORIJNJVEJBEFQ-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000286351293 385596331 /nfs/dbraw/zinc/59/63/31/385596331.db2.gz FPAHSFRTJPTYFC-ZIAGYGMSSA-N 0 1 297.782 2.593 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000286351293 385596334 /nfs/dbraw/zinc/59/63/34/385596334.db2.gz FPAHSFRTJPTYFC-ZIAGYGMSSA-N 0 1 297.782 2.593 20 10 CFCDMN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273348076 385676570 /nfs/dbraw/zinc/67/65/70/385676570.db2.gz BEMQWBDEILESRK-MHNGPXOMSA-N 0 1 289.828 2.853 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2ccccn2)cc1F ZINC000273390580 385681457 /nfs/dbraw/zinc/68/14/57/385681457.db2.gz JONQQXXSTAWDJG-UHFFFAOYSA-N 0 1 273.355 2.919 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCS1 ZINC000190683770 393583882 /nfs/dbraw/zinc/58/38/82/393583882.db2.gz QMXXGYBGMGHFEC-SNVBAGLBSA-N 0 1 255.358 2.859 20 10 CFCDMN C[C@H](C(=O)N1CCCCCC1)N(C)Cc1ccccc1O ZINC000109771309 393879512 /nfs/dbraw/zinc/87/95/12/393879512.db2.gz ARTCDLAODRWNFS-CQSZACIVSA-N 0 1 290.407 2.615 20 10 CFCDMN CCCOc1ccc(CN(C)Cc2cnn(C)c2)c(O)c1 ZINC000119714318 393923710 /nfs/dbraw/zinc/92/37/10/393923710.db2.gz QYHVEVLSRPMZFE-UHFFFAOYSA-N 0 1 289.379 2.547 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2ncnn2C(C)(C)C)c(O)c1 ZINC000281922109 394095058 /nfs/dbraw/zinc/09/50/58/394095058.db2.gz AOIBUUCNEITMJU-GFCCVEGCSA-N 0 1 288.395 2.898 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035601261 172290067 /nfs/dbraw/zinc/29/00/67/172290067.db2.gz DFEIAQRBBIRJIC-OAHLLOKOSA-N 0 1 277.751 2.869 20 10 CFCDMN C[C@H](CCCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185688587 262066441 /nfs/dbraw/zinc/06/64/41/262066441.db2.gz USTWQQHLQCBQFG-NXEZZACHSA-N 0 1 257.761 2.857 20 10 CFCDMN CN(C)c1ccc(CN2CCc3ncccc3C2)cc1 ZINC000367859770 267123315 /nfs/dbraw/zinc/12/33/15/267123315.db2.gz QOHMSGWYJYNGDY-UHFFFAOYSA-N 0 1 267.376 2.706 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369394126 267240734 /nfs/dbraw/zinc/24/07/34/267240734.db2.gz ZGLLVJITUCPGCY-CQSZACIVSA-N 0 1 288.322 2.580 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000124543241 297031670 /nfs/dbraw/zinc/03/16/70/297031670.db2.gz QVXCZYRBJSKITH-NXEZZACHSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000124543241 297031672 /nfs/dbraw/zinc/03/16/72/297031672.db2.gz QVXCZYRBJSKITH-NXEZZACHSA-N 0 1 255.745 2.655 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cn[nH]c2)c1[O-] ZINC000275244254 518279051 /nfs/dbraw/zinc/27/90/51/518279051.db2.gz XPAKKMSHLMMJPF-MRVPVSSYSA-N 0 1 293.754 2.822 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)C(C)(C)C)c1[O-] ZINC000181469085 518286859 /nfs/dbraw/zinc/28/68/59/518286859.db2.gz TUOKQGSLFHYVMR-AWEZNQCLSA-N 0 1 297.370 2.621 20 10 CFCDMN CCC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000226648588 521296155 /nfs/dbraw/zinc/29/61/55/521296155.db2.gz CSMBYSVMWKTKGL-ZDUSSCGKSA-N 0 1 257.761 2.686 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000133479324 521340283 /nfs/dbraw/zinc/34/02/83/521340283.db2.gz VVLSIZJMHGUQLF-LSDHHAIUSA-N 0 1 291.391 2.934 20 10 CFCDMN CCN(Cc1n[nH]c(C(C)C)n1)c1ccc(OC)cc1 ZINC000292554676 521446890 /nfs/dbraw/zinc/44/68/90/521446890.db2.gz RFOGPNMQDIMDRL-UHFFFAOYSA-N 0 1 274.368 2.963 20 10 CFCDMN CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191208407 521717952 /nfs/dbraw/zinc/71/79/52/521717952.db2.gz DZOCRHSFQJFNGC-WDEREUQCSA-N 0 1 284.350 2.663 20 10 CFCDMN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094949594 522508762 /nfs/dbraw/zinc/50/87/62/522508762.db2.gz WJTFPQAXNSNBEO-QWRGUYRKSA-N 0 1 255.333 2.591 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000294808979 522536496 /nfs/dbraw/zinc/53/64/96/522536496.db2.gz NQDHSIMVQRIZAX-UHFFFAOYSA-N 0 1 287.787 2.505 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)CO)c1[O-] ZINC000294808979 522536505 /nfs/dbraw/zinc/53/65/05/522536505.db2.gz NQDHSIMVQRIZAX-UHFFFAOYSA-N 0 1 287.787 2.505 20 10 CFCDMN CCc1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000290207287 522747744 /nfs/dbraw/zinc/74/77/44/522747744.db2.gz PONVLRPWUATLLO-SSDOTTSWSA-N 0 1 299.346 2.935 20 10 CFCDMN CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278212249 523252386 /nfs/dbraw/zinc/25/23/86/523252386.db2.gz KGUDNWAVACRYKS-LLVKDONJSA-N 0 1 294.351 2.931 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293828686 523408191 /nfs/dbraw/zinc/40/81/91/523408191.db2.gz GJSWGJVDMBKWPV-QMMMGPOBSA-N 0 1 261.724 2.651 20 10 CFCDMN CC[C@]1(C)CN(Cc2cc(F)ccc2O)CCO1 ZINC000191151134 523576382 /nfs/dbraw/zinc/57/63/82/523576382.db2.gz HCBFLSFHXRPYLY-CQSZACIVSA-N 0 1 253.317 2.532 20 10 CFCDMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)Cc1ccccc1O ZINC000264595693 524273795 /nfs/dbraw/zinc/27/37/95/524273795.db2.gz IEMLMSNLVNCLID-ZIAGYGMSSA-N 0 1 290.407 2.614 20 10 CFCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289500640 524539435 /nfs/dbraw/zinc/53/94/35/524539435.db2.gz SVFYNHYJPNKKBV-SSDOTTSWSA-N 0 1 264.152 2.512 20 10 CFCDMN COc1ccc(O)c(CN(Cc2ccccn2)C2CC2)c1 ZINC000290326945 524737003 /nfs/dbraw/zinc/73/70/03/524737003.db2.gz DKZRQMNHAPOFPL-UHFFFAOYSA-N 0 1 284.359 2.960 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000190305897 524874932 /nfs/dbraw/zinc/87/49/32/524874932.db2.gz CEFJKDHHJRAZTF-FZMZJTMJSA-N 0 1 283.799 2.995 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(F)ccc1[O-] ZINC000185609384 525415348 /nfs/dbraw/zinc/41/53/48/525415348.db2.gz LOOCCHAKUGUTTB-SNVBAGLBSA-N 0 1 255.333 2.591 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291309306 526325751 /nfs/dbraw/zinc/32/57/51/526325751.db2.gz RMUXGUSOIVJHBL-GFCCVEGCSA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366696861 526328334 /nfs/dbraw/zinc/32/83/34/526328334.db2.gz PRFDQRLGKREQEA-RISCZKNCSA-N 0 1 265.328 2.532 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000361053150 526329909 /nfs/dbraw/zinc/32/99/09/526329909.db2.gz QEVCTVLVDMVQIS-AWEZNQCLSA-N 0 1 288.322 2.580 20 10 CFCDMN Oc1cc2c(cc1CN(Cc1ccccn1)C1CC1)OCO2 ZINC000290477606 526335522 /nfs/dbraw/zinc/33/55/22/526335522.db2.gz NWJHWXAZTICXLO-UHFFFAOYSA-N 0 1 298.342 2.681 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000083552070 526363997 /nfs/dbraw/zinc/36/39/97/526363997.db2.gz OVUPTPCJBGWAQQ-JTQLQIEISA-N 0 1 255.745 2.562 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCSCC1 ZINC000272845547 526364026 /nfs/dbraw/zinc/36/40/26/526364026.db2.gz SAFNATORUHDFDO-UHFFFAOYSA-N 0 1 257.786 2.985 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCSCC1 ZINC000272845547 526364027 /nfs/dbraw/zinc/36/40/27/526364027.db2.gz SAFNATORUHDFDO-UHFFFAOYSA-N 0 1 257.786 2.985 20 10 CFCDMN O=c1[nH]ccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000276977168 526379857 /nfs/dbraw/zinc/37/98/57/526379857.db2.gz DTDAKYDTMXTYCB-UHFFFAOYSA-N 0 1 290.750 2.705 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCCCO ZINC000224951847 527535333 /nfs/dbraw/zinc/53/53/33/527535333.db2.gz UWSVKAKGDIDETJ-UHFFFAOYSA-N 0 1 257.761 2.688 20 10 CFCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552343 527635752 /nfs/dbraw/zinc/63/57/52/527635752.db2.gz WJNFITBUNPYHDV-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN CC(C)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736425749 574051108 /nfs/dbraw/zinc/05/11/08/574051108.db2.gz CAJCSLQGABBBIB-UHFFFAOYSA-N 0 1 285.771 2.978 20 10 CFCDMN CC[N@@H+](CC(=O)[O-])Cc1cc(C(C)C)c(C)cc1O ZINC000737074190 574108468 /nfs/dbraw/zinc/10/84/68/574108468.db2.gz CGYMOLWUKFFOFH-UHFFFAOYSA-N 0 1 265.353 2.731 20 10 CFCDMN CCN(CC)c1ccc(CNC(=O)C(F)(F)F)cc1F ZINC000731345423 574117750 /nfs/dbraw/zinc/11/77/50/574117750.db2.gz UEJVDBHVHNHZAQ-UHFFFAOYSA-N 0 1 292.276 2.850 20 10 CFCDMN CC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(=O)[O-] ZINC000756308923 574224078 /nfs/dbraw/zinc/22/40/78/574224078.db2.gz MESLPWZPXLSNFP-QMMMGPOBSA-N 0 1 289.734 2.775 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(F)cc(F)c1[O-] ZINC000756340057 574226701 /nfs/dbraw/zinc/22/67/01/574226701.db2.gz HRXZSVGNIVSKGP-JTQLQIEISA-N 0 1 286.366 2.909 20 10 CFCDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCOCC2)c1 ZINC000748073307 574227055 /nfs/dbraw/zinc/22/70/55/574227055.db2.gz XTQQKVDXYBRDAR-UHFFFAOYSA-N 0 1 279.380 2.618 20 10 CFCDMN CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756459688 574238935 /nfs/dbraw/zinc/23/89/35/574238935.db2.gz WSHGCTVQBBLOJN-JTQLQIEISA-N 0 1 284.787 2.565 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756773615 574261696 /nfs/dbraw/zinc/26/16/96/574261696.db2.gz AERCQBKBCMRWCO-NDMJEZRESA-N 0 1 296.798 2.611 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756773618 574261938 /nfs/dbraw/zinc/26/19/38/574261938.db2.gz AERCQBKBCMRWCO-UFGOTCBOSA-N 0 1 296.798 2.611 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000756820515 574265098 /nfs/dbraw/zinc/26/50/98/574265098.db2.gz XOQIEXHQQJWPLY-BDAKNGLRSA-N 0 1 257.761 2.856 20 10 CFCDMN COCC1([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756851861 574268678 /nfs/dbraw/zinc/26/86/78/574268678.db2.gz WDXRXILCHNVXGT-SECBINFHSA-N 0 1 255.745 2.875 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]1CCOC1 ZINC000750820377 574357110 /nfs/dbraw/zinc/35/71/10/574357110.db2.gz PRLRGKCLFRSVAD-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN O=C(c1cnc[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000743431148 574363932 /nfs/dbraw/zinc/36/39/32/574363932.db2.gz SBDDENZAPBIORZ-UHFFFAOYSA-N 0 1 297.314 2.551 20 10 CFCDMN COC(=O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000753588166 574405571 /nfs/dbraw/zinc/40/55/71/574405571.db2.gz GPKGRJZKRKGKHV-UHFFFAOYSA-N 0 1 297.782 2.869 20 10 CFCDMN O=C([O-])C[N@H+](CCC1CC1)Cc1cc(Cl)ccc1O ZINC000833248094 601007155 /nfs/dbraw/zinc/00/71/55/601007155.db2.gz KQGCRBJSLJIBJP-UHFFFAOYSA-N 0 1 283.755 2.732 20 10 CFCDMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1O ZINC000830811109 601633880 /nfs/dbraw/zinc/63/38/80/601633880.db2.gz MVNYWOIYNBFYDO-UHFFFAOYSA-N 0 1 289.306 2.862 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000235391102 601817077 /nfs/dbraw/zinc/81/70/77/601817077.db2.gz UJISWMXXHFLTFH-BXUZGUMPSA-N 0 1 285.343 2.698 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000832900223 601819848 /nfs/dbraw/zinc/81/98/48/601819848.db2.gz TYPBJZXIXOQMSL-SWLSCSKDSA-N 0 1 291.391 2.977 20 10 CFCDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000833486995 604578945 /nfs/dbraw/zinc/57/89/45/604578945.db2.gz YSUUOAIHIWJZIS-UHFFFAOYSA-N 0 1 296.386 2.824 20 10 CFCDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000833827840 605682784 /nfs/dbraw/zinc/68/27/84/605682784.db2.gz BCEGMNXVRYNVFQ-ZJUUUORDSA-N 0 1 298.770 2.524 20 10 CFCDMN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000160176648 617606218 /nfs/dbraw/zinc/60/62/18/617606218.db2.gz KJQAYKNKHQKSBS-JSGCOSHPSA-N 0 1 279.380 2.709 20 10 CFCDMN CN(Cc1cnn(C)c1C1CC1)Cc1ccccc1O ZINC000891713535 617724581 /nfs/dbraw/zinc/72/45/81/617724581.db2.gz ILOIXKUESHNZLG-UHFFFAOYSA-N 0 1 271.364 2.635 20 10 CFCDMN CCOc1ccc(CN2CCC[C@@H](F)C2)c(O)c1 ZINC000846119513 618093650 /nfs/dbraw/zinc/09/36/50/618093650.db2.gz GELMBJHBXIOMRF-GFCCVEGCSA-N 0 1 253.317 2.725 20 10 CFCDMN CCn1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cn1 ZINC000894029334 618281653 /nfs/dbraw/zinc/28/16/53/618281653.db2.gz YQNZJFJRGKASAH-UHFFFAOYSA-N 0 1 281.306 2.519 20 10 CFCDMN CC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)OC ZINC000895128066 618346710 /nfs/dbraw/zinc/34/67/10/618346710.db2.gz SEHYZOMZIYGDGJ-GFCCVEGCSA-N 0 1 287.359 2.834 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CO)CCCCC1 ZINC000053096151 618387913 /nfs/dbraw/zinc/38/79/13/618387913.db2.gz STGLZPMGMNMFFM-UHFFFAOYSA-N 0 1 269.772 2.830 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000840909562 618425218 /nfs/dbraw/zinc/42/52/18/618425218.db2.gz ITSWGAVMJRALOG-UHFFFAOYSA-N 0 1 297.782 2.693 20 10 CFCDMN CC1=NO[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000895304624 618520325 /nfs/dbraw/zinc/52/03/25/618520325.db2.gz KQJYTXXADQXOJI-AWEZNQCLSA-N 0 1 270.332 2.800 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCOC2)c(Cl)c1 ZINC000840919163 618937839 /nfs/dbraw/zinc/93/78/39/618937839.db2.gz WKPMRELPUZJIOR-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)c(Cl)c1 ZINC000840919163 618937840 /nfs/dbraw/zinc/93/78/40/618937840.db2.gz WKPMRELPUZJIOR-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)c(Cl)c1 ZINC000840919163 618937841 /nfs/dbraw/zinc/93/78/41/618937841.db2.gz WKPMRELPUZJIOR-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN COCC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000313297010 618980019 /nfs/dbraw/zinc/98/00/19/618980019.db2.gz ADRYISJIOJIGPL-OCCSQVGLSA-N 0 1 289.375 2.593 20 10 CFCDMN C[C@H](NCc1cc(Cl)cc(F)c1O)c1csnn1 ZINC000840970941 619185161 /nfs/dbraw/zinc/18/51/61/619185161.db2.gz YOJIAOIVEVCDLP-LURJTMIESA-N 0 1 287.747 2.887 20 10 CFCDMN CC[C@H](CSC)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894497194 619400432 /nfs/dbraw/zinc/40/04/32/619400432.db2.gz VMAPZIIQNJURTQ-GFCCVEGCSA-N 0 1 299.436 2.983 20 10 CFCDMN COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000894503145 619403642 /nfs/dbraw/zinc/40/36/42/619403642.db2.gz XVCCHYWVDZDXCP-JTQLQIEISA-N 0 1 277.320 2.853 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)[C@@H](C)O1 ZINC000894535491 619412658 /nfs/dbraw/zinc/41/26/58/619412658.db2.gz UNBXRLCDVFNWPF-KXUCPTDWSA-N 0 1 271.307 2.668 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@@H]2CCCCO2)cc1Cl ZINC000894795774 619468412 /nfs/dbraw/zinc/46/84/12/619468412.db2.gz WFTYBXONXOCMBL-OAHLLOKOSA-N 0 1 299.798 2.987 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CCCCO2)cc1Cl ZINC000894795773 619468448 /nfs/dbraw/zinc/46/84/48/619468448.db2.gz WFTYBXONXOCMBL-HNNXBMFYSA-N 0 1 299.798 2.987 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000894866712 619490628 /nfs/dbraw/zinc/49/06/28/619490628.db2.gz YWIOGTWUEHWNCW-JKSUJKDBSA-N 0 1 295.329 2.814 20 10 CFCDMN COc1cc(C)cc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000894911254 619511647 /nfs/dbraw/zinc/51/16/47/619511647.db2.gz FSYYHHNZCQEVPO-WCQYABFASA-N 0 1 287.363 2.701 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2CCc3ncncc3C2)cc1 ZINC000895723451 619591629 /nfs/dbraw/zinc/59/16/29/619591629.db2.gz GXLWMZYKFHWVBO-ARJAWSKDSA-N 0 1 294.402 2.614 20 10 CFCDMN Cc1cccc(O)c1CNCc1nc2c(s1)CCC2 ZINC000896287264 619710178 /nfs/dbraw/zinc/71/01/78/619710178.db2.gz DTZHPKWVJMYFFP-UHFFFAOYSA-N 0 1 274.389 2.936 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1Cl ZINC000896552825 619761390 /nfs/dbraw/zinc/76/13/90/619761390.db2.gz JOYUMLAHPBLGIN-GWCFXTLKSA-N 0 1 268.788 2.536 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCO[C@H](C)CC2)c(Cl)c1 ZINC000896577461 619765647 /nfs/dbraw/zinc/76/56/47/619765647.db2.gz LUBPOLNBRNQDOK-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCO[C@H](C)CC2)c(Cl)c1 ZINC000896577461 619765651 /nfs/dbraw/zinc/76/56/51/619765651.db2.gz LUBPOLNBRNQDOK-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN CCc1cccc(CN2CCn3cccc3C2)c1O ZINC000896761996 619809543 /nfs/dbraw/zinc/80/95/43/619809543.db2.gz YKKPVZPJDMUOBB-UHFFFAOYSA-N 0 1 256.349 2.772 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1[O-] ZINC000796392160 619880604 /nfs/dbraw/zinc/88/06/04/619880604.db2.gz AJTKPVUEFXGVBJ-SDBXPKJASA-N 0 1 283.368 2.575 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000897684284 620270965 /nfs/dbraw/zinc/27/09/65/620270965.db2.gz LZWOIOCDGIXUJL-FZKQIMNGSA-N 0 1 283.371 2.872 20 10 CFCDMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1OC ZINC000898071534 620333009 /nfs/dbraw/zinc/33/30/09/620333009.db2.gz NZDNJBSDJSFENU-TXEJJXNPSA-N 0 1 277.364 2.641 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)C2CC2)c(Cl)c1 ZINC000898197082 620352687 /nfs/dbraw/zinc/35/26/87/620352687.db2.gz CVJSJVRYSHJLDL-CYBMUJFWSA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000322501214 620383563 /nfs/dbraw/zinc/38/35/63/620383563.db2.gz GEBSIHLYOSOHIW-CYBMUJFWSA-N 0 1 257.761 2.950 20 10 CFCDMN C[C@H](NCc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902501040 621106050 /nfs/dbraw/zinc/10/60/50/621106050.db2.gz ZTZAUZONTPVPRH-ZETCQYMHSA-N 0 1 283.784 2.935 20 10 CFCDMN COc1cc(CN2CCOC[C@@H]2CC2CC2)c(O)cc1C ZINC000902540781 621114032 /nfs/dbraw/zinc/11/40/32/621114032.db2.gz ZDORLRLOPUPXOG-HNNXBMFYSA-N 0 1 291.391 2.710 20 10 CFCDMN CC(C)[C@H](N[C@H](C)c1cc(F)ccc1O)c1nncn1C ZINC000903066749 621239359 /nfs/dbraw/zinc/23/93/59/621239359.db2.gz WVDLMNOUURAJNI-YGRLFVJLSA-N 0 1 292.358 2.708 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1[O-] ZINC000903288016 621319097 /nfs/dbraw/zinc/31/90/97/621319097.db2.gz VGHVJEJXBZNORE-LXWXXRIVSA-N 0 1 279.767 2.872 20 10 CFCDMN C[C@H]1C[C@@H](NCc2cn(C)cn2)c2c1c(F)ccc2O ZINC000903350595 621342860 /nfs/dbraw/zinc/34/28/60/621342860.db2.gz CRNSDXFAWRYCAM-JOYOIKCWSA-N 0 1 275.327 2.603 20 10 CFCDMN CN(Cc1ccccc1O)C(=O)c1c(O)cccc1F ZINC000184313071 625589877 /nfs/dbraw/zinc/58/98/77/625589877.db2.gz LQKQUMNMTHLJCR-UHFFFAOYSA-N 0 1 275.279 2.509 20 10 CFCDMN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(F)ccc1[O-] ZINC000230668314 623289749 /nfs/dbraw/zinc/28/97/49/623289749.db2.gz ZEIAHDDMURJQGW-LLVKDONJSA-N 0 1 267.344 2.999 20 10 CFCDMN CCC[N@@H+](Cc1c(C)nnn1CC)Cc1ccccc1O ZINC000823424607 623314773 /nfs/dbraw/zinc/31/47/73/623314773.db2.gz XFNATPBMYVFING-UHFFFAOYSA-N 0 1 288.395 2.724 20 10 CFCDMN CCCN(Cc1c(C)nnn1CC)Cc1ccccc1O ZINC000823424607 623314778 /nfs/dbraw/zinc/31/47/78/623314778.db2.gz XFNATPBMYVFING-UHFFFAOYSA-N 0 1 288.395 2.724 20 10 CFCDMN Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CC=CC2)C1 ZINC000172932804 623322429 /nfs/dbraw/zinc/32/24/29/623322429.db2.gz MSDYNJIYEDGRRV-MRXNPFEDSA-N 0 1 294.398 2.992 20 10 CFCDMN CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000231390144 623344430 /nfs/dbraw/zinc/34/44/30/623344430.db2.gz LHDPJRKOOIAKBX-LLVKDONJSA-N 0 1 271.788 2.934 20 10 CFCDMN Cc1cc(Cl)cc(CN(C(C)C)C2COC2)c1O ZINC000824471794 623511674 /nfs/dbraw/zinc/51/16/74/623511674.db2.gz HPDDSQANRIEACF-UHFFFAOYSA-N 0 1 269.772 2.963 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1Cl ZINC000824632700 623535094 /nfs/dbraw/zinc/53/50/94/623535094.db2.gz QORACMCOVIIGGG-LBPRGKRZSA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1Cl ZINC000824632700 623535096 /nfs/dbraw/zinc/53/50/96/623535096.db2.gz QORACMCOVIIGGG-LBPRGKRZSA-N 0 1 296.798 2.584 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@](O)(C(F)F)C2)ccc2ccccc12 ZINC000824726456 623553034 /nfs/dbraw/zinc/55/30/34/623553034.db2.gz MRJGZDBUKKXSGL-MRXNPFEDSA-N 0 1 293.313 2.747 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc2ccccc12 ZINC000824726456 623553040 /nfs/dbraw/zinc/55/30/40/623553040.db2.gz MRJGZDBUKKXSGL-MRXNPFEDSA-N 0 1 293.313 2.747 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)cc1Cl ZINC000824836572 623573416 /nfs/dbraw/zinc/57/34/16/623573416.db2.gz PHRMVKZTNXEMKF-JTQLQIEISA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)cc1Cl ZINC000824836572 623573420 /nfs/dbraw/zinc/57/34/20/623573420.db2.gz PHRMVKZTNXEMKF-JTQLQIEISA-N 0 1 269.772 2.822 20 10 CFCDMN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000824845962 623576372 /nfs/dbraw/zinc/57/63/72/623576372.db2.gz POVDNQYNKNKGBI-ZBFHGGJFSA-N 0 1 283.387 2.910 20 10 CFCDMN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000151874277 623584877 /nfs/dbraw/zinc/58/48/77/623584877.db2.gz MBEUTHWGZAQZIW-UHFFFAOYSA-N 0 1 295.335 2.949 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1cc(C)ccc1O ZINC000825005028 623603575 /nfs/dbraw/zinc/60/35/75/623603575.db2.gz BPKBWAOGIJKEEW-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN Cc1ccc(O)c(CN[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017176 623608160 /nfs/dbraw/zinc/60/81/60/623608160.db2.gz NKOZSKOMAYEBTO-YPMHNXCESA-N 0 1 257.337 2.693 20 10 CFCDMN CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000825090867 623627452 /nfs/dbraw/zinc/62/74/52/623627452.db2.gz LPKBAXINMJHMLC-AWEZNQCLSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000825090867 623627457 /nfs/dbraw/zinc/62/74/57/623627457.db2.gz LPKBAXINMJHMLC-AWEZNQCLSA-N 0 1 293.407 2.774 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCC(=O)NC2CC2)cc1Cl ZINC000825114724 623632700 /nfs/dbraw/zinc/63/27/00/623632700.db2.gz VYCFVDVTVAZPBE-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cc2cnccn2)cc1Cl ZINC000825150210 623640540 /nfs/dbraw/zinc/64/05/40/623640540.db2.gz DGOCNIBYAQVURT-NSHDSACASA-N 0 1 291.782 2.865 20 10 CFCDMN CO[C@H](C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825186081 623646271 /nfs/dbraw/zinc/64/62/71/623646271.db2.gz VUNYLSGNYQMFAY-SNVBAGLBSA-N 0 1 257.761 2.869 20 10 CFCDMN CCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825278413 623663350 /nfs/dbraw/zinc/66/33/50/623663350.db2.gz LLIOKVDNCXVFSX-AWEZNQCLSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC[C@H]2CCCO2)cc1Cl ZINC000825288623 623664719 /nfs/dbraw/zinc/66/47/19/623664719.db2.gz SZZWYBULFLVUMR-CYBMUJFWSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000825297499 623665411 /nfs/dbraw/zinc/66/54/11/623665411.db2.gz GPGQBSGJPBSOJJ-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000825297501 623665888 /nfs/dbraw/zinc/66/58/88/623665888.db2.gz GPGQBSGJPBSOJJ-SMDDNHRTSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)C[C@H](C)O)cc1Cl ZINC000825303992 623667019 /nfs/dbraw/zinc/66/70/19/623667019.db2.gz PEJTWQGEIDJDQM-KOLCDFICSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CCO)C(C)C)cc1Cl ZINC000825308508 623667899 /nfs/dbraw/zinc/66/78/99/623667899.db2.gz ALHHLDHGQHHOHE-ZDUSSCGKSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000825353050 623679157 /nfs/dbraw/zinc/67/91/57/623679157.db2.gz KVXKEYYYJWJFCH-NHYWBVRUSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@]2(C)CCOC2)cc1Cl ZINC000825384509 623684126 /nfs/dbraw/zinc/68/41/26/623684126.db2.gz DHMVBHQZEGQKDH-CYBMUJFWSA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)cc1Cl ZINC000825395996 623685818 /nfs/dbraw/zinc/68/58/18/623685818.db2.gz NWUNUZIZDYQPCJ-SECBINFHSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1Cl ZINC000825568001 623717458 /nfs/dbraw/zinc/71/74/58/623717458.db2.gz QFLSVIBWXZRKDI-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]2(C)CO)cc1Cl ZINC000825628621 623726418 /nfs/dbraw/zinc/72/64/18/623726418.db2.gz CDYCCZTVVHVYPI-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]2(C)CO)cc1Cl ZINC000825628621 623726424 /nfs/dbraw/zinc/72/64/24/623726424.db2.gz CDYCCZTVVHVYPI-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000152533688 623726908 /nfs/dbraw/zinc/72/69/08/623726908.db2.gz COCQVJFHILEDLI-CYBMUJFWSA-N 0 1 283.780 2.930 20 10 CFCDMN CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826017202 623782872 /nfs/dbraw/zinc/78/28/72/623782872.db2.gz PMSCLYFRATXETP-CQSZACIVSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC(C)(C)CO)cc1Cl ZINC000826043407 623786932 /nfs/dbraw/zinc/78/69/32/623786932.db2.gz IYKODXHBMXTLFC-UHFFFAOYSA-N 0 1 271.788 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC(C)(C)CO)cc1Cl ZINC000826043407 623786935 /nfs/dbraw/zinc/78/69/35/623786935.db2.gz IYKODXHBMXTLFC-UHFFFAOYSA-N 0 1 271.788 2.804 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(CO)CC2)cc1Cl ZINC000826084345 623792051 /nfs/dbraw/zinc/79/20/51/623792051.db2.gz ZBBVULTVJSEMKX-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1Cl ZINC000826123054 623795571 /nfs/dbraw/zinc/79/55/71/623795571.db2.gz DYDSKQPCKPDEAN-SKDRFNHKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1Cl ZINC000826123054 623795573 /nfs/dbraw/zinc/79/55/73/623795573.db2.gz DYDSKQPCKPDEAN-SKDRFNHKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1Cl ZINC000826123054 623795575 /nfs/dbraw/zinc/79/55/75/623795575.db2.gz DYDSKQPCKPDEAN-SKDRFNHKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@@H](C)C2)c(Cl)c1 ZINC000842775401 623804599 /nfs/dbraw/zinc/80/45/99/623804599.db2.gz NGJIMUKIWYUTAB-VHSXEESVSA-N 0 1 255.745 2.621 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CCC2)cc1Cl ZINC000826868335 623899158 /nfs/dbraw/zinc/89/91/58/623899158.db2.gz QYFUKMLGQFZLRN-CYBMUJFWSA-N 0 1 269.772 2.605 20 10 CFCDMN COc1cccc(OC)c1CNCc1cc(F)ccc1O ZINC000826921935 623910077 /nfs/dbraw/zinc/91/00/77/623910077.db2.gz VWLHEZCUDVYFCA-UHFFFAOYSA-N 0 1 291.322 2.838 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151537 623953784 /nfs/dbraw/zinc/95/37/84/623953784.db2.gz DQARAABMRVZWFR-OAHLLOKOSA-N 0 1 281.783 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151537 623953786 /nfs/dbraw/zinc/95/37/86/623953786.db2.gz DQARAABMRVZWFR-OAHLLOKOSA-N 0 1 281.783 2.783 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151534 623953918 /nfs/dbraw/zinc/95/39/18/623953918.db2.gz DPBJSXLMRQLBPV-HNNXBMFYSA-N 0 1 281.783 2.783 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151534 623953920 /nfs/dbraw/zinc/95/39/20/623953920.db2.gz DPBJSXLMRQLBPV-HNNXBMFYSA-N 0 1 281.783 2.783 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1Cl ZINC000827602754 624042783 /nfs/dbraw/zinc/04/27/83/624042783.db2.gz UOZQHGDCYUOFQQ-DGCLKSJQSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1Cl ZINC000827602754 624042789 /nfs/dbraw/zinc/04/27/89/624042789.db2.gz UOZQHGDCYUOFQQ-DGCLKSJQSA-N 0 1 281.783 2.822 20 10 CFCDMN C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1O ZINC000827960682 624140721 /nfs/dbraw/zinc/14/07/21/624140721.db2.gz VLCWGXJQZLEUQF-SWLSCSKDSA-N 0 1 288.391 2.586 20 10 CFCDMN CCC[N@H+](CCCC(=O)OCC)Cc1ccccc1[O-] ZINC000068973551 625040858 /nfs/dbraw/zinc/04/08/58/625040858.db2.gz SLJBRDUGAJXFNK-UHFFFAOYSA-N 0 1 279.380 2.948 20 10 CFCDMN CCC[N@@H+](CCCC(=O)OCC)Cc1ccccc1[O-] ZINC000068973551 625040868 /nfs/dbraw/zinc/04/08/68/625040868.db2.gz SLJBRDUGAJXFNK-UHFFFAOYSA-N 0 1 279.380 2.948 20 10 CFCDMN C[C@@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)c2nccn21 ZINC000834896097 625912394 /nfs/dbraw/zinc/91/23/94/625912394.db2.gz UJVLIWDTHCLRLF-WXHSDQCUSA-N 0 1 269.348 2.872 20 10 CFCDMN c1nc2n(c1CNCc1ccc3c(c1)CCCO3)CCCC2 ZINC000922115293 626210783 /nfs/dbraw/zinc/21/07/83/626210783.db2.gz JSRGHWALKXEOEE-UHFFFAOYSA-N 0 1 297.402 2.834 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922723693 626353181 /nfs/dbraw/zinc/35/31/81/626353181.db2.gz ONSZKFZXCHHMMF-SUHUHFCYSA-N 0 1 279.767 2.726 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)COC ZINC000187087300 626452017 /nfs/dbraw/zinc/45/20/17/626452017.db2.gz KUXPHXVVPFBPIE-CYBMUJFWSA-N 0 1 251.370 2.887 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)COC ZINC000187087300 626452019 /nfs/dbraw/zinc/45/20/19/626452019.db2.gz KUXPHXVVPFBPIE-CYBMUJFWSA-N 0 1 251.370 2.887 20 10 CFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC000839131283 626527767 /nfs/dbraw/zinc/52/77/67/626527767.db2.gz IMIOALAFBRJEMB-TXEJJXNPSA-N 0 1 265.740 2.742 20 10 CFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC000839131283 626527768 /nfs/dbraw/zinc/52/77/68/626527768.db2.gz IMIOALAFBRJEMB-TXEJJXNPSA-N 0 1 265.740 2.742 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839141736 626528600 /nfs/dbraw/zinc/52/86/00/626528600.db2.gz XTCRIHKFLKPXMW-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191588 626530831 /nfs/dbraw/zinc/53/08/31/626530831.db2.gz ICTHCFOPJPSXMI-YUMQZZPRSA-N 0 1 273.760 2.874 20 10 CFCDMN C[C@H](NCc1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000839193145 626530956 /nfs/dbraw/zinc/53/09/56/626530956.db2.gz YVGYKUUUVOGNHF-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000760883132 626781008 /nfs/dbraw/zinc/78/10/08/626781008.db2.gz AFUMATKIUYWZQU-VZJVUDMVSA-N 0 1 299.798 2.890 20 10 CFCDMN O=C(NCCCF)NCc1cc(Cl)cc(Cl)c1O ZINC000805219093 626795068 /nfs/dbraw/zinc/79/50/68/626795068.db2.gz VLKGBJBIGAJMQQ-UHFFFAOYSA-N 0 1 295.141 2.858 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000765790980 627157758 /nfs/dbraw/zinc/15/77/58/627157758.db2.gz YFZZRDITWGDQMF-GXSJLCMTSA-N 0 1 297.704 2.837 20 10 CFCDMN CCN(Cc1cnc(N)s1)Cc1ccc(N(C)C)cc1 ZINC000768134003 627319613 /nfs/dbraw/zinc/31/96/13/627319613.db2.gz NUNZBFGENDWIAD-UHFFFAOYSA-N 0 1 290.436 2.813 20 10 CFCDMN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448473 627344323 /nfs/dbraw/zinc/34/43/23/627344323.db2.gz VGDVNYIBAZUIDS-HSMVNMDESA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448473 627344328 /nfs/dbraw/zinc/34/43/28/627344328.db2.gz VGDVNYIBAZUIDS-HSMVNMDESA-N 0 1 291.391 2.829 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)OC(C)(C)C2)c(O)c1 ZINC000769100660 627402888 /nfs/dbraw/zinc/40/28/88/627402888.db2.gz MOWCXXVRWOZAGV-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCS[C@H](C)C2)c(O)c1 ZINC000769320399 627423728 /nfs/dbraw/zinc/42/37/28/627423728.db2.gz NCDWWMUWZYSBMW-LLVKDONJSA-N 0 1 267.394 2.728 20 10 CFCDMN C[C@H]1CSCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769427013 627438004 /nfs/dbraw/zinc/43/80/04/627438004.db2.gz FIJYYXGGPQGKQN-NSHDSACASA-N 0 1 268.401 2.829 20 10 CFCDMN NC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000769469155 627443975 /nfs/dbraw/zinc/44/39/75/627443975.db2.gz SZWUKMFSLYPSIZ-UHFFFAOYSA-N 0 1 296.798 2.523 20 10 CFCDMN COc1cccc(O)c1CN(C)Cc1cccc(O)c1 ZINC000771935743 627650628 /nfs/dbraw/zinc/65/06/28/627650628.db2.gz UMQCJCJUTOXITM-UHFFFAOYSA-N 0 1 273.332 2.738 20 10 CFCDMN CC[C@@H](NCc1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000773128828 627786293 /nfs/dbraw/zinc/78/62/93/627786293.db2.gz DRTKAPYOUSGIPQ-MRXNPFEDSA-N 0 1 272.396 2.727 20 10 CFCDMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000774831623 627968999 /nfs/dbraw/zinc/96/89/99/627968999.db2.gz IEWQAFJQVFUDPK-IINYFYTJSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@@H](N[C@@H](C)c1nncn1C)c1cc(Cl)ccc1O ZINC000775498326 628032563 /nfs/dbraw/zinc/03/25/63/628032563.db2.gz JAUNTBRPFLHDNM-JOYOIKCWSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775655217 628050070 /nfs/dbraw/zinc/05/00/70/628050070.db2.gz BGHVLRAOEZXTDV-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000775679361 628054113 /nfs/dbraw/zinc/05/41/13/628054113.db2.gz YKHDPFQWGIJRRR-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775686533 628055348 /nfs/dbraw/zinc/05/53/48/628055348.db2.gz JBOSFTDGSPRBTO-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCC[C@@H]1O ZINC000775735875 628061023 /nfs/dbraw/zinc/06/10/23/628061023.db2.gz DQLDYFMAACAHQZ-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(CO)cc1 ZINC000776258379 628123242 /nfs/dbraw/zinc/12/32/42/628123242.db2.gz WXBCUKICRSSNAK-UHFFFAOYSA-N 0 1 291.778 2.870 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1O ZINC000776748018 628174115 /nfs/dbraw/zinc/17/41/15/628174115.db2.gz ROHYKHNCVSVIMB-UHFFFAOYSA-N 0 1 298.751 2.550 20 10 CFCDMN COc1ccc(F)cc1CNCc1c(O)cccc1OC ZINC000778187124 628284844 /nfs/dbraw/zinc/28/48/44/628284844.db2.gz WHXIFBIEZBFOAD-UHFFFAOYSA-N 0 1 291.322 2.838 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1[O-] ZINC000779061065 628349129 /nfs/dbraw/zinc/34/91/29/628349129.db2.gz IYDONVZDGZLAIS-PWSUYJOCSA-N 0 1 291.782 2.908 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000779090656 628351825 /nfs/dbraw/zinc/35/18/25/628351825.db2.gz KUMYFHNTZJUOJK-AWEZNQCLSA-N 0 1 267.344 2.826 20 10 CFCDMN CCOc1cccc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000779147707 628355459 /nfs/dbraw/zinc/35/54/59/628355459.db2.gz BYYHOHMURYFMJJ-YPMHNXCESA-N 0 1 267.344 2.971 20 10 CFCDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000779165242 628357928 /nfs/dbraw/zinc/35/79/28/628357928.db2.gz FKXJMJOGVIKYQG-LBPRGKRZSA-N 0 1 287.762 2.920 20 10 CFCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)C(C)(C)C ZINC000780893041 628503154 /nfs/dbraw/zinc/50/31/54/628503154.db2.gz LXVWYZDOIAYRDD-LBPRGKRZSA-N 0 1 285.771 2.723 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000840826146 628700397 /nfs/dbraw/zinc/70/03/97/628700397.db2.gz QWFQKLPEBOJMDR-GWCFXTLKSA-N 0 1 296.798 2.613 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)[C@H](C)O1 ZINC000783737920 628739669 /nfs/dbraw/zinc/73/96/69/628739669.db2.gz PWJVMAOFHKICFU-MCIONIFRSA-N 0 1 262.397 2.750 20 10 CFCDMN COc1ccnc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000784267392 628796174 /nfs/dbraw/zinc/79/61/74/628796174.db2.gz ZYMMQSXEGFTTAF-LLVKDONJSA-N 0 1 288.347 2.655 20 10 CFCDMN CN(C)c1ccc(CN2CC3(C2)CC(F)(F)C3)cc1 ZINC000785762972 628912106 /nfs/dbraw/zinc/91/21/06/628912106.db2.gz BEOHHOHUCWJSPY-UHFFFAOYSA-N 0 1 266.335 2.984 20 10 CFCDMN CCOc1ccc(CN2CCO[C@@](C)(CC)C2)c(O)c1 ZINC000785984648 628928617 /nfs/dbraw/zinc/92/86/17/628928617.db2.gz QUHKBECLDXHOBN-INIZCTEOSA-N 0 1 279.380 2.792 20 10 CFCDMN Cc1nc(NCc2cc(Cl)cc(Cl)c2O)n[nH]1 ZINC000788451480 629068818 /nfs/dbraw/zinc/06/88/18/629068818.db2.gz HXHRLQRISCAOAO-UHFFFAOYSA-N 0 1 273.123 2.738 20 10 CFCDMN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000788627613 629088124 /nfs/dbraw/zinc/08/81/24/629088124.db2.gz YZCVLSZQUBUHHV-VZJVUDMVSA-N 0 1 299.798 2.626 20 10 CFCDMN C[N@@H+](CCCCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000789763136 629186374 /nfs/dbraw/zinc/18/63/74/629186374.db2.gz FCYRBPMNBWDUFV-UHFFFAOYSA-N 0 1 275.751 2.779 20 10 CFCDMN CCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789938278 629198295 /nfs/dbraw/zinc/19/82/95/629198295.db2.gz AAJWYBWXKUWING-UHFFFAOYSA-N 0 1 291.278 2.888 20 10 CFCDMN Cc1c(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cnn1C ZINC000790938244 629272874 /nfs/dbraw/zinc/27/28/74/629272874.db2.gz QWGVUOGGRKVWTI-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN Cc1cc(CNC/C=C\c2ccc(N(C)C)cc2)ncn1 ZINC000835040743 629335111 /nfs/dbraw/zinc/33/51/11/629335111.db2.gz GNOAZUIUDFNYPO-PLNGDYQASA-N 0 1 282.391 2.654 20 10 CFCDMN CC[N@@H+](CCOC)Cc1c([O-])ccc(Cl)c1F ZINC000792162982 629404141 /nfs/dbraw/zinc/40/41/41/629404141.db2.gz UJLXZDKKPPEWNI-UHFFFAOYSA-N 0 1 261.724 2.653 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c(O)c1 ZINC000793214392 629506122 /nfs/dbraw/zinc/50/61/22/629506122.db2.gz OBKNIZOJCZRYSD-SJCJKPOMSA-N 0 1 291.391 2.790 20 10 CFCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220225 629507460 /nfs/dbraw/zinc/50/74/60/629507460.db2.gz LZSNYICUXLSQQU-OCAPTIKFSA-N 0 1 270.716 2.937 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793321166 629526403 /nfs/dbraw/zinc/52/64/03/629526403.db2.gz HFUNFQIUEISKBU-LLVKDONJSA-N 0 1 269.772 2.686 20 10 CFCDMN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796497117 629926054 /nfs/dbraw/zinc/92/60/54/629926054.db2.gz FUXDLZKDOCEOAZ-QWRGUYRKSA-N 0 1 269.772 2.808 20 10 CFCDMN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796497114 629926132 /nfs/dbraw/zinc/92/61/32/629926132.db2.gz FUXDLZKDOCEOAZ-GHMZBOCLSA-N 0 1 269.772 2.808 20 10 CFCDMN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000840826467 630093176 /nfs/dbraw/zinc/09/31/76/630093176.db2.gz MGQAOCFXEBYNGJ-KNXALSJPSA-N 0 1 287.359 2.610 20 10 CFCDMN CCCCN(Cc1n[nH]c(CC)n1)Cc1ccccc1O ZINC000801596128 630461462 /nfs/dbraw/zinc/46/14/62/630461462.db2.gz PPBRMXKIBWYSRY-UHFFFAOYSA-N 0 1 288.395 2.875 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](C(F)F)C1 ZINC000802652492 630534991 /nfs/dbraw/zinc/53/49/91/630534991.db2.gz CVXCXOUFGFTPGB-JTQLQIEISA-N 0 1 295.688 2.651 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCO[C@@H](C(F)F)C1 ZINC000802653764 630535888 /nfs/dbraw/zinc/53/58/88/630535888.db2.gz SHFYUSZGAMDPLO-SNVBAGLBSA-N 0 1 277.698 2.512 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802658928 630536350 /nfs/dbraw/zinc/53/63/50/630536350.db2.gz UKGOLBUWVXBYSG-ZETCQYMHSA-N 0 1 295.688 2.998 20 10 CFCDMN CN(C)c1ccc(CN2CC[C@H](OC(F)F)C2)cc1F ZINC000802658488 630536392 /nfs/dbraw/zinc/53/63/92/630536392.db2.gz FGFOAGBKASQSNO-NSHDSACASA-N 0 1 288.313 2.705 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](C(F)F)C1 ZINC000802655125 630536934 /nfs/dbraw/zinc/53/69/34/630536934.db2.gz PUBAURRIYWTSOD-SNVBAGLBSA-N 0 1 295.688 2.651 20 10 CFCDMN COC[C@H]1CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000840082560 630856954 /nfs/dbraw/zinc/85/69/54/630856954.db2.gz GMHIJORLFYWXNQ-CYBMUJFWSA-N 0 1 279.380 2.616 20 10 CFCDMN CCCOCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839483 630912847 /nfs/dbraw/zinc/91/28/47/630912847.db2.gz NQGGEHRKYGFDCX-UHFFFAOYSA-N 0 1 292.162 2.742 20 10 CFCDMN CSC[C@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840897824 631255589 /nfs/dbraw/zinc/25/55/89/631255589.db2.gz BOLAUZUWDGOUCN-CYBMUJFWSA-N 0 1 289.828 2.558 20 10 CFCDMN CCC[C@@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840897309 631255915 /nfs/dbraw/zinc/25/59/15/631255915.db2.gz QWNWTVVOMUGLQE-CQSZACIVSA-N 0 1 271.788 2.995 20 10 CFCDMN CC[C@@H](CCO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840904036 631256901 /nfs/dbraw/zinc/25/69/01/631256901.db2.gz GNYBJNBDSQZEIK-NSHDSACASA-N 0 1 271.788 2.852 20 10 CFCDMN COC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCOCC1 ZINC000840906936 631258575 /nfs/dbraw/zinc/25/85/75/631258575.db2.gz KOQWNWHWVAGVSH-UHFFFAOYSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CCCO)C2CC2)c(Cl)c1 ZINC000840915127 631262336 /nfs/dbraw/zinc/26/23/36/631262336.db2.gz KLMHDBOODYCQSB-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CCCO)C2CC2)c(Cl)c1 ZINC000840915127 631262340 /nfs/dbraw/zinc/26/23/40/631262340.db2.gz KLMHDBOODYCQSB-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000840938310 631270452 /nfs/dbraw/zinc/27/04/52/631270452.db2.gz MWATUOJQILEINS-GWCFXTLKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000840938310 631270462 /nfs/dbraw/zinc/27/04/62/631270462.db2.gz MWATUOJQILEINS-GWCFXTLKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)O)c(Cl)c1 ZINC000840938796 631271149 /nfs/dbraw/zinc/27/11/49/631271149.db2.gz RMFUFULSRRDLLR-UHFFFAOYSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cccnc1F ZINC000840941188 631272861 /nfs/dbraw/zinc/27/28/61/631272861.db2.gz QHMCBJGMVKZPCB-UHFFFAOYSA-N 0 1 273.355 2.885 20 10 CFCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840948690 631277309 /nfs/dbraw/zinc/27/73/09/631277309.db2.gz XYRWYLBOFGDTJN-PHIMTYICSA-N 0 1 269.772 2.963 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840948690 631277321 /nfs/dbraw/zinc/27/73/21/631277321.db2.gz XYRWYLBOFGDTJN-PHIMTYICSA-N 0 1 269.772 2.963 20 10 CFCDMN CCCC[N@H+](CCCO)Cc1ccc(OCC)cc1[O-] ZINC000809751032 631279509 /nfs/dbraw/zinc/27/95/09/631279509.db2.gz ACCWVUBULLNYDW-UHFFFAOYSA-N 0 1 281.396 2.775 20 10 CFCDMN CCCC[N@@H+](CCCO)Cc1ccc(OCC)cc1[O-] ZINC000809751032 631279511 /nfs/dbraw/zinc/27/95/11/631279511.db2.gz ACCWVUBULLNYDW-UHFFFAOYSA-N 0 1 281.396 2.775 20 10 CFCDMN CCn1ccc(CNCc2cc(Cl)cc(C)c2O)n1 ZINC000840955107 631283269 /nfs/dbraw/zinc/28/32/69/631283269.db2.gz NADOFZWLFVACPZ-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H](O)C(C)C ZINC000840967464 631288163 /nfs/dbraw/zinc/28/81/63/631288163.db2.gz NPZKQZVKCURSAM-TZMCWYRMSA-N 0 1 271.788 2.931 20 10 CFCDMN C[C@H](NCc1cc(Cl)c(F)cc1O)c1csnn1 ZINC000840971003 631289736 /nfs/dbraw/zinc/28/97/36/631289736.db2.gz ZEDZGODULJVQEN-LURJTMIESA-N 0 1 287.747 2.887 20 10 CFCDMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC(=O)N1 ZINC000840975282 631290920 /nfs/dbraw/zinc/29/09/20/631290920.db2.gz FFWMBNWITSHZCQ-GFCCVEGCSA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cocn1 ZINC000840975274 631291703 /nfs/dbraw/zinc/29/17/03/631291703.db2.gz FCQOYXYDYSPQQG-CYBMUJFWSA-N 0 1 273.380 2.770 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000840977021 631292494 /nfs/dbraw/zinc/29/24/94/631292494.db2.gz ZZFQBEXISJNYBD-OAHLLOKOSA-N 0 1 297.782 2.821 20 10 CFCDMN O=C([O-])[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840995479 631296632 /nfs/dbraw/zinc/29/66/32/631296632.db2.gz PLPDQHXQKJFWAT-OAHLLOKOSA-N 0 1 297.354 2.966 20 10 CFCDMN COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC000042370418 649998741 /nfs/dbraw/zinc/99/87/41/649998741.db2.gz GAYXBHAWIJRNKA-UHFFFAOYSA-N 0 1 297.370 2.838 20 10 CFCDMN COCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC000042370418 649998742 /nfs/dbraw/zinc/99/87/42/649998742.db2.gz GAYXBHAWIJRNKA-UHFFFAOYSA-N 0 1 297.370 2.838 20 10 CFCDMN CCC[N@H+](CC)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000810180647 631340471 /nfs/dbraw/zinc/34/04/71/631340471.db2.gz FMEYSRLDTQAYBM-LBPRGKRZSA-N 0 1 295.383 2.510 20 10 CFCDMN CCC[N@@H+](CC)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000810180647 631340474 /nfs/dbraw/zinc/34/04/74/631340474.db2.gz FMEYSRLDTQAYBM-LBPRGKRZSA-N 0 1 295.383 2.510 20 10 CFCDMN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000841748327 631464115 /nfs/dbraw/zinc/46/41/15/631464115.db2.gz KRTWZLKGLPASBT-GXFFZTMASA-N 0 1 296.798 2.706 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841753054 631466998 /nfs/dbraw/zinc/46/69/98/631466998.db2.gz XMWSXUCOLFVYIV-JOYOIKCWSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841757204 631467668 /nfs/dbraw/zinc/46/76/68/631467668.db2.gz BWBCRJWCFSOGJN-OTYXRUKQSA-N 0 1 269.772 2.857 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H](C)O ZINC000841757351 631467794 /nfs/dbraw/zinc/46/77/94/631467794.db2.gz NMFTVIZOYXPLOY-SBMIAAHKSA-N 0 1 257.761 2.856 20 10 CFCDMN Cc1nccc(NCCc2ccc(O)c(O)c2)c1Cl ZINC000811811093 631625792 /nfs/dbraw/zinc/62/57/92/631625792.db2.gz LHNOETFKIYNNFD-UHFFFAOYSA-N 0 1 278.739 2.531 20 10 CFCDMN Oc1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)[C@H](O)CO2 ZINC000842618790 631682405 /nfs/dbraw/zinc/68/24/05/631682405.db2.gz QQAPIRJGFOOXDC-HZUKXOBISA-N 0 1 289.375 2.583 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780616 631773619 /nfs/dbraw/zinc/77/36/19/631773619.db2.gz KPESPKLYUVJNAN-GFCCVEGCSA-N 0 1 295.745 2.828 20 10 CFCDMN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842929740 631784020 /nfs/dbraw/zinc/78/40/20/631784020.db2.gz SWMJXAGPAORZRL-WCABBAIRSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@H]1CC[C@H](C)N1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843162337 631872070 /nfs/dbraw/zinc/87/20/70/631872070.db2.gz XAXYRBDRBDCUCB-RYUDHWBXSA-N 0 1 286.379 2.615 20 10 CFCDMN COC1(c2ccccc2)CN(Cc2ccccc2O)C1 ZINC000813330965 631903930 /nfs/dbraw/zinc/90/39/30/631903930.db2.gz KIUMOEFYJIDOEH-UHFFFAOYSA-N 0 1 269.344 2.750 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419669 631950296 /nfs/dbraw/zinc/95/02/96/631950296.db2.gz ONVJDYNUFZZUKX-CYBMUJFWSA-N 0 1 272.323 2.916 20 10 CFCDMN CCOc1cccc(CN2CCOC[C@H]2C2CCC2)c1O ZINC000843429500 631956634 /nfs/dbraw/zinc/95/66/34/631956634.db2.gz XIJJZYIMHOFNRZ-HNNXBMFYSA-N 0 1 291.391 2.792 20 10 CFCDMN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844376488 632185091 /nfs/dbraw/zinc/18/50/91/632185091.db2.gz CSSHKPHHNVMGIA-BONVTDFDSA-N 0 1 297.370 2.621 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390326 632191378 /nfs/dbraw/zinc/19/13/78/632191378.db2.gz GOUCAYWXJISVRZ-CJNGLKHVSA-N 0 1 262.397 2.752 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cnn(C)c1Cl ZINC000815124471 632208379 /nfs/dbraw/zinc/20/83/79/632208379.db2.gz ACSYCYZJLMTSRU-UHFFFAOYSA-N 0 1 292.814 2.738 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCOCC2)ccc2ccccc21 ZINC000816493016 632470204 /nfs/dbraw/zinc/47/02/04/632470204.db2.gz LUXHKVLSWUIGPN-UHFFFAOYSA-N 0 1 257.333 2.768 20 10 CFCDMN [O-]c1c(C[N@H+]2CCCOCC2)ccc2ccccc21 ZINC000816493016 632470205 /nfs/dbraw/zinc/47/02/05/632470205.db2.gz LUXHKVLSWUIGPN-UHFFFAOYSA-N 0 1 257.333 2.768 20 10 CFCDMN [O-]c1c(C[N@H+](CCO)CC2CC2)ccc2ccccc21 ZINC000816496208 632471169 /nfs/dbraw/zinc/47/11/69/632471169.db2.gz AGAMXBPZWBGIGQ-UHFFFAOYSA-N 0 1 271.360 2.750 20 10 CFCDMN [O-]c1c(C[N@@H+](CCO)CC2CC2)ccc2ccccc21 ZINC000816496208 632471171 /nfs/dbraw/zinc/47/11/71/632471171.db2.gz AGAMXBPZWBGIGQ-UHFFFAOYSA-N 0 1 271.360 2.750 20 10 CFCDMN C[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])C(C)(C)C1 ZINC000816513626 632475367 /nfs/dbraw/zinc/47/53/67/632475367.db2.gz WYQIOQIGCBDURM-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN Cn1nccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535415 632479168 /nfs/dbraw/zinc/47/91/68/632479168.db2.gz NYBYIVZKNSWJFO-UHFFFAOYSA-N 0 1 267.332 2.569 20 10 CFCDMN COC(=O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528561 632479545 /nfs/dbraw/zinc/47/95/45/632479545.db2.gz IARUXTCKXGOIKS-UHFFFAOYSA-N 0 1 287.359 2.834 20 10 CFCDMN CC[C@@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574463 632487996 /nfs/dbraw/zinc/48/79/96/632487996.db2.gz IKORLFHZSAJRFQ-QGZVFWFLSA-N 0 1 271.360 2.892 20 10 CFCDMN CC[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574463 632488000 /nfs/dbraw/zinc/48/80/00/632488000.db2.gz IKORLFHZSAJRFQ-QGZVFWFLSA-N 0 1 271.360 2.892 20 10 CFCDMN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816574932 632489437 /nfs/dbraw/zinc/48/94/37/632489437.db2.gz WYMYYZPCCZELKK-LSDHHAIUSA-N 0 1 271.360 2.794 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816589240 632489990 /nfs/dbraw/zinc/48/99/90/632489990.db2.gz PLQKTLYPSUEKDQ-IUODEOHRSA-N 0 1 299.370 2.929 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1C ZINC000816589240 632489995 /nfs/dbraw/zinc/48/99/95/632489995.db2.gz PLQKTLYPSUEKDQ-IUODEOHRSA-N 0 1 299.370 2.929 20 10 CFCDMN C[N@H+](CCCCO)Cc1ccc2ccccc2c1[O-] ZINC000816588995 632490455 /nfs/dbraw/zinc/49/04/55/632490455.db2.gz IDJKEAXHTVWQDS-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN C[N@@H+](CCCCO)Cc1ccc2ccccc2c1[O-] ZINC000816588995 632490459 /nfs/dbraw/zinc/49/04/59/632490459.db2.gz IDJKEAXHTVWQDS-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816665767 632508488 /nfs/dbraw/zinc/50/84/88/632508488.db2.gz TYSWPVLUBKNABX-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN C[C@@H](O)[C@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000846019427 632616054 /nfs/dbraw/zinc/61/60/54/632616054.db2.gz ZHFPPQSCWXORBU-HWPZZCPQSA-N 0 1 293.313 2.882 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000817413900 632625108 /nfs/dbraw/zinc/62/51/08/632625108.db2.gz DIFCIKVHAKIRIR-PSASIEDQSA-N 0 1 273.735 2.530 20 10 CFCDMN COc1cccc([C@@H](C)NCc2nccs2)c1O ZINC000846147553 632646874 /nfs/dbraw/zinc/64/68/74/632646874.db2.gz VYGGKJJARAHXIO-SECBINFHSA-N 0 1 264.350 2.708 20 10 CFCDMN CON1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000817587268 632671273 /nfs/dbraw/zinc/67/12/73/632671273.db2.gz CZDGXOGIBQTYQD-SNVBAGLBSA-N 0 1 284.787 2.722 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000817881464 632717176 /nfs/dbraw/zinc/71/71/76/632717176.db2.gz UJCOAMOJLYSVSE-CHWSQXEVSA-N 0 1 277.364 2.694 20 10 CFCDMN CC[C@@H](NCC[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951302 632751575 /nfs/dbraw/zinc/75/15/75/632751575.db2.gz DEDLSEAUSQYBJT-SNVBAGLBSA-N 0 1 277.195 2.959 20 10 CFCDMN N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000818431959 632843748 /nfs/dbraw/zinc/84/37/48/632843748.db2.gz XXUGTYCKAKQPRZ-VXGBXAGGSA-N 0 1 299.212 2.514 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848638608 633305765 /nfs/dbraw/zinc/30/57/65/633305765.db2.gz AARYUVWBNJSBRD-PLNGDYQASA-N 0 1 288.391 2.705 20 10 CFCDMN CCc1cccc(CN(CC(=O)OC)C2CCCC2)c1O ZINC000848889620 633364983 /nfs/dbraw/zinc/36/49/83/633364983.db2.gz NJKMPCQDTXOKLK-UHFFFAOYSA-N 0 1 291.391 2.872 20 10 CFCDMN CCc1cccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000848903822 633391215 /nfs/dbraw/zinc/39/12/15/633391215.db2.gz FAQVXWBKHYPRGS-LBPRGKRZSA-N 0 1 292.423 2.690 20 10 CFCDMN CCc1cccc(CN(CC(=O)OC)[C@H](C)CC)c1O ZINC000848908592 633394047 /nfs/dbraw/zinc/39/40/47/633394047.db2.gz YHQYPXRPCHEWCW-GFCCVEGCSA-N 0 1 279.380 2.728 20 10 CFCDMN CCc1cccc(CN2CC(O)(c3ccccc3)C2)c1O ZINC000848912261 633396732 /nfs/dbraw/zinc/39/67/32/633396732.db2.gz CUIDKWGWUQILNT-UHFFFAOYSA-N 0 1 283.371 2.658 20 10 CFCDMN Cc1noc(CN(C)Cc2cc(Cl)cc(F)c2O)n1 ZINC000848927867 633411330 /nfs/dbraw/zinc/41/13/30/633411330.db2.gz PJJKJNDPXBXCET-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN Cc1noc(CN(C)Cc2c(O)ccc(Cl)c2F)n1 ZINC000848927890 633411400 /nfs/dbraw/zinc/41/14/00/633411400.db2.gz QAAVVDJTFULNSF-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388910 633972338 /nfs/dbraw/zinc/97/23/38/633972338.db2.gz REBADZHKGZVBSN-NSHDSACASA-N 0 1 269.772 2.544 20 10 CFCDMN CON(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000850479544 634011077 /nfs/dbraw/zinc/01/10/77/634011077.db2.gz WWUWEGNXNOHKKU-GFCCVEGCSA-N 0 1 274.364 2.689 20 10 CFCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000850484744 634013746 /nfs/dbraw/zinc/01/37/46/634013746.db2.gz PPJIFZUAOBJUNX-UEKVPHQBSA-N 0 1 299.798 2.748 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850570415 634055752 /nfs/dbraw/zinc/05/57/52/634055752.db2.gz GZEBEMHJKDVXQZ-CKLFPEKLSA-N 0 1 255.745 2.874 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850572818 634057264 /nfs/dbraw/zinc/05/72/64/634057264.db2.gz PMQDZXVJHDHOJS-MNOVXSKESA-N 0 1 275.352 2.546 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000858322003 636188050 /nfs/dbraw/zinc/18/80/50/636188050.db2.gz KBEPJRAMVIXCMT-MGCOHNPYSA-N 0 1 255.745 2.621 20 10 CFCDMN CCN(C)c1ccc([C@H](C)NCc2cnnn2CC)cc1 ZINC000858439332 636240423 /nfs/dbraw/zinc/24/04/23/636240423.db2.gz BDXWOWZVWZBYSP-ZDUSSCGKSA-N 0 1 287.411 2.605 20 10 CFCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858544590 636286786 /nfs/dbraw/zinc/28/67/86/636286786.db2.gz YQPOFXPTNXJZMD-NDMJEZRESA-N 0 1 269.772 2.857 20 10 CFCDMN CCOCCN(CC)Cc1cc(F)c(N(C)C)cc1F ZINC000862234460 637295199 /nfs/dbraw/zinc/29/51/99/637295199.db2.gz OVXICVBYSHXRMG-UHFFFAOYSA-N 0 1 286.366 2.889 20 10 CFCDMN CCOC[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862251169 637300557 /nfs/dbraw/zinc/30/05/57/637300557.db2.gz WTTMDSXSIALQJC-GFCCVEGCSA-N 0 1 298.377 2.889 20 10 CFCDMN CS[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862384720 637348300 /nfs/dbraw/zinc/34/83/00/637348300.db2.gz HZLKWKLOFHNYEP-NSHDSACASA-N 0 1 286.391 2.968 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000862387358 637349989 /nfs/dbraw/zinc/34/99/89/637349989.db2.gz KMBNWMVKYCACJG-VIFPVBQESA-N 0 1 275.751 2.778 20 10 CFCDMN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000862468385 637394813 /nfs/dbraw/zinc/39/48/13/637394813.db2.gz WMTAHEJMKPBQLT-LBPRGKRZSA-N 0 1 295.766 2.705 20 10 CFCDMN COC(=O)c1cc(CNCc2cc(C)ccc2O)oc1C ZINC000862476460 637396615 /nfs/dbraw/zinc/39/66/15/637396615.db2.gz UWFPILVLVRIFDT-UHFFFAOYSA-N 0 1 289.331 2.678 20 10 CFCDMN COc1cccc(CN2CCc3c(O)cccc3C2)c1O ZINC000862529838 637409236 /nfs/dbraw/zinc/40/92/36/637409236.db2.gz PBQAZUKRTHYPAU-UHFFFAOYSA-N 0 1 285.343 2.665 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000119550186 637707359 /nfs/dbraw/zinc/70/73/59/637707359.db2.gz SFDRGJYMCOFJAI-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN Cn1cc(C(F)F)c(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000866567100 638846647 /nfs/dbraw/zinc/84/66/47/638846647.db2.gz JASDBYHRUWKVBS-NSHDSACASA-N 0 1 293.317 2.840 20 10 CFCDMN CC[C@@H](NCc1cc2c(cc1O)OCO2)c1nccs1 ZINC000080259880 650655183 /nfs/dbraw/zinc/65/51/83/650655183.db2.gz IGDAJBFJDPLFIO-SNVBAGLBSA-N 0 1 292.360 2.818 20 10 CFCDMN CC[C@H](NCc1nonc1C)c1ccc(C)cc1O ZINC000872136266 641665191 /nfs/dbraw/zinc/66/51/91/641665191.db2.gz KZBXKBKAFBVYGW-LBPRGKRZSA-N 0 1 261.325 2.633 20 10 CFCDMN CC(C)(C)OC1CN(Cc2c(O)ccc3ccncc32)C1 ZINC000872751024 641920979 /nfs/dbraw/zinc/92/09/79/641920979.db2.gz FSNMXCLPFKVTNN-UHFFFAOYSA-N 0 1 286.375 2.940 20 10 CFCDMN CCCOc1ccc(CNC[C@@H](O)C(F)(F)F)cc1C ZINC000873020024 641986446 /nfs/dbraw/zinc/98/64/46/641986446.db2.gz BLJSEAQLZWIVGA-CYBMUJFWSA-N 0 1 291.313 2.797 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000124408250 642040751 /nfs/dbraw/zinc/04/07/51/642040751.db2.gz WCEYYGXBTGKOAN-DGCLKSJQSA-N 0 1 259.349 2.967 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccccn1 ZINC000019916738 642204737 /nfs/dbraw/zinc/20/47/37/642204737.db2.gz BCKVSTSRLIAAEE-UHFFFAOYSA-N 0 1 262.740 2.773 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOCC(F)(F)F ZINC000083551650 650765030 /nfs/dbraw/zinc/76/50/30/650765030.db2.gz YZJJATDDDWKOPN-UHFFFAOYSA-N 0 1 283.677 2.714 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000086814229 650797416 /nfs/dbraw/zinc/79/74/16/650797416.db2.gz FBOGWWAYTSHDKW-OAHLLOKOSA-N 0 1 276.380 2.582 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCSC1 ZINC000876573439 642927339 /nfs/dbraw/zinc/92/73/39/642927339.db2.gz REAQVQCFJCEZAS-VIFPVBQESA-N 0 1 259.321 2.608 20 10 CFCDMN COCC[N@@H+](Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876600858 642940511 /nfs/dbraw/zinc/94/05/11/642940511.db2.gz JZGCEQIWNDJXBH-UHFFFAOYSA-N 0 1 297.301 2.912 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000876764868 643000376 /nfs/dbraw/zinc/00/03/76/643000376.db2.gz QXYDIWSCOKFCDJ-BXUZGUMPSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000876764868 643000385 /nfs/dbraw/zinc/00/03/85/643000385.db2.gz QXYDIWSCOKFCDJ-BXUZGUMPSA-N 0 1 298.377 2.833 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000876790786 643010443 /nfs/dbraw/zinc/01/04/43/643010443.db2.gz XDVAUJULGSVFDG-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN Cc1cccc(O)c1CN1CCO[C@H](c2ccco2)C1 ZINC000876790786 643010449 /nfs/dbraw/zinc/01/04/49/643010449.db2.gz XDVAUJULGSVFDG-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc(F)c1F ZINC000876804901 643016540 /nfs/dbraw/zinc/01/65/40/643016540.db2.gz VTLDWOBYARUIMQ-YPMHNXCESA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)sn1 ZINC000876988496 643095080 /nfs/dbraw/zinc/09/50/80/643095080.db2.gz IGUMZNUJTJVOKM-UHFFFAOYSA-N 0 1 279.384 2.946 20 10 CFCDMN [O-]c1c(C[N@H+]2CCCSCC2)ccc(F)c1F ZINC000877170656 643188206 /nfs/dbraw/zinc/18/82/06/643188206.db2.gz RLUFVVBXIKVIOH-UHFFFAOYSA-N 0 1 259.321 2.609 20 10 CFCDMN Cn1ncc(NCc2ccc(F)c(F)c2O)c1C1CC1 ZINC000877401127 643260440 /nfs/dbraw/zinc/26/04/40/643260440.db2.gz YJLPYIQBASLNCF-UHFFFAOYSA-N 0 1 279.290 2.893 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563047 643362034 /nfs/dbraw/zinc/36/20/34/643362034.db2.gz FOORXDOELXFDHO-YUTCNCBUSA-N 0 1 297.345 2.796 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000877566318 643365494 /nfs/dbraw/zinc/36/54/94/643365494.db2.gz XXGIYBVGWBSXAB-BXKDBHETSA-N 0 1 271.307 2.527 20 10 CFCDMN Cc1cccc(O)c1CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000877571257 643370368 /nfs/dbraw/zinc/37/03/68/643370368.db2.gz ZZTRGMHQWBKDOZ-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN C[N@H+](CCN1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877615035 643401005 /nfs/dbraw/zinc/40/10/05/643401005.db2.gz MDBFKBKKQWYDCT-UHFFFAOYSA-N 0 1 284.350 2.588 20 10 CFCDMN C[N@@H+](CCN1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877615035 643401012 /nfs/dbraw/zinc/40/10/12/643401012.db2.gz MDBFKBKKQWYDCT-UHFFFAOYSA-N 0 1 284.350 2.588 20 10 CFCDMN COC(=O)c1oc(CNCc2cc(F)ccc2O)cc1C ZINC000877694146 643459635 /nfs/dbraw/zinc/45/96/35/643459635.db2.gz ZZBCQINZUJZCKG-UHFFFAOYSA-N 0 1 293.294 2.509 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000877743550 643519963 /nfs/dbraw/zinc/51/99/63/643519963.db2.gz WQUUSTLDUYWTRA-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@@H](NCc1cc2n(n1)CCCC2)c1ccccc1O ZINC000877755589 643535624 /nfs/dbraw/zinc/53/56/24/643535624.db2.gz HGGHGBMWULLSKY-GFCCVEGCSA-N 0 1 271.364 2.776 20 10 CFCDMN C[N@@H+](CCCOC(F)(F)F)Cc1ccccc1O ZINC000878242486 643804846 /nfs/dbraw/zinc/80/48/46/643804846.db2.gz RXLTXYFNQITAJS-UHFFFAOYSA-N 0 1 263.259 2.751 20 10 CFCDMN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092456530 650920640 /nfs/dbraw/zinc/92/06/40/650920640.db2.gz AZZGPMGBQYGMBG-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092456530 650920641 /nfs/dbraw/zinc/92/06/41/650920641.db2.gz AZZGPMGBQYGMBG-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000304075972 651014247 /nfs/dbraw/zinc/01/42/47/651014247.db2.gz XADPONPBTLFZHI-HZMBPMFUSA-N 0 1 271.788 2.932 20 10 CFCDMN CCc1nc(CNCc2cc(F)cc(F)c2O)co1 ZINC000883137101 645621224 /nfs/dbraw/zinc/62/12/24/645621224.db2.gz WUGHTGAJIUGVSA-UHFFFAOYSA-N 0 1 268.263 2.511 20 10 CFCDMN CCOc1ccc(CNCc2cc(C3CC3)no2)c(O)c1 ZINC000886272629 646944757 /nfs/dbraw/zinc/94/47/57/646944757.db2.gz WNEWHDAKTKZOFV-UHFFFAOYSA-N 0 1 288.347 2.946 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000219899450 647048860 /nfs/dbraw/zinc/04/88/60/647048860.db2.gz NSFYYVAAQPPUCW-CABZTGNLSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000886670807 647101805 /nfs/dbraw/zinc/10/18/05/647101805.db2.gz WQXBVJSUJPUGAF-WCFLWFBJSA-N 0 1 299.798 2.626 20 10 CFCDMN Cc1cc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])nn1C ZINC000926910870 648653605 /nfs/dbraw/zinc/65/36/05/648653605.db2.gz MTWRLLUWZGXLSL-LLVKDONJSA-N 0 1 293.798 2.981 20 10 CFCDMN C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Cl)ccc1[O-] ZINC000926999360 648678477 /nfs/dbraw/zinc/67/84/77/648678477.db2.gz BQFJEEFQVXIVJD-JTQLQIEISA-N 0 1 297.782 2.849 20 10 CFCDMN C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927079866 648701662 /nfs/dbraw/zinc/70/16/62/648701662.db2.gz GMZAZOQJPJDZOH-ZYHUDNBSSA-N 0 1 285.771 2.502 20 10 CFCDMN C[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927113034 648716589 /nfs/dbraw/zinc/71/65/89/648716589.db2.gz VNVAZVPRGJMLQH-LLVKDONJSA-N 0 1 271.364 2.854 20 10 CFCDMN CCCN(Cc1nn(C)cc1C)Cc1ccccc1O ZINC000929753939 649112047 /nfs/dbraw/zinc/11/20/47/649112047.db2.gz YNIQEGCMSXOTDU-UHFFFAOYSA-N 0 1 273.380 2.846 20 10 CFCDMN COC[C@@H](C[N@@H+](C)Cc1ccccc1O)C(C)C ZINC000929975007 649158659 /nfs/dbraw/zinc/15/86/59/649158659.db2.gz CROUKRZSLZDRPD-CQSZACIVSA-N 0 1 251.370 2.743 20 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C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC001140337794 770526291 /nfs/dbraw/zinc/52/62/91/770526291.db2.gz FDWDECYMGQNINV-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC001140337794 770526300 /nfs/dbraw/zinc/52/63/00/770526300.db2.gz FDWDECYMGQNINV-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813342 775337419 /nfs/dbraw/zinc/33/74/19/775337419.db2.gz AQWHJNKVNAMHLX-HZMBPMFUSA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813342 775337429 /nfs/dbraw/zinc/33/74/29/775337429.db2.gz AQWHJNKVNAMHLX-HZMBPMFUSA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813342 775337439 /nfs/dbraw/zinc/33/74/39/775337439.db2.gz AQWHJNKVNAMHLX-HZMBPMFUSA-N 0 1 267.756 2.656 20 10 CFCDMN Cc1c(O)ccc(CN2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001140743944 775393379 /nfs/dbraw/zinc/39/33/79/775393379.db2.gz 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20 10 CFCDMN O=C1CN(Cc2cccc(Cl)c2O)CCC[C@@H]1F ZINC001231909313 777378781 /nfs/dbraw/zinc/37/87/81/777378781.db2.gz IMKMRIIAWLQTSS-NSHDSACASA-N 0 1 271.719 2.549 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231910355 777379852 /nfs/dbraw/zinc/37/98/52/777379852.db2.gz MIEFUGIMAOXSSL-YGRLFVJLSA-N 0 1 269.772 2.638 20 10 CFCDMN O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)O1 ZINC001231912851 777380882 /nfs/dbraw/zinc/38/08/82/777380882.db2.gz BKJCCMHIPCMAFK-OAHLLOKOSA-N 0 1 295.766 2.717 20 10 CFCDMN C[C@]1(O)CCCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231909855 777381297 /nfs/dbraw/zinc/38/12/97/777381297.db2.gz RKBJCQPIKPKRTA-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN CCN(CC[NH+]1CCCC1)Cc1cccc(Cl)c1[O-] ZINC001231911982 777381837 /nfs/dbraw/zinc/38/18/37/777381837.db2.gz RPUPITUXSRLLQP-UHFFFAOYSA-N 0 1 282.815 2.963 20 10 CFCDMN CC(C)[N@H+]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC001231913558 777383265 /nfs/dbraw/zinc/38/32/65/777383265.db2.gz MOUFYWHRJZWIDD-LBPRGKRZSA-N 0 1 282.815 2.960 20 10 CFCDMN CC[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1[O-] ZINC001231914834 777383500 /nfs/dbraw/zinc/38/35/00/777383500.db2.gz ROKAJHGQENYZTN-UHFFFAOYSA-N 0 1 279.771 2.764 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@@]1(C)O ZINC001232258595 777496607 /nfs/dbraw/zinc/49/66/07/777496607.db2.gz AUHRROFPCGAYCI-ZUZCIYMTSA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@H]1C[N@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@]1(C)O ZINC001232258595 777496611 /nfs/dbraw/zinc/49/66/11/777496611.db2.gz AUHRROFPCGAYCI-ZUZCIYMTSA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@]1(C)O ZINC001232258595 777496614 /nfs/dbraw/zinc/49/66/14/777496614.db2.gz AUHRROFPCGAYCI-ZUZCIYMTSA-N 0 1 299.798 2.734 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1Cl ZINC001232266692 777499467 /nfs/dbraw/zinc/49/94/67/777499467.db2.gz RCQOADAEKUBHEX-MEBBXXQBSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1Cl ZINC001232266692 777499469 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779145425 /nfs/dbraw/zinc/14/54/25/779145425.db2.gz NCYVSIQFQYQWCU-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1O)Cc1ncccn1 ZINC001237619489 779146169 /nfs/dbraw/zinc/14/61/69/779146169.db2.gz ONHJHJWPNDDIEW-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC001237687484 779161292 /nfs/dbraw/zinc/16/12/92/779161292.db2.gz DLYCQMNPYSQXJU-UHFFFAOYSA-N 0 1 297.782 2.882 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CC2(C1)CCCO2 ZINC001237798823 779179977 /nfs/dbraw/zinc/17/99/77/779179977.db2.gz CRUPIVGWMXADLL-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCOCC12CC2 ZINC001237800670 779182189 /nfs/dbraw/zinc/18/21/89/779182189.db2.gz ALGBYLXAQLRFHB-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799628 779182078 /nfs/dbraw/zinc/18/20/78/779182078.db2.gz SHSUEWOEUWLCEA-KCJUWKMLSA-N 0 1 273.735 2.530 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237801852 779182223 /nfs/dbraw/zinc/18/22/23/779182223.db2.gz JEVMOMCVCCZNGN-GHMZBOCLSA-N 0 1 271.719 2.548 20 10 CFCDMN O=C1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]12 ZINC001237800327 779182436 /nfs/dbraw/zinc/18/24/36/779182436.db2.gz JMQRQTGLBCPSST-CABZTGNLSA-N 0 1 297.757 2.986 20 10 CFCDMN CC(C)OC1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237805266 779183510 /nfs/dbraw/zinc/18/35/10/779183510.db2.gz KTDOHAPKNSCGLX-UHFFFAOYSA-N 0 1 273.735 2.794 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CC(F)(F)C1 ZINC001237804325 779183589 /nfs/dbraw/zinc/18/35/89/779183589.db2.gz CBOMCJUUAGLLKN-UHFFFAOYSA-N 0 1 251.635 2.636 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001237807490 779184546 /nfs/dbraw/zinc/18/45/46/779184546.db2.gz KHFFLOXZXKGBGP-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@@H]1F ZINC001237809111 779185973 /nfs/dbraw/zinc/18/59/73/779185973.db2.gz ZMTPQSGGWKEFQP-HQJQHLMTSA-N 0 1 261.699 2.975 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@]1(C)O ZINC001237809065 779185768 /nfs/dbraw/zinc/18/57/68/779185768.db2.gz YYDHGDHRQPVUMR-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@@H]1F ZINC001237809111 779185976 /nfs/dbraw/zinc/18/59/76/779185976.db2.gz ZMTPQSGGWKEFQP-HQJQHLMTSA-N 0 1 261.699 2.975 20 10 CFCDMN CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000388279115 779200695 /nfs/dbraw/zinc/20/06/95/779200695.db2.gz KGTTWDMOTQMUFX-XPTSAGLGSA-N 0 1 269.772 2.949 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001237933395 779209042 /nfs/dbraw/zinc/20/90/42/779209042.db2.gz BBGGYZOKUPUPPV-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798216 779717906 /nfs/dbraw/zinc/71/79/06/779717906.db2.gz AUUSVJCHISJRBK-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237950306 779726632 /nfs/dbraw/zinc/72/66/32/779726632.db2.gz RFPRKLSFWWXJBT-YMTOWFKASA-N 0 1 285.746 2.796 20 10 CFCDMN COc1cccc(CNCc2ccc(Cl)o2)c1O ZINC000700588245 780700259 /nfs/dbraw/zinc/70/02/59/780700259.db2.gz ZKOIXKSGYFENLM-UHFFFAOYSA-N 0 1 267.712 2.937 20 10 CFCDMN COC(C)(C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701013169 780748302 /nfs/dbraw/zinc/74/83/02/780748302.db2.gz CKRCDCOXXZQPRB-UHFFFAOYSA-N 0 1 288.185 2.669 20 10 CFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C=CCC1 ZINC000701057355 780755989 /nfs/dbraw/zinc/75/59/89/780755989.db2.gz MBFWANFLVMEDDS-LLVKDONJSA-N 0 1 268.154 2.963 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001137831653 780857647 /nfs/dbraw/zinc/85/76/47/780857647.db2.gz IOUAPLNFKDPXLI-XHDPSFHLSA-N 0 1 265.328 2.532 20 10 CFCDMN OCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703364798 781010484 /nfs/dbraw/zinc/01/04/84/781010484.db2.gz LQXOEPYKWFWCRG-UHFFFAOYSA-N 0 1 265.259 2.775 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000703458474 781015397 /nfs/dbraw/zinc/01/53/97/781015397.db2.gz JETILKJOAFZPEC-QWHCGFSZSA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000703458474 781015399 /nfs/dbraw/zinc/01/53/99/781015399.db2.gz JETILKJOAFZPEC-QWHCGFSZSA-N 0 1 283.318 2.814 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703439818 781016516 /nfs/dbraw/zinc/01/65/16/781016516.db2.gz TYMXVFDUFXFUFN-CQSZACIVSA-N 0 1 271.307 2.529 20 10 CFCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO1 ZINC000703541329 781027124 /nfs/dbraw/zinc/02/71/24/781027124.db2.gz NFUOQMRJLOJQHW-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(F)ccc1[O-] ZINC000703547706 781028865 /nfs/dbraw/zinc/02/88/65/781028865.db2.gz HSQDKRVNCRUHDT-VLRKGOCCSA-N 0 1 267.344 2.876 20 10 CFCDMN C[C@H](F)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706824825 781203739 /nfs/dbraw/zinc/20/37/39/781203739.db2.gz HWPKULINWJHCOU-QMMMGPOBSA-N 0 1 276.149 2.992 20 10 CFCDMN C[C@@H]1C[C@@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706829986 781205120 /nfs/dbraw/zinc/20/51/20/781205120.db2.gz JJPWFMQXSWRSNY-RKDXNWHRSA-N 0 1 270.170 2.900 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707172951 781229566 /nfs/dbraw/zinc/22/95/66/781229566.db2.gz YXYBJKGMTJIWAU-SECBINFHSA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707172951 781229572 /nfs/dbraw/zinc/22/95/72/781229572.db2.gz YXYBJKGMTJIWAU-SECBINFHSA-N 0 1 270.170 2.997 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000708411601 781273476 /nfs/dbraw/zinc/27/34/76/781273476.db2.gz BLXOTQCSZVVGQY-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CCOCC1 ZINC000708414916 781273924 /nfs/dbraw/zinc/27/39/24/781273924.db2.gz UCXNLUMIZBVGJN-UHFFFAOYSA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711831029 781474924 /nfs/dbraw/zinc/47/49/24/781474924.db2.gz FXYWHWVTKLJKTA-LRDDRELGSA-N 0 1 279.355 2.826 20 10 CFCDMN COc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000146915280 347946518 /nfs/dbraw/zinc/94/65/18/347946518.db2.gz KZBZYYYAPWQMTR-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000289245268 291058382 /nfs/dbraw/zinc/05/83/82/291058382.db2.gz ARFVKHFZGDFMKP-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN CCC[N@H+](CCCN(C)C)Cc1cccc(F)c1[O-] ZINC000290359824 283225134 /nfs/dbraw/zinc/22/51/34/283225134.db2.gz GUKRJPIMISAFJG-UHFFFAOYSA-N 0 1 268.376 2.695 20 10 CFCDMN CCC[N@@H+](CCCN(C)C)Cc1cccc(F)c1[O-] ZINC000290359824 283225137 /nfs/dbraw/zinc/22/51/37/283225137.db2.gz GUKRJPIMISAFJG-UHFFFAOYSA-N 0 1 268.376 2.695 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCO2)c1[O-] ZINC000048948786 373235235 /nfs/dbraw/zinc/23/52/35/373235235.db2.gz VOBZRFIKRIGDLT-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1[O-] ZINC000048948786 373235239 /nfs/dbraw/zinc/23/52/39/373235239.db2.gz VOBZRFIKRIGDLT-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN COCc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091956492 375072907 /nfs/dbraw/zinc/07/29/07/375072907.db2.gz ACTMCFTWBKMGOF-UHFFFAOYSA-N 0 1 261.321 2.764 20 10 CFCDMN CCCOc1ccc(CN2CCOC[C@H]2C2CC2)c(O)c1 ZINC000093645697 375283481 /nfs/dbraw/zinc/28/34/81/375283481.db2.gz YODAYBANQSEGKE-INIZCTEOSA-N 0 1 291.391 2.792 20 10 CFCDMN COCCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113330994 376010388 /nfs/dbraw/zinc/01/03/88/376010388.db2.gz IPLVXNJNJSZJIK-UHFFFAOYSA-N 0 1 257.761 2.952 20 10 CFCDMN COC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132680509 377865839 /nfs/dbraw/zinc/86/58/39/377865839.db2.gz SDXJXGBZSQTEJD-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN COC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132680509 377865843 /nfs/dbraw/zinc/86/58/43/377865843.db2.gz SDXJXGBZSQTEJD-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN COCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134903475 378060432 /nfs/dbraw/zinc/06/04/32/378060432.db2.gz MIJLZUQQQKIEEN-VIFPVBQESA-N 0 1 288.185 2.842 20 10 CFCDMN COCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134903490 378060721 /nfs/dbraw/zinc/06/07/21/378060721.db2.gz MIJLZUQQQKIEEN-SECBINFHSA-N 0 1 288.185 2.842 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)O)c1ccc(Br)cc1[O-] ZINC000134920217 378063721 /nfs/dbraw/zinc/06/37/21/378063721.db2.gz APAINAFKAWNZGI-MRVPVSSYSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CN1C1CC1 ZINC000151108432 378296103 /nfs/dbraw/zinc/29/61/03/378296103.db2.gz VAWSWUXPWOYAKK-WDEREUQCSA-N 0 1 280.799 2.760 20 10 CFCDMN COCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000151198907 378305733 /nfs/dbraw/zinc/30/57/33/378305733.db2.gz PCFGOSYAKHAWQN-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cnccn1 ZINC000177974512 380398513 /nfs/dbraw/zinc/39/85/13/380398513.db2.gz PFWCTONARUJPDZ-AWEZNQCLSA-N 0 1 282.391 2.928 20 10 CFCDMN COc1cc(O)c(CN(C)Cc2ccco2)cc1OC ZINC000179582194 380560161 /nfs/dbraw/zinc/56/01/61/380560161.db2.gz FADALXJYWDAKBB-UHFFFAOYSA-N 0 1 277.320 2.634 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000179780288 380580094 /nfs/dbraw/zinc/58/00/94/380580094.db2.gz DJIYJDWQXPORRT-LBPRGKRZSA-N 0 1 287.363 2.504 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180392851 380651701 /nfs/dbraw/zinc/65/17/01/380651701.db2.gz DRLJIOJXGZHFAK-CYBMUJFWSA-N 0 1 294.826 2.963 20 10 CFCDMN CCn1ccnc1CN[C@@H](C)c1ccc(C)cc1O ZINC000296302209 381339384 /nfs/dbraw/zinc/33/93/84/381339384.db2.gz FYHHOLDNGVFPCF-LBPRGKRZSA-N 0 1 259.353 2.768 20 10 CFCDMN CCOc1ccc(O)c(CN[C@H](CCO)c2ccco2)c1 ZINC000184512503 381426835 /nfs/dbraw/zinc/42/68/35/381426835.db2.gz UYJRNXLISQZGJA-CQSZACIVSA-N 0 1 291.347 2.597 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185386681 381619328 /nfs/dbraw/zinc/61/93/28/381619328.db2.gz WGGYTOWSABDYKG-KOLCDFICSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185638447 381689995 /nfs/dbraw/zinc/68/99/95/381689995.db2.gz PIUWLDVPJHJJJX-NOZJJQNGSA-N 0 1 287.812 2.564 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1[O-] ZINC000186114937 381826195 /nfs/dbraw/zinc/82/61/95/381826195.db2.gz ZRNPVOXOBMQGIB-SKDRFNHKSA-N 0 1 291.782 2.977 20 10 CFCDMN COCC(C)(C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000292786306 381835304 /nfs/dbraw/zinc/83/53/04/381835304.db2.gz LYGLOEZPILYZST-UHFFFAOYSA-N 0 1 257.761 2.902 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(F)ccc1[O-] ZINC000186075841 381818038 /nfs/dbraw/zinc/81/80/38/381818038.db2.gz YFAZFTKMDGJKJX-WDEREUQCSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@@H]([NH2+]CCCOCCO)c1ccc2ccccc2c1[O-] ZINC000186514219 381932915 /nfs/dbraw/zinc/93/29/15/381932915.db2.gz VHHXMYONEKDNFE-CYBMUJFWSA-N 0 1 289.375 2.595 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000373478832 382014230 /nfs/dbraw/zinc/01/42/30/382014230.db2.gz HXAVWLACKJUEFH-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000373478832 382014234 /nfs/dbraw/zinc/01/42/34/382014234.db2.gz HXAVWLACKJUEFH-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000373371758 381989677 /nfs/dbraw/zinc/98/96/77/381989677.db2.gz XIBIGKXCFMYJDH-HZPDHXFCSA-N 0 1 279.355 2.826 20 10 CFCDMN Oc1ccc(F)cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364320864 382305767 /nfs/dbraw/zinc/30/57/67/382305767.db2.gz AAPXLYLFTODVFH-OAHLLOKOSA-N 0 1 298.321 2.529 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000188106613 382345205 /nfs/dbraw/zinc/34/52/05/382345205.db2.gz SGBFYBMRGIWSQD-UKRRQHHQSA-N 0 1 291.391 2.640 20 10 CFCDMN CO[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000188131270 382352241 /nfs/dbraw/zinc/35/22/41/382352241.db2.gz ZRUUGYBINRMAFQ-RKDXNWHRSA-N 0 1 288.185 2.840 20 10 CFCDMN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294001426 382373370 /nfs/dbraw/zinc/37/33/70/382373370.db2.gz SUJSWZZXJYVVKQ-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365799856 382446561 /nfs/dbraw/zinc/44/65/61/382446561.db2.gz XWKISUDICJWYGR-NSHDSACASA-N 0 1 292.335 2.541 20 10 CFCDMN COc1cccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000294202617 382458223 /nfs/dbraw/zinc/45/82/23/382458223.db2.gz XWBQMFORMHLKFC-IRXDYDNUSA-N 0 1 289.375 2.544 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000378501859 382475031 /nfs/dbraw/zinc/47/50/31/382475031.db2.gz ZRJGWRHFOPFHGY-CQSZACIVSA-N 0 1 278.371 2.592 20 10 CFCDMN C[C@@H](CCN(C)C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294274363 382489455 /nfs/dbraw/zinc/48/94/55/382489455.db2.gz ONZOZUOESOOSRK-VIFPVBQESA-N 0 1 274.767 2.615 20 10 CFCDMN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000189400334 382603885 /nfs/dbraw/zinc/60/38/85/382603885.db2.gz MWUDXASPOUOTTF-NXEZZACHSA-N 0 1 284.787 2.563 20 10 CFCDMN CC(C)N(Cc1cncn1C)Cc1ccc(N(C)C)cc1 ZINC000267562368 384413853 /nfs/dbraw/zinc/41/38/53/384413853.db2.gz AYJBQAMAAQRCFP-UHFFFAOYSA-N 0 1 286.423 2.897 20 10 CFCDMN CN(C)c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000268799305 384664248 /nfs/dbraw/zinc/66/42/48/384664248.db2.gz AONVPKWPBQMSGB-HNNXBMFYSA-N 0 1 270.380 2.643 20 10 CFCDMN CN(C)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268799305 384664257 /nfs/dbraw/zinc/66/42/57/384664257.db2.gz AONVPKWPBQMSGB-HNNXBMFYSA-N 0 1 270.380 2.643 20 10 CFCDMN Cc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271039832 385315498 /nfs/dbraw/zinc/31/54/98/385315498.db2.gz IDVSHKTVXVILTP-UHFFFAOYSA-N 0 1 298.434 2.959 20 10 CFCDMN CCCC[N@H+](CCCCO)Cc1ccccc1[O-] ZINC000282521477 385333059 /nfs/dbraw/zinc/33/30/59/385333059.db2.gz TZNLMOONXKLZMK-UHFFFAOYSA-N 0 1 251.370 2.767 20 10 CFCDMN CCCC[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC000282521477 385333063 /nfs/dbraw/zinc/33/30/63/385333063.db2.gz TZNLMOONXKLZMK-UHFFFAOYSA-N 0 1 251.370 2.767 20 10 CFCDMN C[N@H+]1CCN(Cc2cccc(Cl)c2[O-])C(C)(C)C1 ZINC000271839915 385393559 /nfs/dbraw/zinc/39/35/59/385393559.db2.gz QBNKAXOECIXKKW-UHFFFAOYSA-N 0 1 268.788 2.572 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+](CCO)C1CCCCC1 ZINC000272312744 385507741 /nfs/dbraw/zinc/50/77/41/385507741.db2.gz RVAWRFWQGDLUIW-UHFFFAOYSA-N 0 1 267.344 2.658 20 10 CFCDMN COCCCOCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000272397505 385527934 /nfs/dbraw/zinc/52/79/34/385527934.db2.gz WDTZYOVCXVRSNC-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN COCCCOCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000272397505 385527938 /nfs/dbraw/zinc/52/79/38/385527938.db2.gz WDTZYOVCXVRSNC-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN C[C@H]1COCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000285365399 385555401 /nfs/dbraw/zinc/55/54/01/385555401.db2.gz BTLRJAPGHKBEMW-WDEREUQCSA-N 0 1 269.772 2.808 20 10 CFCDMN CCOC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000286223190 385573749 /nfs/dbraw/zinc/57/37/49/385573749.db2.gz RBHPMAJMAKXKMI-HNNXBMFYSA-N 0 1 297.370 2.885 20 10 CFCDMN C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881345 386069371 /nfs/dbraw/zinc/06/93/71/386069371.db2.gz GDBRDPLWDDEMNB-BPNCWPANSA-N 0 1 296.361 2.948 20 10 CFCDMN C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881345 386069374 /nfs/dbraw/zinc/06/93/74/386069374.db2.gz GDBRDPLWDDEMNB-BPNCWPANSA-N 0 1 296.361 2.948 20 10 CFCDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276928982 386083903 /nfs/dbraw/zinc/08/39/03/386083903.db2.gz NZFJDAOUSWOKIJ-NXEZZACHSA-N 0 1 272.339 2.661 20 10 CFCDMN COc1cc(-c2nccc3c2ccn3C)cnc1OC ZINC001240619723 781985048 /nfs/dbraw/zinc/98/50/48/781985048.db2.gz QVVNHPYUCFLHGE-UHFFFAOYSA-N 0 1 269.304 2.653 20 10 CFCDMN CCC[N@@H+](CCn1cccn1)Cc1ccccc1O ZINC000068973537 393635836 /nfs/dbraw/zinc/63/58/36/393635836.db2.gz VTVZQSGLBQBIOP-UHFFFAOYSA-N 0 1 259.353 2.501 20 10 CFCDMN C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccccc1O ZINC000109773309 393879280 /nfs/dbraw/zinc/87/92/80/393879280.db2.gz LTMWJUZPTMEENV-AWEZNQCLSA-N 0 1 298.386 2.529 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000280603024 394073215 /nfs/dbraw/zinc/07/32/15/394073215.db2.gz OEEKQAUJONEOHK-QMTHXVAHSA-N 0 1 265.328 2.531 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC000367047809 394250414 /nfs/dbraw/zinc/25/04/14/394250414.db2.gz NDOIDCZQOQIMRT-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000365840538 413118559 /nfs/dbraw/zinc/11/85/59/413118559.db2.gz WIGFBBIAJQZDDE-INIZCTEOSA-N 0 1 299.422 2.906 20 10 CFCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000020123192 171004457 /nfs/dbraw/zinc/00/44/57/171004457.db2.gz PEKCQCYLNHXJAU-ZDUSSCGKSA-N 0 1 255.365 2.998 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000020207150 171071208 /nfs/dbraw/zinc/07/12/08/171071208.db2.gz XLVFIRRMSHBUKY-TVQRCGJNSA-N 0 1 255.745 2.703 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N2CCO[C@H](C3CC3)C2)c1 ZINC000364627125 262255592 /nfs/dbraw/zinc/25/55/92/262255592.db2.gz BZPKTZCQURCIHX-BZNIZROVSA-N 0 1 277.364 2.573 20 10 CFCDMN CC[C@@H](NCc1ccc2c(c1)CCN2C)c1nccn1C ZINC000368733028 267200556 /nfs/dbraw/zinc/20/05/56/267200556.db2.gz WGXDTYWLGSOUSJ-OAHLLOKOSA-N 0 1 284.407 2.653 20 10 CFCDMN C[C@H](N[C@@H](CCO)c1ccco1)c1cc(F)ccc1O ZINC000186534848 278268879 /nfs/dbraw/zinc/26/88/79/278268879.db2.gz QXIRLINVESHVGI-GWCFXTLKSA-N 0 1 279.311 2.899 20 10 CFCDMN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCC[C@@H](CO)C1 ZINC000377548877 280219117 /nfs/dbraw/zinc/21/91/17/280219117.db2.gz IYMAEEYASSBIKJ-HIFRSBDPSA-N 0 1 263.381 2.938 20 10 CFCDMN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCC[C@@H](CO)C1 ZINC000377548877 280219118 /nfs/dbraw/zinc/21/91/18/280219118.db2.gz IYMAEEYASSBIKJ-HIFRSBDPSA-N 0 1 263.381 2.938 20 10 CFCDMN CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294222941 500767508 /nfs/dbraw/zinc/76/75/08/500767508.db2.gz YYSRSWSWAGXHCN-MSOLQXFVSA-N 0 1 286.419 2.896 20 10 CFCDMN CCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000272243983 519842482 /nfs/dbraw/zinc/84/24/82/519842482.db2.gz BBUVHZCKWGHTSE-UHFFFAOYSA-N 0 1 267.344 2.828 20 10 CFCDMN CC(C)n1cnnc1CN(C)Cc1cccc(Cl)c1O ZINC000292847116 520057411 /nfs/dbraw/zinc/05/74/11/520057411.db2.gz SVXXNNMJLUWVII-UHFFFAOYSA-N 0 1 294.786 2.850 20 10 CFCDMN CCN(CC)C(=O)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000264930217 520465185 /nfs/dbraw/zinc/46/51/85/520465185.db2.gz AKLAOFQWQDPLQI-UHFFFAOYSA-N 0 1 298.814 2.784 20 10 CFCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000275969358 520471557 /nfs/dbraw/zinc/47/15/57/520471557.db2.gz LLFLECMMEHAZTQ-CYBMUJFWSA-N 0 1 269.772 2.638 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000275969358 520471563 /nfs/dbraw/zinc/47/15/63/520471563.db2.gz LLFLECMMEHAZTQ-CYBMUJFWSA-N 0 1 269.772 2.638 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)[nH]n1 ZINC000282531440 520546930 /nfs/dbraw/zinc/54/69/30/520546930.db2.gz QMJNLLKIZFVQKE-UHFFFAOYSA-N 0 1 287.363 2.866 20 10 CFCDMN CCN(CC)c1ccc(CNCc2snnc2C)cc1 ZINC000291641725 520907361 /nfs/dbraw/zinc/90/73/61/520907361.db2.gz BQAOAHITGHGVKE-UHFFFAOYSA-N 0 1 290.436 2.983 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228156235 521341608 /nfs/dbraw/zinc/34/16/08/521341608.db2.gz VVLSIZJMHGUQLF-CABCVRRESA-N 0 1 291.391 2.934 20 10 CFCDMN CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295064963 521440727 /nfs/dbraw/zinc/44/07/27/521440727.db2.gz AJIXPTVVRWJEBZ-UHFFFAOYSA-N 0 1 297.761 2.940 20 10 CFCDMN CCCN(Cc1n[nH]cc1C)Cc1ccccc1O ZINC000290484259 521693169 /nfs/dbraw/zinc/69/31/69/521693169.db2.gz RCTUVFBSBPSKQT-UHFFFAOYSA-N 0 1 259.353 2.836 20 10 CFCDMN CO[C@]1(C)CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000230275411 521750630 /nfs/dbraw/zinc/75/06/30/521750630.db2.gz ZUYHRBXOZLCSHF-MRXNPFEDSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@]1(C)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000230275411 521750633 /nfs/dbraw/zinc/75/06/33/521750633.db2.gz ZUYHRBXOZLCSHF-MRXNPFEDSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000230275411 521750637 /nfs/dbraw/zinc/75/06/37/521750637.db2.gz ZUYHRBXOZLCSHF-MRXNPFEDSA-N 0 1 295.354 2.735 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000278565075 521866640 /nfs/dbraw/zinc/86/66/40/521866640.db2.gz BSIXTVWUGJZHMP-UHFFFAOYSA-N 0 1 280.324 2.541 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278274863 521868080 /nfs/dbraw/zinc/86/80/80/521868080.db2.gz SFRPVRGHEHOKOA-GHMZBOCLSA-N 0 1 294.351 2.929 20 10 CFCDMN CCc1cnc(CNCc2cc(F)ccc2O)s1 ZINC000226612953 522036460 /nfs/dbraw/zinc/03/64/60/522036460.db2.gz QADCOKQCTPFKSK-UHFFFAOYSA-N 0 1 266.341 2.840 20 10 CFCDMN CN(C)c1ccc(CN(Cc2cnn(C)c2)C2CC2)cc1 ZINC000299611123 522175781 /nfs/dbraw/zinc/17/57/81/522175781.db2.gz LCZTYARQLFKABK-UHFFFAOYSA-N 0 1 284.407 2.651 20 10 CFCDMN CN(C)c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1F ZINC000291282496 522180013 /nfs/dbraw/zinc/18/00/13/522180013.db2.gz OTTNIOBJXQSEEX-CQSZACIVSA-N 0 1 288.370 2.535 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275978683 522535815 /nfs/dbraw/zinc/53/58/15/522535815.db2.gz LYWGKAIZRZTQSQ-JOCQHMNTSA-N 0 1 299.798 2.790 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275978683 522535821 /nfs/dbraw/zinc/53/58/21/522535821.db2.gz LYWGKAIZRZTQSQ-JOCQHMNTSA-N 0 1 299.798 2.790 20 10 CFCDMN COC1(C)CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000271695540 522570703 /nfs/dbraw/zinc/57/07/03/522570703.db2.gz GCIHJSGFSMSBBU-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN COC1(C)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000271695540 522570709 /nfs/dbraw/zinc/57/07/09/522570709.db2.gz GCIHJSGFSMSBBU-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000278644723 522760500 /nfs/dbraw/zinc/76/05/00/522760500.db2.gz DOTXGCNUIMTTIL-VZJVUDMVSA-N 0 1 299.798 2.890 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000081071736 522844662 /nfs/dbraw/zinc/84/46/62/522844662.db2.gz CDYFKPKXFFKDAA-NSHDSACASA-N 0 1 297.782 2.717 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000081071736 522844670 /nfs/dbraw/zinc/84/46/70/522844670.db2.gz CDYFKPKXFFKDAA-NSHDSACASA-N 0 1 297.782 2.717 20 10 CFCDMN CN(Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC000162154121 523436471 /nfs/dbraw/zinc/43/64/71/523436471.db2.gz HWZFLDGXJZFICN-UHFFFAOYSA-N 0 1 286.375 2.748 20 10 CFCDMN COCCN(Cc1ccccn1)Cc1cc(F)ccc1O ZINC000289864873 523757796 /nfs/dbraw/zinc/75/77/96/523757796.db2.gz QXXWEICKTYDLJQ-UHFFFAOYSA-N 0 1 290.338 2.575 20 10 CFCDMN COc1ccc(CNCc2ncccc2C)cc1C ZINC000071339852 524073695 /nfs/dbraw/zinc/07/36/95/524073695.db2.gz FIZJSJAIRMVERN-UHFFFAOYSA-N 0 1 256.349 2.997 20 10 CFCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279427594 524620760 /nfs/dbraw/zinc/62/07/60/524620760.db2.gz XMBSPWRZBNBIAF-GUYCJALGSA-N 0 1 274.408 2.752 20 10 CFCDMN C[C@H]([NH2+]CCF)c1cc(Br)ccc1[O-] ZINC000280929889 525347010 /nfs/dbraw/zinc/34/70/10/525347010.db2.gz FILUCBPNJDYVRN-ZETCQYMHSA-N 0 1 262.122 2.775 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](C)CO)c1ccc2ccccc2c1[O-] ZINC000086625903 525490708 /nfs/dbraw/zinc/49/07/08/525490708.db2.gz AROJLGUMEBTZKD-NWDGAFQWSA-N 0 1 259.349 2.824 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncnn2C)c(O)c1C ZINC000276669141 525740989 /nfs/dbraw/zinc/74/09/89/525740989.db2.gz RNZGJEOXZLEHLH-NEPJUHHUSA-N 0 1 274.368 2.549 20 10 CFCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186075855 525752062 /nfs/dbraw/zinc/75/20/62/525752062.db2.gz YFAZFTKMDGJKJX-GHMZBOCLSA-N 0 1 269.360 2.979 20 10 CFCDMN Cc1nc(CNCc2cc(F)ccc2O)c2n1CCCC2 ZINC000361906782 526889335 /nfs/dbraw/zinc/88/93/35/526889335.db2.gz IKCBDGURQSJMDT-UHFFFAOYSA-N 0 1 289.354 2.662 20 10 CFCDMN OC[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000364841376 527597492 /nfs/dbraw/zinc/59/74/92/527597492.db2.gz GSAWFODYNBBJOV-RDJZCZTQSA-N 0 1 292.398 2.582 20 10 CFCDMN COc1cc(C)cc(CN2CCOC(C)(C)[C@H]2C)c1O ZINC000754741572 574118237 /nfs/dbraw/zinc/11/82/37/574118237.db2.gz PVAVJTOXQQXJPA-GFCCVEGCSA-N 0 1 279.380 2.709 20 10 CFCDMN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756569808 574122831 /nfs/dbraw/zinc/12/28/31/574122831.db2.gz RWNYXHFJHRVXOS-OTYXRUKQSA-N 0 1 269.772 2.857 20 10 CFCDMN CN(C)C(=O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846142 574130163 /nfs/dbraw/zinc/13/01/63/574130163.db2.gz UTLOKUKFUMTRMQ-UHFFFAOYSA-N 0 1 290.407 2.615 20 10 CFCDMN CCOc1ccc(CN(C)Cc2ccccc2O)nc1 ZINC000755944344 574199874 /nfs/dbraw/zinc/19/98/74/574199874.db2.gz XHXYFLQLKUODJJ-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN COC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733183921 574204819 /nfs/dbraw/zinc/20/48/19/574204819.db2.gz POMAIEZHYJHXMR-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733183921 574204821 /nfs/dbraw/zinc/20/48/21/574204821.db2.gz POMAIEZHYJHXMR-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(F)cc(F)c1[O-] ZINC000756340087 574226562 /nfs/dbraw/zinc/22/65/62/574226562.db2.gz HRXZSVGNIVSKGP-SNVBAGLBSA-N 0 1 286.366 2.909 20 10 CFCDMN COCCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756359014 574229524 /nfs/dbraw/zinc/22/95/24/574229524.db2.gz NAAARIOICKQHCH-NSHDSACASA-N 0 1 287.787 2.749 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756620779 574252587 /nfs/dbraw/zinc/25/25/87/574252587.db2.gz MRPMONONXIBFCW-CKYFFXLPSA-N 0 1 267.344 2.688 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756620783 574252839 /nfs/dbraw/zinc/25/28/39/574252839.db2.gz MRPMONONXIBFCW-JFGNBEQYSA-N 0 1 267.344 2.688 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC000756763967 574260957 /nfs/dbraw/zinc/26/09/57/574260957.db2.gz CDYBGQMBXPRFEE-WCBMZHEXSA-N 0 1 295.333 2.984 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC000756763968 574261288 /nfs/dbraw/zinc/26/12/88/574261288.db2.gz CDYBGQMBXPRFEE-WPRPVWTQSA-N 0 1 295.333 2.984 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)c2c1c(F)ccc2[O-] ZINC000756770519 574261858 /nfs/dbraw/zinc/26/18/58/574261858.db2.gz KYOWVMJAHNXXMB-MRBYEJRBSA-N 0 1 279.355 2.973 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ncn1 ZINC000756777367 574262294 /nfs/dbraw/zinc/26/22/94/574262294.db2.gz XDAIRUZCSREGKM-JTQLQIEISA-N 0 1 277.755 2.995 20 10 CFCDMN COc1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1C ZINC000734847347 574303949 /nfs/dbraw/zinc/30/39/49/574303949.db2.gz KEGZQWGYSATRLU-INIZCTEOSA-N 0 1 289.350 2.966 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]1CCOC1 ZINC000750820367 574357300 /nfs/dbraw/zinc/35/73/00/574357300.db2.gz PRLRGKCLFRSVAD-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086756743 598151293 /nfs/dbraw/zinc/15/12/93/598151293.db2.gz WWKXVANNSGCAAE-JTQLQIEISA-N 0 1 283.755 2.732 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000737069322 600943602 /nfs/dbraw/zinc/94/36/02/600943602.db2.gz RNKNZLNAZUBNQR-HNNXBMFYSA-N 0 1 276.380 2.582 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000086774460 601817120 /nfs/dbraw/zinc/81/71/20/601817120.db2.gz UJISWMXXHFLTFH-RISCZKNCSA-N 0 1 285.343 2.698 20 10 CFCDMN Cc1ccc(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000251175199 604679777 /nfs/dbraw/zinc/67/97/77/604679777.db2.gz SQHLLKXTWZNWOJ-SNPRPXQTSA-N 0 1 289.375 2.918 20 10 CFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000232538516 605548002 /nfs/dbraw/zinc/54/80/02/605548002.db2.gz HUEYTLJJJDSGMS-LBPRGKRZSA-N 0 1 295.354 2.854 20 10 CFCDMN O=[N+]([O-])c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000050166188 618082941 /nfs/dbraw/zinc/08/29/41/618082941.db2.gz VLBOPHHXZOSJKM-UHFFFAOYSA-N 0 1 284.315 2.820 20 10 CFCDMN COc1ccc(CN(C)Cc2ccc(C)o2)c(O)c1OC ZINC000891479243 617633020 /nfs/dbraw/zinc/63/30/20/617633020.db2.gz HFHSRSMYXVSWQV-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN COc1cc(CN2CCO[C@@H](C(C)C)C2)c(O)cc1C ZINC000777970193 617726444 /nfs/dbraw/zinc/72/64/44/617726444.db2.gz VQTUIDTYOWQCCD-MRXNPFEDSA-N 0 1 279.380 2.566 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893190 618125434 /nfs/dbraw/zinc/12/54/34/618125434.db2.gz UQZLYHXZZLNRND-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893190 618125437 /nfs/dbraw/zinc/12/54/37/618125437.db2.gz UQZLYHXZZLNRND-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](CC)CCC(=O)[O-])cc1 ZINC000077253404 618203281 /nfs/dbraw/zinc/20/32/81/618203281.db2.gz ICCJDRHKUARJPJ-UHFFFAOYSA-N 0 1 278.396 2.829 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccncc1 ZINC000076275386 618204240 /nfs/dbraw/zinc/20/42/40/618204240.db2.gz WPJGXIIQAGLOKY-UHFFFAOYSA-N 0 1 293.164 2.840 20 10 CFCDMN Cc1cc(CN(C)Cc2cc(F)cc(F)c2O)no1 ZINC000893952412 618251346 /nfs/dbraw/zinc/25/13/46/618251346.db2.gz HLNAPVPYTNCPOQ-UHFFFAOYSA-N 0 1 268.263 2.599 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000893966104 618254320 /nfs/dbraw/zinc/25/43/20/618254320.db2.gz HCIXJCSCKVXOML-JTQLQIEISA-N 0 1 293.317 2.773 20 10 CFCDMN COc1ccc(O)c(CN2CCc3nc[nH]c3C23CCC3)c1 ZINC000895069143 618255332 /nfs/dbraw/zinc/25/53/32/618255332.db2.gz RUQQAAXVQSDCMI-UHFFFAOYSA-N 0 1 299.374 2.561 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179369929 618264174 /nfs/dbraw/zinc/26/41/74/618264174.db2.gz CVOJRKCUXDUHCR-LLVKDONJSA-N 0 1 297.782 2.631 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179369929 618264175 /nfs/dbraw/zinc/26/41/75/618264175.db2.gz CVOJRKCUXDUHCR-LLVKDONJSA-N 0 1 297.782 2.631 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775500165 618271263 /nfs/dbraw/zinc/27/12/63/618271263.db2.gz YCXHPXBVPWNDNI-DGCLKSJQSA-N 0 1 268.788 2.790 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1O ZINC000148427702 618273382 /nfs/dbraw/zinc/27/33/82/618273382.db2.gz BAQSZOQGPGRKMT-UHFFFAOYSA-N 0 1 298.751 2.550 20 10 CFCDMN CC[N@@H+](CCSC)Cc1cc(F)cc(F)c1[O-] ZINC000895089407 618281082 /nfs/dbraw/zinc/28/10/82/618281082.db2.gz UQNVWYCAZIVKBI-UHFFFAOYSA-N 0 1 261.337 2.855 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000894082850 618306251 /nfs/dbraw/zinc/30/62/51/618306251.db2.gz FUAVQKHXUBJUGJ-LBPRGKRZSA-N 0 1 273.323 2.509 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCOC2)c(Cl)c1 ZINC000840878792 618330592 /nfs/dbraw/zinc/33/05/92/618330592.db2.gz IWKPAWVBPMTBAO-LLVKDONJSA-N 0 1 269.772 2.870 20 10 CFCDMN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cccc(Cl)c1O ZINC000776002983 618402872 /nfs/dbraw/zinc/40/28/72/618402872.db2.gz VZLCOVGEWXYRNJ-ZWNOBZJWSA-N 0 1 297.782 2.819 20 10 CFCDMN Cc1noc([C@@H](C)N(C)Cc2cc(F)cc(F)c2O)n1 ZINC000895188300 618450336 /nfs/dbraw/zinc/45/03/36/618450336.db2.gz LDUCXTALCHMATF-SSDOTTSWSA-N 0 1 283.278 2.555 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461034 618597166 /nfs/dbraw/zinc/59/71/66/618597166.db2.gz KPVAGVUVBGXZMK-KOLCDFICSA-N 0 1 285.359 2.855 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCOC2(CCC2)C1 ZINC000840918211 618931917 /nfs/dbraw/zinc/93/19/17/618931917.db2.gz YAFIBFSOZQPGTC-UHFFFAOYSA-N 0 1 274.408 2.816 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1O ZINC000840921036 618943177 /nfs/dbraw/zinc/94/31/77/618943177.db2.gz MFLXVONJAPPLSX-YGRLFVJLSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1O ZINC000840921036 618943178 /nfs/dbraw/zinc/94/31/78/618943178.db2.gz MFLXVONJAPPLSX-YGRLFVJLSA-N 0 1 269.772 2.557 20 10 CFCDMN C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000216045776 619083206 /nfs/dbraw/zinc/08/32/06/619083206.db2.gz MPYHJXVAISLCBG-IUCAKERBSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000925787078 619111909 /nfs/dbraw/zinc/11/19/09/619111909.db2.gz WFHNXLXOBBVZQP-DNSOKLHBSA-N 0 1 289.206 2.958 20 10 CFCDMN C[C@]1(CCCO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894779248 619463973 /nfs/dbraw/zinc/46/39/73/619463973.db2.gz DZIHJFYSCIQNKE-OAHLLOKOSA-N 0 1 285.334 2.797 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@@H]2CCCCO2)c(Cl)c1 ZINC000894798122 619469208 /nfs/dbraw/zinc/46/92/08/619469208.db2.gz YUPVEDKPCSTTFN-OAHLLOKOSA-N 0 1 299.798 2.987 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000894851321 619482233 /nfs/dbraw/zinc/48/22/33/619482233.db2.gz PQTVVJSKTVDDGG-ZDUSSCGKSA-N 0 1 297.345 2.919 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000894890221 619499403 /nfs/dbraw/zinc/49/94/03/619499403.db2.gz ZWRBXPASHLJVEH-BPLDGKMQSA-N 0 1 297.345 2.796 20 10 CFCDMN Cc1ccc(CNCc2cc(C3CC3)no2)c(O)c1 ZINC000895763712 619602097 /nfs/dbraw/zinc/60/20/97/619602097.db2.gz LMLJYGMBUYCPMP-UHFFFAOYSA-N 0 1 258.321 2.856 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780005 619608306 /nfs/dbraw/zinc/60/83/06/619608306.db2.gz ZFRBQOZLBNKYJM-AOOOYVTPSA-N 0 1 287.787 2.980 20 10 CFCDMN C[C@H](NCc1nccn1C1CC1)c1ccccc1O ZINC000895852140 619622848 /nfs/dbraw/zinc/62/28/48/619622848.db2.gz PTQSNXGIVFCSOX-NSHDSACASA-N 0 1 257.337 2.774 20 10 CFCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000897391757 620092292 /nfs/dbraw/zinc/09/22/92/620092292.db2.gz ZZUGWDBKGIYXGX-AATRIKPKSA-N 0 1 297.402 2.998 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](c2nncn2C)C(C)C)c(O)c1 ZINC000903064533 621238357 /nfs/dbraw/zinc/23/83/57/621238357.db2.gz NJQBVZISTTXUMR-SWLSCSKDSA-N 0 1 288.395 2.877 20 10 CFCDMN C[C@@H]1C[C@H](NCc2cn(C)cn2)c2c1c(F)ccc2O ZINC000903350599 621343132 /nfs/dbraw/zinc/34/31/32/621343132.db2.gz CRNSDXFAWRYCAM-SKDRFNHKSA-N 0 1 275.327 2.603 20 10 CFCDMN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000903387465 621358271 /nfs/dbraw/zinc/35/82/71/621358271.db2.gz GTBXNCURJOHITB-GWCFXTLKSA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1ccc(O)c(CN[C@@H](C)c2nnc3ccccn32)c1 ZINC000071407399 625515729 /nfs/dbraw/zinc/51/57/29/625515729.db2.gz XUXCHDIPSRCDDD-LBPRGKRZSA-N 0 1 282.347 2.594 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000905741603 621842764 /nfs/dbraw/zinc/84/27/64/621842764.db2.gz XQJHDULYFIVVKG-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000905741603 621842766 /nfs/dbraw/zinc/84/27/66/621842766.db2.gz XQJHDULYFIVVKG-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230315254 623270574 /nfs/dbraw/zinc/27/05/74/623270574.db2.gz CFXBJBKNVVQCFG-OCCSQVGLSA-N 0 1 267.756 2.703 20 10 CFCDMN C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccco1 ZINC000174530901 623426056 /nfs/dbraw/zinc/42/60/56/623426056.db2.gz KKSDBPDVXJKXEX-AWEZNQCLSA-N 0 1 281.739 2.636 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)cc1Cl ZINC000824474416 623511006 /nfs/dbraw/zinc/51/10/06/623511006.db2.gz OJOYJLTVPRMWBE-NSHDSACASA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)C2)cc1Cl ZINC000824474416 623511007 /nfs/dbraw/zinc/51/10/07/623511007.db2.gz OJOYJLTVPRMWBE-NSHDSACASA-N 0 1 269.772 2.558 20 10 CFCDMN CCN(Cc1cnc2n1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824484389 623512134 /nfs/dbraw/zinc/51/21/34/623512134.db2.gz FNKIZANEFJZQLK-UHFFFAOYSA-N 0 1 298.434 2.917 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(F)F ZINC000824637463 623536337 /nfs/dbraw/zinc/53/63/37/623536337.db2.gz XJKHIOBKELZRRV-ONGXEEELSA-N 0 1 279.714 2.540 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637179 623538095 /nfs/dbraw/zinc/53/80/95/623538095.db2.gz WMYHPICHFNNORV-WCQYABFASA-N 0 1 269.772 2.638 20 10 CFCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824714662 623549864 /nfs/dbraw/zinc/54/98/64/623549864.db2.gz DUNMJVKXWUJNKG-SQWLQELKSA-N 0 1 261.365 2.518 20 10 CFCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824714418 623550122 /nfs/dbraw/zinc/55/01/22/623550122.db2.gz DUNMJVKXWUJNKG-FMKPAKJESA-N 0 1 261.365 2.518 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000824920546 623588674 /nfs/dbraw/zinc/58/86/74/623588674.db2.gz QXQSHQZMBRBUMX-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000824920546 623588681 /nfs/dbraw/zinc/58/86/81/623588681.db2.gz QXQSHQZMBRBUMX-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000759836849 623590815 /nfs/dbraw/zinc/59/08/15/623590815.db2.gz LVZKFVLPYJQVFG-WDEREUQCSA-N 0 1 269.772 2.950 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017805 623608094 /nfs/dbraw/zinc/60/80/94/623608094.db2.gz YWDORYIRWMXAEP-UHIISALHSA-N 0 1 287.363 2.954 20 10 CFCDMN CCOc1cccc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017443 623608330 /nfs/dbraw/zinc/60/83/30/623608330.db2.gz RMMIQBPYJQJRLG-WCQYABFASA-N 0 1 287.363 2.783 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000825050513 623616832 /nfs/dbraw/zinc/61/68/32/623616832.db2.gz RQYNOWNUMCZWNV-LLVKDONJSA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCOC2)cc1Cl ZINC000825222556 623652508 /nfs/dbraw/zinc/65/25/08/623652508.db2.gz JMOHGCFREHMRKB-LLVKDONJSA-N 0 1 255.745 2.623 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H](O)C2CCC2)ccc2ccccc21 ZINC000825245489 623657388 /nfs/dbraw/zinc/65/73/88/623657388.db2.gz KJGYLLLTFDIYMQ-MRXNPFEDSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1Cl ZINC000825254330 623659433 /nfs/dbraw/zinc/65/94/33/623659433.db2.gz PVFBAOJJYYPSDR-LLVKDONJSA-N 0 1 282.815 2.926 20 10 CFCDMN CC[C@@H](O)CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297527 623665786 /nfs/dbraw/zinc/66/57/86/623665786.db2.gz HJWFZILJTWIHNW-GFCCVEGCSA-N 0 1 271.788 2.995 20 10 CFCDMN CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292608 623665989 /nfs/dbraw/zinc/66/59/89/623665989.db2.gz ZKGJVWHMBQJKPO-ZANVPECISA-N 0 1 289.828 2.556 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825365712 623680902 /nfs/dbraw/zinc/68/09/02/623680902.db2.gz LJYFQNLULVCIJE-CYBMUJFWSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@](C)(CO)C2CC2)cc1Cl ZINC000825435697 623693582 /nfs/dbraw/zinc/69/35/82/623693582.db2.gz HGYGDXAEUDQCQB-AWEZNQCLSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](C)O)cc1Cl ZINC000825483965 623701800 /nfs/dbraw/zinc/70/18/00/623701800.db2.gz GMEDJTHJWHHJMN-NXEZZACHSA-N 0 1 257.761 2.603 20 10 CFCDMN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826049348 623787297 /nfs/dbraw/zinc/78/72/97/623787297.db2.gz RBTQQNGVQWOWDF-YPMHNXCESA-N 0 1 297.782 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C2CCC2)cc1Cl ZINC000826100919 623793567 /nfs/dbraw/zinc/79/35/67/623793567.db2.gz XYKRDEGYAFBAQJ-CQSZACIVSA-N 0 1 269.772 2.605 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000826539102 623809199 /nfs/dbraw/zinc/80/91/99/623809199.db2.gz NMORDKHRGZYGTC-JQWIXIFHSA-N 0 1 292.335 2.683 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914433989 623850994 /nfs/dbraw/zinc/85/09/94/623850994.db2.gz ZDLCTMBQQZOFFP-STQMWFEESA-N 0 1 267.756 2.560 20 10 CFCDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])C1(CO)CC1 ZINC000826990999 623920029 /nfs/dbraw/zinc/92/00/29/623920029.db2.gz QKYBTUYGXGSHSM-GFCCVEGCSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc(O)c(CN2CCCNC(=O)[C@@H]2C)cc1C(C)C ZINC000788048100 624128839 /nfs/dbraw/zinc/12/88/39/624128839.db2.gz OMEMNDCFBCGUAZ-ZDUSSCGKSA-N 0 1 290.407 2.534 20 10 CFCDMN COc1ccc(N2CCCN(C/C=C\Cl)CC2)cc1 ZINC000917089740 624309394 /nfs/dbraw/zinc/30/93/94/624309394.db2.gz KEUCQGVDSSZTQC-WAPJZHGLSA-N 0 1 280.799 2.960 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](OC(C)C)C2)c1O ZINC000828850956 624313066 /nfs/dbraw/zinc/31/30/66/624313066.db2.gz UGBLORWCIPVDNS-CQSZACIVSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831527540 625041567 /nfs/dbraw/zinc/04/15/67/625041567.db2.gz GGFWLQYAYGRVQY-BMIGLBTASA-N 0 1 295.354 2.591 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831527540 625041573 /nfs/dbraw/zinc/04/15/73/625041573.db2.gz GGFWLQYAYGRVQY-BMIGLBTASA-N 0 1 295.354 2.591 20 10 CFCDMN CC(C)c1nnc([C@@H](C)N[C@H]2CCc3cccc(O)c32)[nH]1 ZINC000834698099 625791032 /nfs/dbraw/zinc/79/10/32/625791032.db2.gz WFYADUUPFYSLBN-PWSUYJOCSA-N 0 1 286.379 2.972 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCCCCO ZINC000083429373 625848097 /nfs/dbraw/zinc/84/80/97/625848097.db2.gz ZAJLGKFVGYMCFV-UHFFFAOYSA-N 0 1 257.761 2.688 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H]2CCn3ccnc32)c(O)c1 ZINC000834832877 625894470 /nfs/dbraw/zinc/89/44/70/625894470.db2.gz SJWGUBUOQGFQAP-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cc(Cl)ccc1[O-] ZINC000834888753 625910322 /nfs/dbraw/zinc/91/03/22/625910322.db2.gz BWUVKTMIGILWAN-WCQYABFASA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(F)cc(F)c1[O-] ZINC000834891959 625911806 /nfs/dbraw/zinc/91/18/06/625911806.db2.gz KPNOXIJIQPVYTB-NSNUZPRRSA-N 0 1 296.361 2.946 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834906700 625919154 /nfs/dbraw/zinc/91/91/54/625919154.db2.gz SKCKGOVAQIDCEA-OUJBWJOFSA-N 0 1 269.772 2.857 20 10 CFCDMN CN(C)c1cccc(CNCc2ccc3c(c2)CCCO3)n1 ZINC000921932241 626179750 /nfs/dbraw/zinc/17/97/50/626179750.db2.gz OWXIMUQOTOPIDG-UHFFFAOYSA-N 0 1 297.402 2.762 20 10 CFCDMN CN(C)c1cccnc1CNCc1ccc2c(c1)CCCO2 ZINC000922139809 626216330 /nfs/dbraw/zinc/21/63/30/626216330.db2.gz FFIBGVSSEIEQTI-UHFFFAOYSA-N 0 1 297.402 2.762 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccnn1C ZINC000922317745 626269156 /nfs/dbraw/zinc/26/91/56/626269156.db2.gz CTENSZXEYXUUAO-GFCCVEGCSA-N 0 1 271.364 2.596 20 10 CFCDMN CCC[C@@H](O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000922822060 626374593 /nfs/dbraw/zinc/37/45/93/626374593.db2.gz QEBFSQJUCNEOKJ-SNVBAGLBSA-N 0 1 257.761 2.686 20 10 CFCDMN Cc1cc(O)c(CNCc2cc(C3CC3)n(C)n2)cc1C ZINC000922957271 626432815 /nfs/dbraw/zinc/43/28/15/626432815.db2.gz RYYBVBNAJOWHSY-UHFFFAOYSA-N 0 1 285.391 2.910 20 10 CFCDMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1N(C)C ZINC000923248882 626459845 /nfs/dbraw/zinc/45/98/45/626459845.db2.gz MIUPGQSXUUUVRG-LRDDRELGSA-N 0 1 290.407 2.746 20 10 CFCDMN Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923250739 626459864 /nfs/dbraw/zinc/45/98/64/626459864.db2.gz TWXSXLRCNSSQLV-DOMZBBRYSA-N 0 1 290.407 2.604 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ccncc2F)c1 ZINC000838912200 626513489 /nfs/dbraw/zinc/51/34/89/626513489.db2.gz DHNTVYYGYCWDHG-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c(O)c1 ZINC000840817503 626523066 /nfs/dbraw/zinc/52/30/66/626523066.db2.gz UWNSVVKCBISFIU-NEPJUHHUSA-N 0 1 259.353 2.846 20 10 CFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])cccc1Cl ZINC000839132246 626527944 /nfs/dbraw/zinc/52/79/44/626527944.db2.gz WSRUSCCTJCPJDP-AOOOYVTPSA-N 0 1 265.740 2.742 20 10 CFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1Cl ZINC000839132246 626527945 /nfs/dbraw/zinc/52/79/45/626527945.db2.gz WSRUSCCTJCPJDP-AOOOYVTPSA-N 0 1 265.740 2.742 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2(C1)CCOCC2 ZINC000839141657 626528476 /nfs/dbraw/zinc/52/84/76/626528476.db2.gz VPZPMNVCOZSOQI-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN Cc1cc(CN[C@H](C)c2ccn(C)n2)ccc1N(C)C ZINC000839194432 626531056 /nfs/dbraw/zinc/53/10/56/626531056.db2.gz PMOUMLRTYAKNTQ-CYBMUJFWSA-N 0 1 272.396 2.645 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000758972886 626621617 /nfs/dbraw/zinc/62/16/17/626621617.db2.gz GABZRGLVDDTBBN-UHFFFAOYSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000758972886 626621619 /nfs/dbraw/zinc/62/16/19/626621619.db2.gz GABZRGLVDDTBBN-UHFFFAOYSA-N 0 1 298.386 2.943 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760036263 626710954 /nfs/dbraw/zinc/71/09/54/626710954.db2.gz FCTSIXLUDXQLBU-APPZFPTMSA-N 0 1 279.714 2.712 20 10 CFCDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(O)c1O ZINC000805261618 626955181 /nfs/dbraw/zinc/95/51/81/626955181.db2.gz HUPQNNKAUNOVQX-UHFFFAOYSA-N 0 1 297.669 2.848 20 10 CFCDMN CN(C)c1ccc(CN(Cc2cn[nH]c2)C2CC2)cc1 ZINC000768256352 627328919 /nfs/dbraw/zinc/32/89/19/627328919.db2.gz CSGLHQKALSQRTE-UHFFFAOYSA-N 0 1 270.380 2.640 20 10 CFCDMN CCOc1ccc(C[N@H+](CC)C[C@H]2CCOC2)c([O-])c1 ZINC000768521219 627349252 /nfs/dbraw/zinc/34/92/52/627349252.db2.gz NLIPHHMPXVGIRW-CYBMUJFWSA-N 0 1 279.380 2.649 20 10 CFCDMN CCOc1ccc(C[N@@H+](CC)C[C@H]2CCOC2)c([O-])c1 ZINC000768521219 627349253 /nfs/dbraw/zinc/34/92/53/627349253.db2.gz NLIPHHMPXVGIRW-CYBMUJFWSA-N 0 1 279.380 2.649 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000769421747 627436984 /nfs/dbraw/zinc/43/69/84/627436984.db2.gz ZXVNOQOZZDATKU-LLVKDONJSA-N 0 1 295.766 2.579 20 10 CFCDMN CCOc1cccc(CN(C)Cc2cnn(CC)c2)c1O ZINC000769428394 627437595 /nfs/dbraw/zinc/43/75/95/627437595.db2.gz RIDPAVDGNMGHMG-UHFFFAOYSA-N 0 1 289.379 2.639 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](COC(C)C)C2)c1 ZINC000769802016 627476045 /nfs/dbraw/zinc/47/60/45/627476045.db2.gz GGPVFWRNWXJXBQ-MRXNPFEDSA-N 0 1 293.407 2.635 20 10 CFCDMN CC[C@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000772225008 627688272 /nfs/dbraw/zinc/68/82/72/627688272.db2.gz RQOFIINXKLPKCR-CYBMUJFWSA-N 0 1 289.734 2.775 20 10 CFCDMN CC[C@H]([NH2+]CC(=O)N(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775491186 628030797 /nfs/dbraw/zinc/03/07/97/628030797.db2.gz ZKVUOYCBNWBJFL-ZDUSSCGKSA-N 0 1 298.814 2.955 20 10 CFCDMN CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775491184 628031074 /nfs/dbraw/zinc/03/10/74/628031074.db2.gz ZKVUOYCBNWBJFL-CYBMUJFWSA-N 0 1 298.814 2.955 20 10 CFCDMN CC[C@H]([NH2+]CC[S@@](=O)CC)c1cc(Cl)ccc1[O-] ZINC000775504261 628032623 /nfs/dbraw/zinc/03/26/23/628032623.db2.gz WQXZWEZIWTZDKO-SGTLLEGYSA-N 0 1 289.828 2.855 20 10 CFCDMN CC[C@H]([NH2+]CCn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775518094 628033986 /nfs/dbraw/zinc/03/39/86/628033986.db2.gz CKNBCNWXUDBIRM-ZDUSSCGKSA-N 0 1 279.771 2.983 20 10 CFCDMN COC(=O)CN(Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000775656336 628050092 /nfs/dbraw/zinc/05/00/92/628050092.db2.gz DYOSICOBBANYDQ-UHFFFAOYSA-N 0 1 289.734 2.568 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@H]1c1ncon1 ZINC000775669698 628052797 /nfs/dbraw/zinc/05/27/97/628052797.db2.gz DKYSWYCESLNGPS-NSHDSACASA-N 0 1 297.717 2.905 20 10 CFCDMN COCCN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000775674647 628053097 /nfs/dbraw/zinc/05/30/97/628053097.db2.gz HITBJBHKIZEUBZ-UHFFFAOYSA-N 0 1 297.704 2.898 20 10 CFCDMN C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775707642 628058024 /nfs/dbraw/zinc/05/80/24/628058024.db2.gz XMJQACXRXADAAF-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN COc1cc(O)c(CN2CC[C@@H](C)[C@@H](F)C2)cc1OC ZINC000777969413 628269206 /nfs/dbraw/zinc/26/92/06/628269206.db2.gz RSJWCDPOIGLHEP-PWSUYJOCSA-N 0 1 283.343 2.589 20 10 CFCDMN CC(C)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000777969137 628269219 /nfs/dbraw/zinc/26/92/19/628269219.db2.gz NZZFEVKNRRHMOF-KRWDZBQOSA-N 0 1 286.375 2.797 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000777969137 628269220 /nfs/dbraw/zinc/26/92/20/628269220.db2.gz NZZFEVKNRRHMOF-KRWDZBQOSA-N 0 1 286.375 2.797 20 10 CFCDMN COc1cc(CN2CC[C@@H](C)[C@@H](F)C2)c(O)cc1C ZINC000777969469 628269240 /nfs/dbraw/zinc/26/92/40/628269240.db2.gz SOARBLUUZGLWII-MFKMUULPSA-N 0 1 267.344 2.889 20 10 CFCDMN CCOc1cccc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000779147705 628355394 /nfs/dbraw/zinc/35/53/94/628355394.db2.gz BYYHOHMURYFMJJ-DGCLKSJQSA-N 0 1 267.344 2.971 20 10 CFCDMN COc1cccc(O)c1CN1CC[C@H](C)[C@H](F)C1 ZINC000779151353 628356438 /nfs/dbraw/zinc/35/64/38/628356438.db2.gz XHVHEOUDXMPKCV-CMPLNLGQSA-N 0 1 253.317 2.581 20 10 CFCDMN CC(C)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000779151157 628356463 /nfs/dbraw/zinc/35/64/63/628356463.db2.gz VIDVHJWNABIIAL-INIZCTEOSA-N 0 1 262.397 2.609 20 10 CFCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892912 628502939 /nfs/dbraw/zinc/50/29/39/628502939.db2.gz RDVKHTHAJLZRSE-WDEREUQCSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000783596613 628724998 /nfs/dbraw/zinc/72/49/98/628724998.db2.gz YZWSMRYYKIZAKI-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783599945 628725615 /nfs/dbraw/zinc/72/56/15/628725615.db2.gz SIBQPEMFCUGCHT-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCOCC2(CC2)C1 ZINC000783599945 628725620 /nfs/dbraw/zinc/72/56/20/628725620.db2.gz SIBQPEMFCUGCHT-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN Cc1ccc(O)c(CNCc2ncnn2-c2ccccc2)c1 ZINC000785520138 628891283 /nfs/dbraw/zinc/89/12/83/628891283.db2.gz CYFJDSVTDKKULG-UHFFFAOYSA-N 0 1 294.358 2.571 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2cc(C(N)=O)co2)c(O)c1 ZINC000788767139 629098248 /nfs/dbraw/zinc/09/82/48/629098248.db2.gz TYSQQRPNWSBOBN-NSHDSACASA-N 0 1 288.347 2.552 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000788983274 629113911 /nfs/dbraw/zinc/11/39/11/629113911.db2.gz CSGTVZFFXAPQHT-XZUYRWCXSA-N 0 1 279.355 2.830 20 10 CFCDMN O=C([O-])C1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000789898728 629195391 /nfs/dbraw/zinc/19/53/91/629195391.db2.gz ZFBSEQJIMCDHAX-UHFFFAOYSA-N 0 1 287.718 2.672 20 10 CFCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789938380 629198720 /nfs/dbraw/zinc/19/87/20/629198720.db2.gz BLHMVBQBZLGJGZ-UHFFFAOYSA-N 0 1 261.252 2.798 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790417273 629237760 /nfs/dbraw/zinc/23/77/60/629237760.db2.gz YOPKKARWUMBJEB-HNNXBMFYSA-N 0 1 293.407 2.956 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC000790638070 629254220 /nfs/dbraw/zinc/25/42/20/629254220.db2.gz SJIIDNAOLPKXCD-UHFFFAOYSA-N 0 1 291.782 2.868 20 10 CFCDMN Cc1c(CN(C)Cc2ccc(N(C)C)c(F)c2)cnn1C ZINC000790939641 629272927 /nfs/dbraw/zinc/27/29/27/629272927.db2.gz XGFBHXKPAHEHJO-UHFFFAOYSA-N 0 1 290.386 2.566 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000792168043 629404893 /nfs/dbraw/zinc/40/48/93/629404893.db2.gz ZELJMXNYHPAOLM-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN Oc1ccc2ccccc2c1CN1CCO[C@H]2C[C@H]21 ZINC000793614731 629579395 /nfs/dbraw/zinc/57/93/95/629579395.db2.gz MBHPDTJGXBLTND-ZBFHGGJFSA-N 0 1 255.317 2.519 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000794462952 629648400 /nfs/dbraw/zinc/64/84/00/629648400.db2.gz SYOVXVIDPQHWBV-VXGBXAGGSA-N 0 1 287.363 2.911 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2cc3c(cc2O)CCC3)n1 ZINC000795753077 629829972 /nfs/dbraw/zinc/82/99/72/629829972.db2.gz PIRYFFHAWCWAPH-HNNXBMFYSA-N 0 1 299.374 2.909 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840142902 631045566 /nfs/dbraw/zinc/04/55/66/631045566.db2.gz VDWHHUVJURWJAI-GOSISDBHSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840142902 631045569 /nfs/dbraw/zinc/04/55/69/631045569.db2.gz VDWHHUVJURWJAI-GOSISDBHSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000840142904 631046195 /nfs/dbraw/zinc/04/61/95/631046195.db2.gz VDWHHUVJURWJAI-SFHVURJKSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000840142904 631046200 /nfs/dbraw/zinc/04/62/00/631046200.db2.gz VDWHHUVJURWJAI-SFHVURJKSA-N 0 1 298.386 2.943 20 10 CFCDMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)c1csnn1 ZINC000840886076 631250882 /nfs/dbraw/zinc/25/08/82/631250882.db2.gz NFEREBXDXGHUKG-BQBZGAKWSA-N 0 1 285.319 2.934 20 10 CFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840891981 631254355 /nfs/dbraw/zinc/25/43/55/631254355.db2.gz WQRDJDXISKQWLZ-VHSXEESVSA-N 0 1 284.787 2.609 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N(C)C2CC2)c(Cl)c1 ZINC000840891980 631254755 /nfs/dbraw/zinc/25/47/55/631254755.db2.gz LUFAJMPNPHXAAM-LLVKDONJSA-N 0 1 282.815 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCCO)c(Cl)c1 ZINC000840905353 631257452 /nfs/dbraw/zinc/25/74/52/631257452.db2.gz RLQAFYAQEXEMSH-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN CC[C@H](O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840909397 631259057 /nfs/dbraw/zinc/25/90/57/631259057.db2.gz RKXZWJKPWPGRBU-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H](C)CO)c(Cl)c1 ZINC000840906853 631259204 /nfs/dbraw/zinc/25/92/04/631259204.db2.gz JKIUENIAAZTMSN-SNVBAGLBSA-N 0 1 271.788 2.852 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1c(O)cc(C)cc1Cl ZINC000840911769 631260929 /nfs/dbraw/zinc/26/09/29/631260929.db2.gz QCUJKYHKAGPZMV-UHFFFAOYSA-N 0 1 285.771 2.739 20 10 CFCDMN CC[N@H+](CCC(=O)OC)Cc1c([O-])cc(C)cc1Cl ZINC000840911769 631260935 /nfs/dbraw/zinc/26/09/35/631260935.db2.gz QCUJKYHKAGPZMV-UHFFFAOYSA-N 0 1 285.771 2.739 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1c([O-])cc(C)cc1Cl ZINC000840911769 631260938 /nfs/dbraw/zinc/26/09/38/631260938.db2.gz QCUJKYHKAGPZMV-UHFFFAOYSA-N 0 1 285.771 2.739 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC(C)(C)O)c(Cl)c1 ZINC000840915622 631262185 /nfs/dbraw/zinc/26/21/85/631262185.db2.gz RNLLQXXILMPOBB-UHFFFAOYSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC(C)(C)O)c(Cl)c1 ZINC000840915622 631262189 /nfs/dbraw/zinc/26/21/89/631262189.db2.gz RNLLQXXILMPOBB-UHFFFAOYSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000840914953 631262578 /nfs/dbraw/zinc/26/25/78/631262578.db2.gz WSOULJMXWQRBTA-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000840914953 631262583 /nfs/dbraw/zinc/26/25/83/631262583.db2.gz WSOULJMXWQRBTA-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000809693036 631263609 /nfs/dbraw/zinc/26/36/09/631263609.db2.gz MOJCMTXCMPDNRX-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1O ZINC000840921033 631265609 /nfs/dbraw/zinc/26/56/09/631265609.db2.gz MFLXVONJAPPLSX-HZMBPMFUSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1O ZINC000840921033 631265615 /nfs/dbraw/zinc/26/56/15/631265615.db2.gz MFLXVONJAPPLSX-HZMBPMFUSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(CO)CC2)c(Cl)c1 ZINC000840938459 631270549 /nfs/dbraw/zinc/27/05/49/631270549.db2.gz FLNMIMSKIJARPF-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(CO)CC2)c(Cl)c1 ZINC000840938459 631270553 /nfs/dbraw/zinc/27/05/53/631270553.db2.gz FLNMIMSKIJARPF-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(Cl)c1 ZINC000840938692 631270681 /nfs/dbraw/zinc/27/06/81/631270681.db2.gz QJKSUWRMVAMQGD-QWHCGFSZSA-N 0 1 269.772 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(O)CCC2)c(Cl)c1 ZINC000840943572 631275025 /nfs/dbraw/zinc/27/50/25/631275025.db2.gz UVEOUWRHCRHTCN-UHFFFAOYSA-N 0 1 269.772 2.749 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000840997583 631297863 /nfs/dbraw/zinc/29/78/63/631297863.db2.gz OQLMHPQWXZGVRP-UYWPIULCSA-N 0 1 288.391 2.562 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)NC(C)(C)C ZINC000841746892 631464562 /nfs/dbraw/zinc/46/45/62/631464562.db2.gz MCIAYEWVCIGJAH-UWVGGRQHSA-N 0 1 298.814 2.999 20 10 CFCDMN COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752236 631465268 /nfs/dbraw/zinc/46/52/68/631465268.db2.gz RRDKVHQMQKUJRE-GHMZBOCLSA-N 0 1 287.787 2.748 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757983 631467677 /nfs/dbraw/zinc/46/76/77/631467677.db2.gz QRJSIGWDIWQLOE-MRCXROJRSA-N 0 1 285.771 2.500 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000841889328 631488291 /nfs/dbraw/zinc/48/82/91/631488291.db2.gz BLHTYCJKVHOCEF-GARJFASQSA-N 0 1 294.351 2.785 20 10 CFCDMN COc1ccc(CNCc2c3c(nn2C)CCCC3)cc1C ZINC000812773281 631771020 /nfs/dbraw/zinc/77/10/20/631771020.db2.gz CPRQVHCNDKVUGU-UHFFFAOYSA-N 0 1 299.418 2.906 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1=COCC1 ZINC000813683916 631949392 /nfs/dbraw/zinc/94/93/92/631949392.db2.gz HKHOOJDRBUPHIL-UHFFFAOYSA-N 0 1 288.130 2.619 20 10 CFCDMN OCC[C@@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000843430451 631956089 /nfs/dbraw/zinc/95/60/89/631956089.db2.gz VMBPMFPKOVRXOU-OAHLLOKOSA-N 0 1 293.313 2.884 20 10 CFCDMN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000844390328 632192066 /nfs/dbraw/zinc/19/20/66/632192066.db2.gz GOUCAYWXJISVRZ-CZUORRHYSA-N 0 1 262.397 2.752 20 10 CFCDMN CCN(C)c1ccc(CN(C)Cc2cnn(C)c2C)cc1 ZINC000815103375 632202829 /nfs/dbraw/zinc/20/28/29/632202829.db2.gz PJPJZJOVCFDINV-UHFFFAOYSA-N 0 1 286.423 2.817 20 10 CFCDMN CCc1nocc1CNCc1ccc(N(C)C)cc1 ZINC000815115147 632204163 /nfs/dbraw/zinc/20/41/63/632204163.db2.gz XGQVPRLRJIXTFD-UHFFFAOYSA-N 0 1 259.353 2.593 20 10 CFCDMN Oc1cc2c(cc1CNc1cc3c(cn1)CCC3)OCO2 ZINC000815159199 632220190 /nfs/dbraw/zinc/22/01/90/632220190.db2.gz LXROOKIRCPRKLQ-UHFFFAOYSA-N 0 1 284.315 2.617 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000844937879 632341998 /nfs/dbraw/zinc/34/19/98/632341998.db2.gz ZDUXWPULPKKUND-RDDDGLTNSA-N 0 1 287.718 2.622 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000844937879 632342002 /nfs/dbraw/zinc/34/20/02/632342002.db2.gz ZDUXWPULPKKUND-RDDDGLTNSA-N 0 1 287.718 2.622 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000844937879 632342006 /nfs/dbraw/zinc/34/20/06/632342006.db2.gz ZDUXWPULPKKUND-RDDDGLTNSA-N 0 1 287.718 2.622 20 10 CFCDMN CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000816504250 632473886 /nfs/dbraw/zinc/47/38/86/632473886.db2.gz FMSRHPUWUFUBQD-LBPRGKRZSA-N 0 1 298.789 2.853 20 10 CFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816516362 632476991 /nfs/dbraw/zinc/47/69/91/632476991.db2.gz CLUDEFNXQSDLGI-MLGOLLRUSA-N 0 1 299.370 2.786 20 10 CFCDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816516362 632476992 /nfs/dbraw/zinc/47/69/92/632476992.db2.gz CLUDEFNXQSDLGI-MLGOLLRUSA-N 0 1 299.370 2.786 20 10 CFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000816516362 632476995 /nfs/dbraw/zinc/47/69/95/632476995.db2.gz CLUDEFNXQSDLGI-MLGOLLRUSA-N 0 1 299.370 2.786 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816517202 632477236 /nfs/dbraw/zinc/47/72/36/632477236.db2.gz IEJXZUGSSJCDCQ-SFHVURJKSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816517202 632477238 /nfs/dbraw/zinc/47/72/38/632477238.db2.gz IEJXZUGSSJCDCQ-SFHVURJKSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816517202 632477241 /nfs/dbraw/zinc/47/72/41/632477241.db2.gz IEJXZUGSSJCDCQ-SFHVURJKSA-N 0 1 299.370 2.930 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H]2CCCO2)ccc2ccccc21 ZINC000816529334 632479232 /nfs/dbraw/zinc/47/92/32/632479232.db2.gz PBQNPDOITZJHMC-CQSZACIVSA-N 0 1 257.333 2.814 20 10 CFCDMN O=C(C[NH2+]Cc1ccc2ccccc2c1[O-])NC1CCCC1 ZINC000816547327 632481681 /nfs/dbraw/zinc/48/16/81/632481681.db2.gz SLYSVKGUHRVISB-UHFFFAOYSA-N 0 1 298.386 2.694 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CC[C@H](O)CC2)ccc2ccccc21 ZINC000816559134 632484394 /nfs/dbraw/zinc/48/43/94/632484394.db2.gz ZCMKJPZIBHUQRZ-SHTZXODSSA-N 0 1 271.360 2.939 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042980 632622424 /nfs/dbraw/zinc/62/24/24/632622424.db2.gz QKYJPELJMWWKOK-MRXNPFEDSA-N 0 1 279.355 2.826 20 10 CFCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412111 632624296 /nfs/dbraw/zinc/62/42/96/632624296.db2.gz CZCPZPAHNAZUOX-ZJUUUORDSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000817413901 632625823 /nfs/dbraw/zinc/62/58/23/632625823.db2.gz DIFCIKVHAKIRIR-SCZZXKLOSA-N 0 1 273.735 2.530 20 10 CFCDMN CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[N@H+]1C ZINC000817417127 632627378 /nfs/dbraw/zinc/62/73/78/632627378.db2.gz DQTVFPJPCILFIK-LLVKDONJSA-N 0 1 286.778 2.711 20 10 CFCDMN COc1cccc([C@@H](C)NCc2ncccc2OC)c1O ZINC000846168464 632652126 /nfs/dbraw/zinc/65/21/26/632652126.db2.gz JIMCVQINXVOHBQ-LLVKDONJSA-N 0 1 288.347 2.655 20 10 CFCDMN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000846215099 632663237 /nfs/dbraw/zinc/66/32/37/632663237.db2.gz XLCLGQIPSIFKEP-NHYWBVRUSA-N 0 1 299.798 2.628 20 10 CFCDMN C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944963 632747742 /nfs/dbraw/zinc/74/77/42/632747742.db2.gz QFSFTPURNLAFCO-SFYZADRCSA-N 0 1 275.179 2.712 20 10 CFCDMN CC[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817952562 632752782 /nfs/dbraw/zinc/75/27/82/632752782.db2.gz FWFYFBPGWGDVRS-GWCFXTLKSA-N 0 1 268.788 2.838 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](C)c1nccc(N)n1 ZINC000846810642 632806720 /nfs/dbraw/zinc/80/67/20/632806720.db2.gz ZDKGLRMAHSDYFC-GFCCVEGCSA-N 0 1 286.379 2.738 20 10 CFCDMN CCc1cccc(CN2CCCCC[C@H]2C(=O)OC)c1O ZINC000848902836 633388951 /nfs/dbraw/zinc/38/89/51/633388951.db2.gz UTYWKNKZPNJWME-HNNXBMFYSA-N 0 1 291.391 2.872 20 10 CFCDMN CCc1cccc(CN2CCc3ncsc3C2)c1O ZINC000848905669 633392819 /nfs/dbraw/zinc/39/28/19/633392819.db2.gz MIBHZDFTACOYBY-UHFFFAOYSA-N 0 1 274.389 2.969 20 10 CFCDMN CN(C)c1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000848921956 633403734 /nfs/dbraw/zinc/40/37/34/633403734.db2.gz KKQLOYCLXHOJRO-UHFFFAOYSA-N 0 1 252.308 2.594 20 10 CFCDMN Cc1noc([C@H](C)N(C)Cc2cccc(Cl)c2O)n1 ZINC000848926036 633408795 /nfs/dbraw/zinc/40/87/95/633408795.db2.gz PZFAICAKTRIAPA-QMMMGPOBSA-N 0 1 281.743 2.930 20 10 CFCDMN C[C@H](O)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000848928431 633411232 /nfs/dbraw/zinc/41/12/32/633411232.db2.gz DANUQZCKVAYMDH-QMMMGPOBSA-N 0 1 273.735 2.530 20 10 CFCDMN COc1ccnc(CNCc2cc(C)ccc2O)c1F ZINC000850380087 633967585 /nfs/dbraw/zinc/96/75/85/633967585.db2.gz BCESCCKGXQGJJK-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN Cc1ccc(O)c(CN[C@H](CO)c2ccc(F)cc2F)c1 ZINC000850410745 633981874 /nfs/dbraw/zinc/98/18/74/633981874.db2.gz VDZQJOXTRCHOJX-OAHLLOKOSA-N 0 1 293.313 2.802 20 10 CFCDMN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1nccn1C ZINC000850409811 633982220 /nfs/dbraw/zinc/98/22/20/633982220.db2.gz HINOWZXRJOCNIT-GXMNPTEKSA-N 0 1 284.407 2.850 20 10 CFCDMN CC[C@H]([NH2+]CCN(C)OC)c1cc(Cl)ccc1[O-] ZINC000850479305 634010297 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C[N@@H+](CCc1nccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876790494 643011182 /nfs/dbraw/zinc/01/11/82/643011182.db2.gz KMALANIFFDJDPW-UHFFFAOYSA-N 0 1 284.331 2.801 20 10 CFCDMN Cc1cccc(O)c1CNCc1nccn1CC(F)(F)F ZINC000877004752 643101368 /nfs/dbraw/zinc/10/13/68/643101368.db2.gz QOHGPKUACIDXSE-UHFFFAOYSA-N 0 1 299.296 2.749 20 10 CFCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000877139696 643173632 /nfs/dbraw/zinc/17/36/32/643173632.db2.gz WSVKKCCUQDFDMR-YPMHNXCESA-N 0 1 299.361 2.899 20 10 CFCDMN Cc1ccc(CN2CCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000877344107 643244460 /nfs/dbraw/zinc/24/44/60/643244460.db2.gz DUXOKMDWSNILDH-CYBMUJFWSA-N 0 1 257.337 2.761 20 10 CFCDMN C[C@@H]1CSCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877475558 643293056 /nfs/dbraw/zinc/29/30/56/643293056.db2.gz SPODRTBYKVPZRM-VIFPVBQESA-N 0 1 273.348 2.855 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2c(C)cccc2O)n1 ZINC000877524138 643328134 /nfs/dbraw/zinc/32/81/34/643328134.db2.gz SCYDCMNFBIZXCO-ZDUSSCGKSA-N 0 1 273.336 2.729 20 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KYTWHIMVTTZHFB-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN Cc1ccc(CN2CCOc3ccc(O)cc3C2)c(O)c1 ZINC000877637156 643421637 /nfs/dbraw/zinc/42/16/37/643421637.db2.gz OOUMWNRDCFHXED-UHFFFAOYSA-N 0 1 285.343 2.801 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CN2CCC1CC2 ZINC000877706247 643473859 /nfs/dbraw/zinc/47/38/59/643473859.db2.gz ITWHECXCHBJVBN-CQSZACIVSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1cccc2c1C(=O)N[C@H](c1ccc(F)c(F)c1O)N2 ZINC000877848616 643607415 /nfs/dbraw/zinc/60/74/15/643607415.db2.gz UTNFWJLBNUNDIB-CQSZACIVSA-N 0 1 290.269 2.833 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000092486737 650921182 /nfs/dbraw/zinc/92/11/82/650921182.db2.gz YADMTBDGBFZXIE-BBRMVZONSA-N 0 1 262.397 2.752 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611809 650943746 /nfs/dbraw/zinc/94/37/46/650943746.db2.gz LRJKPJRTIWZSNV-NSHDSACASA-N 0 1 295.688 2.545 20 10 CFCDMN Oc1ccc(Cl)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611809 650943747 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646411890 /nfs/dbraw/zinc/41/18/90/646411890.db2.gz CTWTUXVLVBVIND-SCZZXKLOSA-N 0 1 286.169 2.594 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000302643342 647412404 /nfs/dbraw/zinc/41/24/04/647412404.db2.gz WRIQTKLUPXSWHI-QWRGUYRKSA-N 0 1 269.772 2.686 20 10 CFCDMN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cc(N)ccn2)cc1 ZINC000925772567 648316006 /nfs/dbraw/zinc/31/60/06/648316006.db2.gz UFECLLUJSWQRIK-CYBMUJFWSA-N 0 1 284.407 2.971 20 10 CFCDMN CCCC[N@@H+](CCO[C@H]1CCOC1)Cc1ccccc1O ZINC000930350418 649235927 /nfs/dbraw/zinc/23/59/27/649235927.db2.gz HNUXETVOSWXFMM-INIZCTEOSA-N 0 1 293.407 2.800 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+](CCCCO)C1CC1 ZINC000305770423 651077253 /nfs/dbraw/zinc/07/72/53/651077253.db2.gz JRGPKMBGWNDZJU-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOC1CCC1 ZINC000690692009 769833291 /nfs/dbraw/zinc/83/32/91/769833291.db2.gz GEQOQNIPAPVYIK-UHFFFAOYSA-N 0 1 255.745 2.704 20 10 CFCDMN CC(=O)OC(C)(C)CCC[N@H+](C)Cc1ccccc1O ZINC001209155173 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10 CFCDMN COCC[N@@H+](Cc1ccc(OC)c(Cl)c1[O-])C(C)C ZINC001236813729 778950090 /nfs/dbraw/zinc/95/00/90/778950090.db2.gz PEFFWBANNGBDGR-UHFFFAOYSA-N 0 1 287.787 2.911 20 10 CFCDMN CN(Cc1cccc(CF)n1)Cc1ccccc1O ZINC001232539855 778951845 /nfs/dbraw/zinc/95/18/45/778951845.db2.gz RREOOTKMRYHEIZ-UHFFFAOYSA-N 0 1 260.312 2.889 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826503 778954715 /nfs/dbraw/zinc/95/47/15/778954715.db2.gz LKRDTKJKWQEWQS-OAHLLOKOSA-N 0 1 257.333 2.766 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826502 778955509 /nfs/dbraw/zinc/95/55/09/778955509.db2.gz LKRDTKJKWQEWQS-HNNXBMFYSA-N 0 1 257.333 2.766 20 10 CFCDMN Oc1cc2ccccc2cc1C[N@H+]1CCOC2(CC2)C1 ZINC001236835241 778959940 /nfs/dbraw/zinc/95/99/40/778959940.db2.gz FMFQIXMKNYJCLZ-UHFFFAOYSA-N 0 1 269.344 2.910 20 10 CFCDMN CCOc1ccc(C[N@@H+](CC)C2CCOCC2)c(O)c1 ZINC001237041446 778995722 /nfs/dbraw/zinc/99/57/22/778995722.db2.gz JRVKDBYIVHPZRB-UHFFFAOYSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOc1ccc(C[N@H+](CC)C2CCOCC2)c([O-])c1 ZINC001237041446 778995734 /nfs/dbraw/zinc/99/57/34/778995734.db2.gz JRVKDBYIVHPZRB-UHFFFAOYSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOc1ccc(C[N@@H+](CC)C2CCOCC2)c([O-])c1 ZINC001237041446 778995741 /nfs/dbraw/zinc/99/57/41/778995741.db2.gz JRVKDBYIVHPZRB-UHFFFAOYSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOc1ccc(CN2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001237045827 778997264 /nfs/dbraw/zinc/99/72/64/778997264.db2.gz VONSIXIVYSFLSZ-LBPRGKRZSA-N 0 1 277.364 2.592 20 10 CFCDMN CO[C@H]1CN(Cc2ccc(C(C)C)cc2O)C[C@@H]1F ZINC001237046270 778998253 /nfs/dbraw/zinc/99/82/53/778998253.db2.gz SHCLPJVNMHCCGH-ZFWWWQNUSA-N 0 1 267.344 2.684 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@H]1CO ZINC001237078877 779007347 /nfs/dbraw/zinc/00/73/47/779007347.db2.gz ZEKVLPHVXGDHGR-QMMMGPOBSA-N 0 1 276.163 2.656 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237050599 779001073 /nfs/dbraw/zinc/00/10/73/779001073.db2.gz SALQRQHQSMJEBF-GUYCJALGSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237050599 779001077 /nfs/dbraw/zinc/00/10/77/779001077.db2.gz SALQRQHQSMJEBF-GUYCJALGSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237050599 779001086 /nfs/dbraw/zinc/00/10/86/779001086.db2.gz SALQRQHQSMJEBF-GUYCJALGSA-N 0 1 293.407 2.774 20 10 CFCDMN COc1cc(O)c(CN2CC[C@H]2C)c(Br)c1 ZINC001237066321 779003572 /nfs/dbraw/zinc/00/35/72/779003572.db2.gz VMRIOMSKOOSBDW-MRVPVSSYSA-N 0 1 286.169 2.758 20 10 CFCDMN CO[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114663 779015056 /nfs/dbraw/zinc/01/50/56/779015056.db2.gz CFCILXMTLPVXEG-SECBINFHSA-N 0 1 291.269 2.512 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)CCC[C@@H]1O ZINC001237121491 779017569 /nfs/dbraw/zinc/01/75/69/779017569.db2.gz OMEJPMWDKIKTGK-CABZTGNLSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC[C@@H]1O ZINC001237121491 779017576 /nfs/dbraw/zinc/01/75/76/779017576.db2.gz OMEJPMWDKIKTGK-CABZTGNLSA-N 0 1 287.762 2.778 20 10 CFCDMN COC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237119717 779017906 /nfs/dbraw/zinc/01/79/06/779017906.db2.gz FBVVQEOWPNZHBQ-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)CCC[C@@H]1O ZINC001237121493 779018235 /nfs/dbraw/zinc/01/82/35/779018235.db2.gz OMEJPMWDKIKTGK-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC[C@@H]1O ZINC001237121493 779018238 /nfs/dbraw/zinc/01/82/38/779018238.db2.gz OMEJPMWDKIKTGK-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@]1(O)CCCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122702 779019668 /nfs/dbraw/zinc/01/96/68/779019668.db2.gz WXPLYRMZHHZIFL-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@]1(O)CCCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122702 779019675 /nfs/dbraw/zinc/01/96/75/779019675.db2.gz WXPLYRMZHHZIFL-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CCCC2(COC2)C1 ZINC001237125251 779019931 /nfs/dbraw/zinc/01/99/31/779019931.db2.gz XBJFOWRGXUQBOK-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCC2(COC2)C1 ZINC001237125251 779019934 /nfs/dbraw/zinc/01/99/34/779019934.db2.gz XBJFOWRGXUQBOK-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCC2(COC2)C1 ZINC001237125251 779019938 /nfs/dbraw/zinc/01/99/38/779019938.db2.gz XBJFOWRGXUQBOK-UHFFFAOYSA-N 0 1 285.746 2.797 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237126078 779021243 /nfs/dbraw/zinc/02/12/43/779021243.db2.gz IAFZHADZSRGFTK-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237126078 779021249 /nfs/dbraw/zinc/02/12/49/779021249.db2.gz IAFZHADZSRGFTK-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN CCN(CC[NH+](CC)CC)Cc1c([O-])ccc(F)c1F ZINC001233334755 779034244 /nfs/dbraw/zinc/03/42/44/779034244.db2.gz SAMHYCFWGVEDAS-UHFFFAOYSA-N 0 1 286.366 2.834 20 10 CFCDMN C[C@@H]1CN(Cc2ccccc2O)C[C@](C)(C(F)F)O1 ZINC000698928465 779102150 /nfs/dbraw/zinc/10/21/50/779102150.db2.gz LFOBBTOKSHPPEW-QMTHXVAHSA-N 0 1 271.307 2.637 20 10 CFCDMN CCc1ncnc2c1CC[N@@H+](Cc1c(C)cccc1O)CC2 ZINC001237488561 779119377 /nfs/dbraw/zinc/11/93/77/779119377.db2.gz NSGYNKWYBAFKSP-UHFFFAOYSA-N 0 1 297.402 2.654 20 10 CFCDMN Cc1cccc(O)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001237493502 779119923 /nfs/dbraw/zinc/11/99/23/779119923.db2.gz YIQZARVHJSRYEW-KRWDZBQOSA-N 0 1 284.359 2.669 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237616872 779144803 /nfs/dbraw/zinc/14/48/03/779144803.db2.gz IXBIUEIPNWSGEJ-AOOOYVTPSA-N 0 1 265.662 2.677 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622601 779147253 /nfs/dbraw/zinc/14/72/53/779147253.db2.gz VGASCDIKHLAZTF-KCJUWKMLSA-N 0 1 273.735 2.530 20 10 CFCDMN COc1cc(CN2CC3(C2)CC(F)(F)C3)c(O)c(OC)c1 ZINC001237674422 779158504 /nfs/dbraw/zinc/15/85/04/779158504.db2.gz GXFNBCVHSJZCQJ-UHFFFAOYSA-N 0 1 299.317 2.641 20 10 CFCDMN C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804765 779183375 /nfs/dbraw/zinc/18/33/75/779183375.db2.gz FWSQZNDNOJFISI-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)CCCC1=O ZINC001237807935 779184131 /nfs/dbraw/zinc/18/41/31/779184131.db2.gz OOBCOFSYHSDKBC-SECBINFHSA-N 0 1 285.746 2.986 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@H]1O ZINC001237807780 779184476 /nfs/dbraw/zinc/18/44/76/779184476.db2.gz LYGBRXBWXVPRDR-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001237807984 779184877 /nfs/dbraw/zinc/18/48/77/779184877.db2.gz PGNHDNSEFDNTAG-AWEZNQCLSA-N 0 1 285.746 2.797 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(F)c(Cl)cc2O)C[C@H]1C ZINC001237945260 779213508 /nfs/dbraw/zinc/21/35/08/779213508.db2.gz XJHBDNUDRPOIDC-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[N@@H+]1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1C ZINC001237945260 779213510 /nfs/dbraw/zinc/21/35/10/779213510.db2.gz XJHBDNUDRPOIDC-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1C ZINC001237945260 779213515 /nfs/dbraw/zinc/21/35/15/779213515.db2.gz XJHBDNUDRPOIDC-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN Cc1cc(F)cc(CN2CCc3cnccc3C2)c1O ZINC001238059014 779240865 /nfs/dbraw/zinc/24/08/65/779240865.db2.gz XQMZHGJZONCZFF-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN Cc1cc(F)cc(C[N@H+]2CCC[C@]23CCOC3)c1O ZINC001238071390 779247310 /nfs/dbraw/zinc/24/73/10/779247310.db2.gz WKMGFVHSNMWXFK-OAHLLOKOSA-N 0 1 265.328 2.595 20 10 CFCDMN CC[C@@H]1C[NH2+]CCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001235773520 779374826 /nfs/dbraw/zinc/37/48/26/779374826.db2.gz NZUHNOKASPBMHE-LLVKDONJSA-N 0 1 288.313 2.595 20 10 CFCDMN C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(Cl)cc1O ZINC001236799264 779640048 /nfs/dbraw/zinc/64/00/48/779640048.db2.gz NAORXUQATRUWNU-UWVGGRQHSA-N 0 1 287.190 2.587 20 10 CFCDMN C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799264 779640050 /nfs/dbraw/zinc/64/00/50/779640050.db2.gz NAORXUQATRUWNU-UWVGGRQHSA-N 0 1 287.190 2.587 20 10 CFCDMN C[C@@H]1OCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000765101163 779879137 /nfs/dbraw/zinc/87/91/37/779879137.db2.gz WTSWZBHAAXMZII-RYUDHWBXSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@H]1OCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000765101163 779879141 /nfs/dbraw/zinc/87/91/41/779879141.db2.gz WTSWZBHAAXMZII-RYUDHWBXSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@H]1OCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000765101163 779879148 /nfs/dbraw/zinc/87/91/48/779879148.db2.gz WTSWZBHAAXMZII-RYUDHWBXSA-N 0 1 272.348 2.550 20 10 CFCDMN OCCc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000703262752 781001066 /nfs/dbraw/zinc/00/10/66/781001066.db2.gz RCCMHDJLKXHNQS-UHFFFAOYSA-N 0 1 279.286 2.817 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000703539419 781025909 /nfs/dbraw/zinc/02/59/09/781025909.db2.gz BLODUSIKVIQQOJ-GXSJLCMTSA-N 0 1 271.307 2.670 20 10 CFCDMN Cn1ccc2c1cccc2-c1nc(F)nc2nc[nH]c21 ZINC001241819901 781143254 /nfs/dbraw/zinc/14/32/54/781143254.db2.gz XFLWKAFERNRNOC-UHFFFAOYSA-N 0 1 267.267 2.602 20 10 CFCDMN C[C@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706829982 781204741 /nfs/dbraw/zinc/20/47/41/781204741.db2.gz JJPWFMQXSWRSNY-IUCAKERBSA-N 0 1 270.170 2.900 20 10 CFCDMN CO[C@H](C)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706883736 781212441 /nfs/dbraw/zinc/21/24/41/781212441.db2.gz YLYJTJOUWXSUMY-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000707542749 781256046 /nfs/dbraw/zinc/25/60/46/781256046.db2.gz AYUJLGZIEOIUOX-SGMGOOAPSA-N 0 1 271.360 2.967 20 10 CFCDMN C[C@H]1N(Cc2cc(F)ccc2O)CCOC1(C)C ZINC000708257045 781268647 /nfs/dbraw/zinc/26/86/47/781268647.db2.gz IZYHCIZKDWDZDZ-SNVBAGLBSA-N 0 1 253.317 2.531 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708413669 781273199 /nfs/dbraw/zinc/27/31/99/781273199.db2.gz MPSIQCXZRNABBI-ZANVPECISA-N 0 1 271.307 2.527 20 10 CFCDMN CCCN1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708557801 781294131 /nfs/dbraw/zinc/29/41/31/781294131.db2.gz AZTCWNBWFIYFTD-UHFFFAOYSA-N 0 1 284.350 2.634 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC1CCC1 ZINC000709832650 781319044 /nfs/dbraw/zinc/31/90/44/781319044.db2.gz UFFZHURRMSNVHC-UHFFFAOYSA-N 0 1 255.745 2.704 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)O ZINC000093414582 347673200 /nfs/dbraw/zinc/67/32/00/347673200.db2.gz HVIIZBGPQSWEMH-UHFFFAOYSA-N 0 1 278.179 2.902 20 10 CFCDMN CO[C@H](C)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000263812438 348317367 /nfs/dbraw/zinc/31/73/67/348317367.db2.gz NOFOOEYHIDRDCN-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1O ZINC000184920528 283112542 /nfs/dbraw/zinc/11/25/42/283112542.db2.gz OFKSTTYVVWUILL-UHFFFAOYSA-N 0 1 299.754 2.545 20 10 CFCDMN COCCN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000092561345 375123138 /nfs/dbraw/zinc/12/31/38/375123138.db2.gz OIJVHUARBMZWJM-UHFFFAOYSA-N 0 1 288.391 2.994 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820272 375317054 /nfs/dbraw/zinc/31/70/54/375317054.db2.gz WMCONLAELMOCLB-CQSZACIVSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820272 375317055 /nfs/dbraw/zinc/31/70/55/375317055.db2.gz WMCONLAELMOCLB-CQSZACIVSA-N 0 1 267.756 2.658 20 10 CFCDMN CC[C@H](C)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342583 376010990 /nfs/dbraw/zinc/01/09/90/376010990.db2.gz PSROQCBUXBBGDT-ZANVPECISA-N 0 1 257.761 2.542 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000127720549 377299478 /nfs/dbraw/zinc/29/94/78/377299478.db2.gz RDPQMNQEQLGGIK-GHMZBOCLSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000127720549 377299482 /nfs/dbraw/zinc/29/94/82/377299482.db2.gz RDPQMNQEQLGGIK-GHMZBOCLSA-N 0 1 269.772 2.781 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)C)C1=O ZINC000175284058 380038235 /nfs/dbraw/zinc/03/82/35/380038235.db2.gz ZGLCEDDBLBMZGE-OAHLLOKOSA-N 0 1 290.407 2.614 20 10 CFCDMN CC(C)n1cc(CN(C)Cc2ccccc2O)cn1 ZINC000179804044 380581333 /nfs/dbraw/zinc/58/13/33/380581333.db2.gz LAJIWIIIPCLZBA-UHFFFAOYSA-N 0 1 259.353 2.802 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccnc2)c1[O-] ZINC000181647326 380852173 /nfs/dbraw/zinc/85/21/73/380852173.db2.gz QHUUGFUOCUJILY-SNVBAGLBSA-N 0 1 288.322 2.980 20 10 CFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1O ZINC000296040728 381225385 /nfs/dbraw/zinc/22/53/85/381225385.db2.gz UHGJTPYKBZVVBZ-FUDCBSFHSA-N 0 1 260.381 2.668 20 10 CFCDMN C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000296345341 381354761 /nfs/dbraw/zinc/35/47/61/381354761.db2.gz IBDMYBXTWJKWLV-MNOVXSKESA-N 0 1 255.333 2.591 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCOC2)c1O ZINC000184701230 381462983 /nfs/dbraw/zinc/46/29/83/381462983.db2.gz PFNAGVVCXGATGN-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000184701230 381462986 /nfs/dbraw/zinc/46/29/86/381462986.db2.gz PFNAGVVCXGATGN-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000184701230 381462990 /nfs/dbraw/zinc/46/29/90/381462990.db2.gz PFNAGVVCXGATGN-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000184701017 381463013 /nfs/dbraw/zinc/46/30/13/381463013.db2.gz BBYCEUFRCXIQHF-OAHLLOKOSA-N 0 1 297.782 2.667 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)n[nH]1 ZINC000186131679 381830250 /nfs/dbraw/zinc/83/02/50/381830250.db2.gz ZBPPQMHBZPDLPM-GXSJLCMTSA-N 0 1 277.343 2.845 20 10 CFCDMN COC[C@@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186202936 381851240 /nfs/dbraw/zinc/85/12/40/381851240.db2.gz VMZQLPDEALUILE-OCCSQVGLSA-N 0 1 289.375 2.593 20 10 CFCDMN C[C@@H]1[N@@H+](Cc2ccccc2O)CCC12CCOCC2 ZINC000375240468 382074304 /nfs/dbraw/zinc/07/43/04/382074304.db2.gz XIAUKKUOYITJNK-ZDUSSCGKSA-N 0 1 261.365 2.783 20 10 CFCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000376536027 382140745 /nfs/dbraw/zinc/14/07/45/382140745.db2.gz SKLTUMQUKGLERH-AWEZNQCLSA-N 0 1 289.354 2.774 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000377236949 382240335 /nfs/dbraw/zinc/24/03/35/382240335.db2.gz GWXLGRCVXJWKNJ-ZFWWWQNUSA-N 0 1 291.391 2.649 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CF)c1[O-] ZINC000293837409 382299779 /nfs/dbraw/zinc/29/97/79/382299779.db2.gz AXBGMPLRGPBKLH-JTQLQIEISA-N 0 1 288.706 2.888 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2CF)c1[O-] ZINC000293837409 382299783 /nfs/dbraw/zinc/29/97/83/382299783.db2.gz AXBGMPLRGPBKLH-JTQLQIEISA-N 0 1 288.706 2.888 20 10 CFCDMN COc1ccc(O)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294093426 382412610 /nfs/dbraw/zinc/41/26/10/382412610.db2.gz RPAAVFKDXSZMAI-SJORKVTESA-N 0 1 289.375 2.544 20 10 CFCDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000378443371 382461705 /nfs/dbraw/zinc/46/17/05/382461705.db2.gz MVVFPURIKKIZEP-LLVKDONJSA-N 0 1 297.782 2.677 20 10 CFCDMN CC[C@H](N[C@H](C)c1ncnn1C)c1ccc(C)cc1O ZINC000280119702 384889685 /nfs/dbraw/zinc/88/96/85/384889685.db2.gz OFAPJBKVHRGXFP-YPMHNXCESA-N 0 1 274.368 2.631 20 10 CFCDMN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000282190123 385242268 /nfs/dbraw/zinc/24/22/68/385242268.db2.gz GFNHIRVQYTUDAN-DYBLOJMWSA-N 0 1 287.812 2.607 20 10 CFCDMN Cc1cccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000271751026 385390090 /nfs/dbraw/zinc/39/00/90/385390090.db2.gz VIGGXKVFJCYMGW-AAEUAGOBSA-N 0 1 289.297 2.588 20 10 CFCDMN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000285365394 385555198 /nfs/dbraw/zinc/55/51/98/385555198.db2.gz BTLRJAPGHKBEMW-GHMZBOCLSA-N 0 1 269.772 2.808 20 10 CFCDMN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273433879 385683129 /nfs/dbraw/zinc/68/31/29/385683129.db2.gz WJIHZPQHJSNTQA-JTQLQIEISA-N 0 1 279.771 2.672 20 10 CFCDMN COCCN(Cc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000287251366 385812756 /nfs/dbraw/zinc/81/27/56/385812756.db2.gz GXYAXIPTTMBVRW-UHFFFAOYSA-N 0 1 299.418 2.796 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278334941 394060534 /nfs/dbraw/zinc/06/05/34/394060534.db2.gz ZTQWVKYLHXEYFM-QWRGUYRKSA-N 0 1 294.351 2.929 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000157067068 394341367 /nfs/dbraw/zinc/34/13/67/394341367.db2.gz TXOHFIARHQRJCP-QGZVFWFLSA-N 0 1 298.386 2.831 20 10 CFCDMN CN(C)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000020146126 171032190 /nfs/dbraw/zinc/03/21/90/171032190.db2.gz VPOWTWCVKWLUQB-UHFFFAOYSA-N 0 1 285.347 2.951 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000035601848 172291050 /nfs/dbraw/zinc/29/10/50/172291050.db2.gz RIDWLYATIWLBQZ-GZMMTYOYSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185193946 262045405 /nfs/dbraw/zinc/04/54/05/262045405.db2.gz HWSULCNWEHKQGY-SNVBAGLBSA-N 0 1 284.787 2.565 20 10 CFCDMN CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000294214242 265002292 /nfs/dbraw/zinc/00/22/92/265002292.db2.gz YLCNDZLZUDWVGW-INIZCTEOSA-N 0 1 263.381 2.623 20 10 CFCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294214242 265002293 /nfs/dbraw/zinc/00/22/93/265002293.db2.gz YLCNDZLZUDWVGW-INIZCTEOSA-N 0 1 263.381 2.623 20 10 CFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC[C@@H](CO)C1 ZINC000377548878 288166331 /nfs/dbraw/zinc/16/63/31/288166331.db2.gz IYMAEEYASSBIKJ-UKRRQHHQSA-N 0 1 263.381 2.938 20 10 CFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCCC[C@@H](CO)C1 ZINC000377548878 288166337 /nfs/dbraw/zinc/16/63/37/288166337.db2.gz IYMAEEYASSBIKJ-UKRRQHHQSA-N 0 1 263.381 2.938 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)N(C)C ZINC000036794267 289994744 /nfs/dbraw/zinc/99/47/44/289994744.db2.gz OFIXWJPTTWRCFC-RYUDHWBXSA-N 0 1 286.375 2.673 20 10 CFCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000527793367 330283711 /nfs/dbraw/zinc/28/37/11/330283711.db2.gz JBZMBMFGYNGECP-UHFFFAOYSA-N 0 1 292.766 2.782 20 10 CFCDMN CC[N@H+]1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000289832427 521688528 /nfs/dbraw/zinc/68/85/28/521688528.db2.gz UJCIGRCIPXVKSS-NSHDSACASA-N 0 1 268.788 2.572 20 10 CFCDMN CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278314688 520422151 /nfs/dbraw/zinc/42/21/51/520422151.db2.gz XIEISTOZHXYOMZ-UHFFFAOYSA-N 0 1 268.313 2.541 20 10 CFCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000281024413 521140554 /nfs/dbraw/zinc/14/05/54/521140554.db2.gz MOABIYLKDBKXBE-WZRBSPASSA-N 0 1 295.354 2.914 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278214598 521870093 /nfs/dbraw/zinc/87/00/93/521870093.db2.gz KNYLJOFEOOFUJA-JTQLQIEISA-N 0 1 280.324 2.683 20 10 CFCDMN CC[C@H](C)c1nnc([C@@H](C)NCc2ccccc2O)[nH]1 ZINC000277386270 522054522 /nfs/dbraw/zinc/05/45/22/522054522.db2.gz JBOSYBLQOOYCAX-WDEREUQCSA-N 0 1 274.368 2.875 20 10 CFCDMN CN(C)c1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000193462898 522177844 /nfs/dbraw/zinc/17/78/44/522177844.db2.gz RSLYBPHIMWVXOF-HNNXBMFYSA-N 0 1 285.395 2.598 20 10 CFCDMN C[N@H+](CCCCCO)Cc1c([O-])cccc1Cl ZINC000279515283 522732728 /nfs/dbraw/zinc/73/27/28/522732728.db2.gz XUHLXRIOBOMHOI-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN C[N@@H+](CCCCCO)Cc1c([O-])cccc1Cl ZINC000279515283 522732736 /nfs/dbraw/zinc/73/27/36/522732736.db2.gz XUHLXRIOBOMHOI-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc(Cl)c1[O-] ZINC000287863277 522743981 /nfs/dbraw/zinc/74/39/81/522743981.db2.gz XMFDGPVFMXWMFS-SKDRFNHKSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@H](N[C@H](C)c1ncn(C)n1)c1cccc(Cl)c1O ZINC000287863277 522743986 /nfs/dbraw/zinc/74/39/86/522743986.db2.gz XMFDGPVFMXWMFS-SKDRFNHKSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@H](N[C@H](C)c1nncn1C)c1ccc(C)cc1O ZINC000280239036 522745762 /nfs/dbraw/zinc/74/57/62/522745762.db2.gz VTQIKAMZLQOQRW-YPMHNXCESA-N 0 1 274.368 2.631 20 10 CFCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000278644725 522758898 /nfs/dbraw/zinc/75/88/98/522758898.db2.gz DOTXGCNUIMTTIL-XEGUGMAKSA-N 0 1 299.798 2.890 20 10 CFCDMN COCC(C)(C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000292429334 522814252 /nfs/dbraw/zinc/81/42/52/522814252.db2.gz VXXAFJGPCQPBHF-UHFFFAOYSA-N 0 1 283.343 2.591 20 10 CFCDMN COCC(C)(C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000292429334 522814262 /nfs/dbraw/zinc/81/42/62/522814262.db2.gz VXXAFJGPCQPBHF-UHFFFAOYSA-N 0 1 283.343 2.591 20 10 CFCDMN CC[C@@H]1CCCCN1C(=O)CN(C)Cc1ccccc1O ZINC000264577424 523148420 /nfs/dbraw/zinc/14/84/20/523148420.db2.gz BDIVYSNQARQMOI-OAHLLOKOSA-N 0 1 290.407 2.615 20 10 CFCDMN CCn1cc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000265471067 523380545 /nfs/dbraw/zinc/38/05/45/523380545.db2.gz IRBOPDHZBRKJEP-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN CN(Cc1nccn1C)Cc1cc(Cl)c(F)cc1O ZINC000293490108 523593592 /nfs/dbraw/zinc/59/35/92/523593592.db2.gz ANKZDKYAUITEGQ-UHFFFAOYSA-N 0 1 283.734 2.550 20 10 CFCDMN COCCN(Cc1cccnc1)Cc1cc(F)ccc1O ZINC000289398920 523760555 /nfs/dbraw/zinc/76/05/55/523760555.db2.gz GCTXUIGVNBDGKJ-UHFFFAOYSA-N 0 1 290.338 2.575 20 10 CFCDMN CO[C@H](C)C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289928187 523879146 /nfs/dbraw/zinc/87/91/46/523879146.db2.gz WHGHQJOSBUHMNS-SECBINFHSA-N 0 1 288.185 2.621 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289928187 523879148 /nfs/dbraw/zinc/87/91/48/523879148.db2.gz WHGHQJOSBUHMNS-SECBINFHSA-N 0 1 288.185 2.621 20 10 CFCDMN C[C@H]1CCC[C@H](C)N1C(=O)CN(C)Cc1ccccc1O ZINC000264595687 524183383 /nfs/dbraw/zinc/18/33/83/524183383.db2.gz IEMLMSNLVNCLID-KBPBESRZSA-N 0 1 290.407 2.614 20 10 CFCDMN Cc1cccc(CN2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000368880728 524393681 /nfs/dbraw/zinc/39/36/81/524393681.db2.gz AWBRKOYXPWLMHU-CYBMUJFWSA-N 0 1 257.337 2.761 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 ZINC000279427590 524998723 /nfs/dbraw/zinc/99/87/23/524998723.db2.gz XMBSPWRZBNBIAF-DYVFJYSZSA-N 0 1 274.408 2.752 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000273527201 525482600 /nfs/dbraw/zinc/48/26/00/525482600.db2.gz VOZHNSXMVOYNIW-IJLUTSLNSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000035136818 525526341 /nfs/dbraw/zinc/52/63/41/525526341.db2.gz JZLRDFCHQWFLMA-CQSZACIVSA-N 0 1 286.375 2.967 20 10 CFCDMN C[C@H](Nc1ncnc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000302349876 525687648 /nfs/dbraw/zinc/68/76/48/525687648.db2.gz CZFIXUQFSOYKMS-JTQLQIEISA-N 0 1 282.351 2.592 20 10 CFCDMN Cc1nnsc1CNCc1cc(Cl)cc(C)c1O ZINC000292733116 526446872 /nfs/dbraw/zinc/44/68/72/526446872.db2.gz GNZHUGFHIRJXIQ-UHFFFAOYSA-N 0 1 283.784 2.804 20 10 CFCDMN Cc1noc([C@@H]2CCCN2Cc2cc(C)ccc2O)n1 ZINC000289692616 526654104 /nfs/dbraw/zinc/65/41/04/526654104.db2.gz FPUWYXLBOZRZAI-ZDUSSCGKSA-N 0 1 273.336 2.729 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275073112 527565741 /nfs/dbraw/zinc/56/57/41/527565741.db2.gz XTSGOIGOOWNIAZ-GXFFZTMASA-N 0 1 269.772 2.686 20 10 CFCDMN OC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000265205496 527581931 /nfs/dbraw/zinc/58/19/31/527581931.db2.gz BXGKCTUYFDZSMF-MRXNPFEDSA-N 0 1 287.334 2.584 20 10 CFCDMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccccc1O ZINC000736715160 574067890 /nfs/dbraw/zinc/06/78/90/574067890.db2.gz OBPNRNOTGNOEIL-JTQLQIEISA-N 0 1 275.304 2.876 20 10 CFCDMN CCOc1ccc(O)c(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000754155162 574078575 /nfs/dbraw/zinc/07/85/75/574078575.db2.gz CYIUTXJEQLPOQE-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1ccc2ccc(O)c(CN(C)Cc3cc[nH]n3)c2c1 ZINC000732671714 574165218 /nfs/dbraw/zinc/16/52/18/574165218.db2.gz ZEHLLMUKSYAWCG-UHFFFAOYSA-N 0 1 297.358 2.909 20 10 CFCDMN COc1ccc(CNC[C@H](OC)C(F)(F)F)cc1C ZINC000733329313 574222182 /nfs/dbraw/zinc/22/21/82/574222182.db2.gz DFPIEZGGPBKELH-LBPRGKRZSA-N 0 1 277.286 2.671 20 10 CFCDMN CC(C)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756324060 574225165 /nfs/dbraw/zinc/22/51/65/574225165.db2.gz YXXKIJAPLWKJMT-JTQLQIEISA-N 0 1 289.734 2.774 20 10 CFCDMN C[C@H](NCc1ncccc1F)c1cc(F)ccc1O ZINC000756771084 574261621 /nfs/dbraw/zinc/26/16/21/574261621.db2.gz ZUMXSGSKHBUNHV-VIFPVBQESA-N 0 1 264.275 2.916 20 10 CFCDMN Cn1c[nH+]c2cc(NCc3cccc(C(=O)[O-])c3)ccc21 ZINC000821310929 598205163 /nfs/dbraw/zinc/20/51/63/598205163.db2.gz YFQIKFDUQKHHDE-UHFFFAOYSA-N 0 1 281.315 2.884 20 10 CFCDMN CCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccccc1O ZINC000829486309 601161495 /nfs/dbraw/zinc/16/14/95/601161495.db2.gz BMSOLRUKNXVEDP-XYOKQWHBSA-N 0 1 263.337 2.635 20 10 CFCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000829475839 604473389 /nfs/dbraw/zinc/47/33/89/604473389.db2.gz NBRCAPRDINCATF-UHFFFAOYSA-N 0 1 278.396 2.829 20 10 CFCDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833486757 604578597 /nfs/dbraw/zinc/57/85/97/604578597.db2.gz QQCSLQWNKWTXJT-UHFFFAOYSA-N 0 1 285.771 2.978 20 10 CFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000232529999 605547948 /nfs/dbraw/zinc/54/79/48/605547948.db2.gz HUEYTLJJJDSGMS-GFCCVEGCSA-N 0 1 295.354 2.854 20 10 CFCDMN CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000097928764 617902712 /nfs/dbraw/zinc/90/27/12/617902712.db2.gz FZXSVLZACGAVMH-UHFFFAOYSA-N 0 1 268.788 2.620 20 10 CFCDMN COc1ccc(N2CCN(CC=C(C)C)CC2)cc1F ZINC000084866233 617981850 /nfs/dbraw/zinc/98/18/50/617981850.db2.gz KXFUWDQZFAAHOB-UHFFFAOYSA-N 0 1 278.371 2.923 20 10 CFCDMN C[C@H]1OCCN(Cc2cc3c(cc2O)CCCC3)[C@@H]1C ZINC000160432709 618064015 /nfs/dbraw/zinc/06/40/15/618064015.db2.gz UKCZWKWPNUCAJU-CHWSQXEVSA-N 0 1 275.392 2.880 20 10 CFCDMN COc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000071711672 618183857 /nfs/dbraw/zinc/18/38/57/618183857.db2.gz PVUOVVCJFSTTNT-OAHLLOKOSA-N 0 1 297.402 2.973 20 10 CFCDMN C[C@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894028167 618281162 /nfs/dbraw/zinc/28/11/62/618281162.db2.gz WLJUAIIUWYFLEI-QMMMGPOBSA-N 0 1 259.321 2.608 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(F)(F)F)c(Cl)c1 ZINC000840906884 618412739 /nfs/dbraw/zinc/41/27/39/618412739.db2.gz JSPFESVSOPEXMM-NSHDSACASA-N 0 1 297.704 2.757 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000840908786 618422955 /nfs/dbraw/zinc/42/29/55/618422955.db2.gz XTSIEZPOUGDRKU-LLVKDONJSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000840908786 618422958 /nfs/dbraw/zinc/42/29/58/618422958.db2.gz XTSIEZPOUGDRKU-LLVKDONJSA-N 0 1 269.772 2.558 20 10 CFCDMN COc1ccc(CN2CCC(F)(F)CC2)c(O)c1OC ZINC000894177841 618428077 /nfs/dbraw/zinc/42/80/77/618428077.db2.gz AFCBBYWYRJGEQR-UHFFFAOYSA-N 0 1 287.306 2.641 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000020146755 618428506 /nfs/dbraw/zinc/42/85/06/618428506.db2.gz MJGFPXQIVFTWPP-CQSZACIVSA-N 0 1 299.798 2.721 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000066057116 618439578 /nfs/dbraw/zinc/43/95/78/618439578.db2.gz KQUABEHIOGHLLB-OAHLLOKOSA-N 0 1 290.407 2.829 20 10 CFCDMN CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000895299856 618519329 /nfs/dbraw/zinc/51/93/29/618519329.db2.gz HIAAWIQFDPSCMI-LLVKDONJSA-N 0 1 268.744 2.608 20 10 CFCDMN COc1cc(C)cc(CN2CCc3c(O)cccc3C2)c1O ZINC000895404758 618570462 /nfs/dbraw/zinc/57/04/62/618570462.db2.gz GXTGUEZJOSVHTM-UHFFFAOYSA-N 0 1 299.370 2.973 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCN2C)c(Cl)c1 ZINC000840883923 618646644 /nfs/dbraw/zinc/64/66/44/618646644.db2.gz HGDNPYIHOBRUQV-LLVKDONJSA-N 0 1 268.788 2.538 20 10 CFCDMN CCn1cc(CNCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC000892737295 618736318 /nfs/dbraw/zinc/73/63/18/618736318.db2.gz ARDCHLYAOAEDJK-UHFFFAOYSA-N 0 1 290.386 2.706 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(C)OCCO2)c(Cl)c1 ZINC000840938363 619078229 /nfs/dbraw/zinc/07/82/29/619078229.db2.gz CEXUXQYIMSPFRG-UHFFFAOYSA-N 0 1 285.771 2.597 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)c(Cl)c1 ZINC000840942357 619096258 /nfs/dbraw/zinc/09/62/58/619096258.db2.gz ZTFHJCFONRADMT-QWRGUYRKSA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(F)ccc1O ZINC000226561742 619152507 /nfs/dbraw/zinc/15/25/07/619152507.db2.gz KDROVWYNPRQNFU-ZWNOBZJWSA-N 0 1 253.317 2.531 20 10 CFCDMN CC(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227442242 619157221 /nfs/dbraw/zinc/15/72/21/619157221.db2.gz BVAREHZOPUNOGO-GFCCVEGCSA-N 0 1 257.761 2.542 20 10 CFCDMN C[C@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@H]1F ZINC000894418892 619379325 /nfs/dbraw/zinc/37/93/25/619379325.db2.gz CLGTZJDBAPJVFN-QPUJVOFHSA-N 0 1 259.271 2.850 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C)c2C)cc1F ZINC000894430069 619382196 /nfs/dbraw/zinc/38/21/96/619382196.db2.gz YGFYTOMPUBAFNR-UHFFFAOYSA-N 0 1 263.316 2.811 20 10 CFCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533589 619411642 /nfs/dbraw/zinc/41/16/42/619411642.db2.gz TYVTYSHPXVAWOG-BFVZDQMLSA-N 0 1 285.334 2.652 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cn(C)cn1 ZINC000925078475 619447579 /nfs/dbraw/zinc/44/75/79/619447579.db2.gz GWQRUKAAOXHZSJ-ZDUSSCGKSA-N 0 1 272.396 2.645 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894902002 619506578 /nfs/dbraw/zinc/50/65/78/619506578.db2.gz IGTTTYFDJQEKTB-TVQRCGJNSA-N 0 1 271.307 2.527 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000895572383 619556873 /nfs/dbraw/zinc/55/68/73/619556873.db2.gz CQSWNYYNXBMOFC-QMMMGPOBSA-N 0 1 288.706 2.745 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844717 619618081 /nfs/dbraw/zinc/61/80/81/619618081.db2.gz OGWMYMMJSAINHV-QMTHXVAHSA-N 0 1 283.318 2.671 20 10 CFCDMN C[N@@H+](CCCF)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000895897561 619629870 /nfs/dbraw/zinc/62/98/70/619629870.db2.gz BUVXCJNFDWNJNS-UHFFFAOYSA-N 0 1 276.695 2.745 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000896584273 619767622 /nfs/dbraw/zinc/76/76/22/619767622.db2.gz NEHRMMYSWUXCSD-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752025 620218093 /nfs/dbraw/zinc/21/80/93/620218093.db2.gz QHWIGXWSXMCJCD-SECBINFHSA-N 0 1 265.744 2.928 20 10 CFCDMN CO[C@H]1CC[C@H]1[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639226 621140782 /nfs/dbraw/zinc/14/07/82/621140782.db2.gz PBZBCGRLGDYNPY-ZBFHGGJFSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@H]1CC[C@H]1[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639226 621140783 /nfs/dbraw/zinc/14/07/83/621140783.db2.gz PBZBCGRLGDYNPY-ZBFHGGJFSA-N 0 1 272.348 2.550 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H](c2nncn2C)C(C)C)c1 ZINC000903062994 621237632 /nfs/dbraw/zinc/23/76/32/621237632.db2.gz APHAGYIAVHKVMR-WFASDCNBSA-N 0 1 288.395 2.877 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1[O-] ZINC000903288015 621319255 /nfs/dbraw/zinc/31/92/55/621319255.db2.gz VGHVJEJXBZNORE-LQEIOPRQSA-N 0 1 279.767 2.872 20 10 CFCDMN CC[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)ccc1[O-] ZINC000903318877 621320736 /nfs/dbraw/zinc/32/07/36/621320736.db2.gz UCPWNFFKEYIQMO-YPMHNXCESA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(Br)cc1[O-] ZINC000903317101 621330302 /nfs/dbraw/zinc/33/03/02/621330302.db2.gz JPXQFOAMFJCPJW-GXSJLCMTSA-N 0 1 299.212 2.509 20 10 CFCDMN Cc1ccc([C@H](C)NCc2cn(C)cn2)c(O)c1C ZINC000903351402 621343000 /nfs/dbraw/zinc/34/30/00/621343000.db2.gz KUAUZSOYIXKGLJ-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2cn(C)cn2)c(O)c1 ZINC000903351392 621343233 /nfs/dbraw/zinc/34/32/33/621343233.db2.gz KQLSYFCWMWVVKB-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN Cn1c(-c2ccccc2)cnc1SCCc1c[nH]nn1 ZINC000821070152 622839613 /nfs/dbraw/zinc/83/96/13/622839613.db2.gz ZLHCRUHSIDYVQT-UHFFFAOYSA-N 0 1 285.376 2.540 20 10 CFCDMN C[C@]1(F)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824471687 623510231 /nfs/dbraw/zinc/51/02/31/623510231.db2.gz GAVKBSKZNPTRAA-KRWDZBQOSA-N 0 1 292.398 2.847 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CNC(CF)CF ZINC000824555274 623517747 /nfs/dbraw/zinc/51/77/47/623517747.db2.gz RQGXCTDZHUVCRO-UHFFFAOYSA-N 0 1 253.651 2.582 20 10 CFCDMN Cc1cc(O)c(CN(C)Cc2cnn(C)c2)cc1Cl ZINC000824535291 623519866 /nfs/dbraw/zinc/51/98/66/623519866.db2.gz PBMOBMIXGPANRM-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN CC[N@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824556401 623524263 /nfs/dbraw/zinc/52/42/63/623524263.db2.gz RPXSBVQHOAGPOI-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN CC[N@@H+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824556401 623524269 /nfs/dbraw/zinc/52/42/69/623524269.db2.gz RPXSBVQHOAGPOI-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN [O-]c1c(C[NH2+]CC2=CCOCC2)ccc2ccccc21 ZINC000824596692 623530156 /nfs/dbraw/zinc/53/01/56/623530156.db2.gz KKGAYUAAVHASNV-UHFFFAOYSA-N 0 1 269.344 2.982 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)F ZINC000824637458 623535326 /nfs/dbraw/zinc/53/53/26/623535326.db2.gz XJKHIOBKELZRRV-GXSJLCMTSA-N 0 1 279.714 2.540 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000824636841 623537923 /nfs/dbraw/zinc/53/79/23/623537923.db2.gz UIKVDNFHILVUBS-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824788165 623566431 /nfs/dbraw/zinc/56/64/31/623566431.db2.gz AUDMCUNKSQJUJT-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824788165 623566440 /nfs/dbraw/zinc/56/64/40/623566440.db2.gz AUDMCUNKSQJUJT-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824788165 623566451 /nfs/dbraw/zinc/56/64/51/623566451.db2.gz AUDMCUNKSQJUJT-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824854343 623578189 /nfs/dbraw/zinc/57/81/89/623578189.db2.gz RRKKEYOHRJCFPG-OLZOCXBDSA-N 0 1 297.782 2.867 20 10 CFCDMN CCn1ccnc1[C@H](C)NCc1cc(C)ccc1O ZINC000825005029 623603913 /nfs/dbraw/zinc/60/39/13/623603913.db2.gz BPKBWAOGIJKEEW-LBPRGKRZSA-N 0 1 259.353 2.768 20 10 CFCDMN C[C@H]1C[C@H](NCc2cc(F)ccc2O)c2nccn21 ZINC000825016536 623606452 /nfs/dbraw/zinc/60/64/52/623606452.db2.gz DLXVDJZNKQUUFV-CABZTGNLSA-N 0 1 261.300 2.523 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000825016602 623606924 /nfs/dbraw/zinc/60/69/24/623606924.db2.gz FSNOBSNURPGPKJ-SMDDNHRTSA-N 0 1 287.363 2.783 20 10 CFCDMN COCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000825245090 623657997 /nfs/dbraw/zinc/65/79/97/623657997.db2.gz DUWWEZCGSHBENK-UHFFFAOYSA-N 0 1 267.344 2.828 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825256885 623659531 /nfs/dbraw/zinc/65/95/31/623659531.db2.gz KXBSLEKQCVJODF-UMNHJUIQSA-N 0 1 289.297 2.975 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CCC(O)CC2)cc1Cl ZINC000825550146 623714323 /nfs/dbraw/zinc/71/43/23/623714323.db2.gz YSURBPDZLZRUAD-UHFFFAOYSA-N 0 1 269.772 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1Cl ZINC000825561848 623716027 /nfs/dbraw/zinc/71/60/27/623716027.db2.gz HSYUQFBKNQICCO-OLZOCXBDSA-N 0 1 269.772 2.603 20 10 CFCDMN CO[C@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825892182 623766821 /nfs/dbraw/zinc/76/68/21/623766821.db2.gz AROZXCRICSJQEZ-SNVBAGLBSA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825892182 623766824 /nfs/dbraw/zinc/76/68/24/623766824.db2.gz AROZXCRICSJQEZ-SNVBAGLBSA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825892182 623766820 /nfs/dbraw/zinc/76/68/20/623766820.db2.gz AROZXCRICSJQEZ-SNVBAGLBSA-N 0 1 257.761 2.821 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)C2CC2)cc1Cl ZINC000825928075 623769865 /nfs/dbraw/zinc/76/98/65/623769865.db2.gz LYJGZQNEEJQOQG-CQSZACIVSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)C2CC2)cc1Cl ZINC000825928075 623769872 /nfs/dbraw/zinc/76/98/72/623769872.db2.gz LYJGZQNEEJQOQG-CQSZACIVSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)C2CC2)cc1Cl ZINC000825928075 623769876 /nfs/dbraw/zinc/76/98/76/623769876.db2.gz LYJGZQNEEJQOQG-CQSZACIVSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)CCO)cc1Cl ZINC000826029294 623785034 /nfs/dbraw/zinc/78/50/34/623785034.db2.gz CLPJKHXISMZJLB-SNVBAGLBSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1Cl ZINC000826123388 623796836 /nfs/dbraw/zinc/79/68/36/623796836.db2.gz MAYHXEWYCXDLFL-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1Cl ZINC000826123388 623796841 /nfs/dbraw/zinc/79/68/41/623796841.db2.gz MAYHXEWYCXDLFL-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000826140061 623797222 /nfs/dbraw/zinc/79/72/22/623797222.db2.gz WQXFAASMALJLQE-UHFFFAOYSA-N 0 1 291.782 2.942 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000914570514 623901409 /nfs/dbraw/zinc/90/14/09/623901409.db2.gz CAJSHABHQVWLTA-RYUDHWBXSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)CO1 ZINC000914570514 623901412 /nfs/dbraw/zinc/90/14/12/623901412.db2.gz CAJSHABHQVWLTA-RYUDHWBXSA-N 0 1 272.348 2.550 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@@H]2CC2(F)F)cc1Cl ZINC000827072429 623935707 /nfs/dbraw/zinc/93/57/07/623935707.db2.gz JOYSGRAZYRMCEO-GFCCVEGCSA-N 0 1 291.725 2.868 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151936 623955023 /nfs/dbraw/zinc/95/50/23/623955023.db2.gz NMTVQTQBAAXOGH-OAHLLOKOSA-N 0 1 299.773 2.922 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1O)CC1=CCCOC1 ZINC000827185184 623960856 /nfs/dbraw/zinc/96/08/56/623960856.db2.gz NYCMVXOIWHMOPB-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1=CCCOC1 ZINC000827185184 623960860 /nfs/dbraw/zinc/96/08/60/623960860.db2.gz NYCMVXOIWHMOPB-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC1=CCCOC1 ZINC000827185184 623960865 /nfs/dbraw/zinc/96/08/65/623960865.db2.gz NYCMVXOIWHMOPB-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN COc1ccnc(CNCc2cccc(C)c2O)c1F ZINC000827259430 623975803 /nfs/dbraw/zinc/97/58/03/623975803.db2.gz FDRXVMFLSUBOBU-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(O)(C2CC2)C2CC2)cc1Cl ZINC000827352650 623991570 /nfs/dbraw/zinc/99/15/70/623991570.db2.gz MNQHHIWYDXTONJ-UHFFFAOYSA-N 0 1 295.810 2.995 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827601679 624043428 /nfs/dbraw/zinc/04/34/28/624043428.db2.gz GWFFOLVEDZFUDW-ZJUUUORDSA-N 0 1 285.746 2.653 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1Cl ZINC000827691850 624066152 /nfs/dbraw/zinc/06/61/52/624066152.db2.gz CONHPYRSHPSDGV-IAQYHMDHSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1Cl ZINC000827691850 624066154 /nfs/dbraw/zinc/06/61/54/624066154.db2.gz CONHPYRSHPSDGV-IAQYHMDHSA-N 0 1 283.799 2.804 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000153767198 624139332 /nfs/dbraw/zinc/13/93/32/624139332.db2.gz VZTCQNKNWQSWQD-UHFFFAOYSA-N 0 1 256.689 2.548 20 10 CFCDMN CCn1cc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000155190111 624684875 /nfs/dbraw/zinc/68/48/75/624684875.db2.gz JZNGWUMHBKXENE-UHFFFAOYSA-N 0 1 272.396 2.601 20 10 CFCDMN CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000831334433 624991042 /nfs/dbraw/zinc/99/10/42/624991042.db2.gz WDGBUEIRWFMWIF-UONOGXRCSA-N 0 1 295.354 2.637 20 10 CFCDMN Cc1cccn2cc(CNCc3cccc(C)c3O)nc12 ZINC000181337682 625113295 /nfs/dbraw/zinc/11/32/95/625113295.db2.gz ZXDNRXWAUOBTDM-UHFFFAOYSA-N 0 1 281.359 2.947 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC1(F)F ZINC000832058851 625212448 /nfs/dbraw/zinc/21/24/48/625212448.db2.gz FBTAWESCAOZJIT-ZETCQYMHSA-N 0 1 296.100 2.970 20 10 CFCDMN CCc1cc(CN[C@H]2CCc3cccc(O)c32)on1 ZINC000834597020 625732542 /nfs/dbraw/zinc/73/25/42/625732542.db2.gz CROZNGLHHGAKRJ-ZDUSSCGKSA-N 0 1 258.321 2.720 20 10 CFCDMN CN(C)c1nc(CN[C@@H]2CCc3cccc(O)c32)cs1 ZINC000834611739 625734366 /nfs/dbraw/zinc/73/43/66/625734366.db2.gz OAHIDEFVRYQQKL-GFCCVEGCSA-N 0 1 289.404 2.692 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000185539269 625738857 /nfs/dbraw/zinc/73/88/57/625738857.db2.gz WMBPJRDDJFEYIR-GVXVVHGQSA-N 0 1 267.344 2.733 20 10 CFCDMN CCc1nc(CN[C@@H]2CCc3cccc(O)c32)co1 ZINC000834898514 625914383 /nfs/dbraw/zinc/91/43/83/625914383.db2.gz KWSZBYIJELEBIM-GFCCVEGCSA-N 0 1 258.321 2.720 20 10 CFCDMN CCc1ncc(CN[C@H](C)c2cc(F)ccc2O)o1 ZINC000834898231 625914554 /nfs/dbraw/zinc/91/45/54/625914554.db2.gz AMQWEHXLTDWMMX-SECBINFHSA-N 0 1 264.300 2.933 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000834907015 625919084 /nfs/dbraw/zinc/91/90/84/625919084.db2.gz JXCZTYSOFDCTON-JFGNBEQYSA-N 0 1 296.798 2.659 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000834907014 625919439 /nfs/dbraw/zinc/91/94/39/625919439.db2.gz JXCZTYSOFDCTON-JBLDHEPKSA-N 0 1 296.798 2.659 20 10 CFCDMN Oc1ccccc1CN1CCN(Cc2cccs2)CC1 ZINC000770508583 625939858 /nfs/dbraw/zinc/93/98/58/625939858.db2.gz ABIWCDZCRAXMIN-UHFFFAOYSA-N 0 1 288.416 2.772 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cscn1 ZINC000083799521 625997749 /nfs/dbraw/zinc/99/77/49/625997749.db2.gz NKVIPXZAWJHOCG-UHFFFAOYSA-N 0 1 268.769 2.834 20 10 CFCDMN Cc1cc(C[N@@H+](C)CCC(=O)[O-])ccc1N1CCCCC1 ZINC000851706041 634479759 /nfs/dbraw/zinc/47/97/59/634479759.db2.gz AAFOWLZVQPBZBH-UHFFFAOYSA-N 0 1 290.407 2.892 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000840816505 626513766 /nfs/dbraw/zinc/51/37/66/626513766.db2.gz OPFFDDWKXHWZKH-NEPJUHHUSA-N 0 1 259.353 2.846 20 10 CFCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000839147018 626526150 /nfs/dbraw/zinc/52/61/50/626526150.db2.gz AXGUXPQTBPZZOQ-TXEJJXNPSA-N 0 1 255.745 2.703 20 10 CFCDMN COCCC1(C)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000839142067 626528665 /nfs/dbraw/zinc/52/86/65/626528665.db2.gz AJLYKEUIQWIRGF-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN CCOC(=O)c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000809743620 626705343 /nfs/dbraw/zinc/70/53/43/626705343.db2.gz XOPOGNOOLKWFKP-UHFFFAOYSA-N 0 1 293.294 2.591 20 10 CFCDMN CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCOC1 ZINC000763573459 626998767 /nfs/dbraw/zinc/99/87/67/626998767.db2.gz SHKIVNPEXSCHKX-HZMBPMFUSA-N 0 1 285.771 2.502 20 10 CFCDMN Cc1cc(NCc2cccc(Br)c2[O-])cc[nH+]1 ZINC000764934260 627107882 /nfs/dbraw/zinc/10/78/82/627107882.db2.gz KPGRLIQKKDJSTJ-UHFFFAOYSA-N 0 1 293.164 2.892 20 10 CFCDMN C[C@@H]([N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000768440545 627342741 /nfs/dbraw/zinc/34/27/41/627342741.db2.gz FNSSWJPYGWHYQG-YGRLFVJLSA-N 0 1 279.380 2.684 20 10 CFCDMN C[C@@H]([N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000768440545 627342746 /nfs/dbraw/zinc/34/27/46/627342746.db2.gz FNSSWJPYGWHYQG-YGRLFVJLSA-N 0 1 279.380 2.684 20 10 CFCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518238 627348350 /nfs/dbraw/zinc/34/83/50/627348350.db2.gz ABVWAFACFLEOKA-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN CC(C)(C)C[N@H+](CCO)Cc1c([O-])cccc1Cl ZINC000769336852 627426813 /nfs/dbraw/zinc/42/68/13/627426813.db2.gz CHFLTUJBUXZISD-UHFFFAOYSA-N 0 1 271.788 2.886 20 10 CFCDMN CC(C)(C)C[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000769336852 627426816 /nfs/dbraw/zinc/42/68/16/627426816.db2.gz CHFLTUJBUXZISD-UHFFFAOYSA-N 0 1 271.788 2.886 20 10 CFCDMN CN(Cc1nnc[nH]1)Cc1cc(-c2ccccc2)ccc1O ZINC000769459818 627442611 /nfs/dbraw/zinc/44/26/11/627442611.db2.gz GMLLZWRSAFQKQN-UHFFFAOYSA-N 0 1 294.358 2.809 20 10 CFCDMN COc1cccc(O)c1CN1CCOC2(CCCC2)C1 ZINC000769468910 627444224 /nfs/dbraw/zinc/44/42/24/627444224.db2.gz QGQPHBBDXUSXSS-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN CCN(CC)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468641 627444464 /nfs/dbraw/zinc/44/44/64/627444464.db2.gz LSABHVWRBNKEKB-UHFFFAOYSA-N 0 1 284.407 2.814 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000773846908 627863879 /nfs/dbraw/zinc/86/38/79/627863879.db2.gz LTWVJNVFGIHPDR-QGZVFWFLSA-N 0 1 274.408 2.754 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774886108 627977587 /nfs/dbraw/zinc/97/75/87/627977587.db2.gz LLCQXCSAXREFRF-UHFFFAOYSA-N 0 1 280.324 2.541 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904347 627978316 /nfs/dbraw/zinc/97/83/16/627978316.db2.gz RAEJZKOKWPUMMW-ZJUUUORDSA-N 0 1 280.324 2.539 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000775492414 628030919 /nfs/dbraw/zinc/03/09/19/628030919.db2.gz NVTSZWAMJXCGAE-CHWSQXEVSA-N 0 1 296.798 2.755 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775512898 628033248 /nfs/dbraw/zinc/03/32/48/628033248.db2.gz RYMHUCYAFTVBMG-CHWSQXEVSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775524566 628034144 /nfs/dbraw/zinc/03/41/44/628034144.db2.gz CFQZCCRMOSIQSR-BXKDBHETSA-N 0 1 284.787 2.563 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775634231 628048799 /nfs/dbraw/zinc/04/87/99/628048799.db2.gz PWPIBNDWLLVNQC-DTORHVGOSA-N 0 1 273.735 2.794 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000775680370 628054589 /nfs/dbraw/zinc/05/45/89/628054589.db2.gz BDPOGPAOKFELTP-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775690178 628055928 /nfs/dbraw/zinc/05/59/28/628055928.db2.gz KJOCFDFMYSUKTF-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN Cc1cc(Cl)cc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000775704321 628056605 /nfs/dbraw/zinc/05/66/05/628056605.db2.gz APRJNNKILRBEIW-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN C[C@H]1COCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775707644 628057676 /nfs/dbraw/zinc/05/76/76/628057676.db2.gz XMJQACXRXADAAF-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000775735874 628060646 /nfs/dbraw/zinc/06/06/46/628060646.db2.gz DQLDYFMAACAHQZ-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(CC)C1=O ZINC000852019457 634629353 /nfs/dbraw/zinc/62/93/53/634629353.db2.gz ZEVWWVMDSWJWDZ-HNNXBMFYSA-N 0 1 290.407 2.615 20 10 CFCDMN Oc1cc2c(cc1CN1CCO[C@@H](C3CC3)C1)CCCC2 ZINC000776768439 628176968 /nfs/dbraw/zinc/17/69/68/628176968.db2.gz OIDOCULBOJXTGU-GOSISDBHSA-N 0 1 287.403 2.882 20 10 CFCDMN CCOc1ccc(CN2CC[C@H](C)[C@H](F)C2)c(O)c1 ZINC000779149680 628355965 /nfs/dbraw/zinc/35/59/65/628355965.db2.gz OCTBLLNPBBHYCT-SMDDNHRTSA-N 0 1 267.344 2.971 20 10 CFCDMN C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1F ZINC000779150903 628356039 /nfs/dbraw/zinc/35/60/39/628356039.db2.gz STSGCYPDEFZQRR-YOEHRIQHSA-N 0 1 292.398 2.703 20 10 CFCDMN C[N@H+](CCc1cnccn1)Cc1c([O-])cccc1Cl ZINC000780894720 628503188 /nfs/dbraw/zinc/50/31/88/628503188.db2.gz KGMFIBAASWUDSF-UHFFFAOYSA-N 0 1 277.755 2.510 20 10 CFCDMN C[N@@H+](CCc1cnccn1)Cc1c([O-])cccc1Cl ZINC000780894720 628503191 /nfs/dbraw/zinc/50/31/91/628503191.db2.gz KGMFIBAASWUDSF-UHFFFAOYSA-N 0 1 277.755 2.510 20 10 CFCDMN COC(=O)[C@H]1CCCCCN1Cc1cc(C)c(C)cc1O ZINC000781527167 628557710 /nfs/dbraw/zinc/55/77/10/628557710.db2.gz KYDLPWFHSGIEQH-OAHLLOKOSA-N 0 1 291.391 2.927 20 10 CFCDMN Cc1oncc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000782544993 628644468 /nfs/dbraw/zinc/64/44/68/628644468.db2.gz YZISYUJTLBQFGB-LLVKDONJSA-N 0 1 259.353 2.900 20 10 CFCDMN C[C@H](NCc1csc(N(C)C)n1)c1ccccc1O ZINC000783515731 628715294 /nfs/dbraw/zinc/71/52/94/628715294.db2.gz AEZBAJFVYMCMBE-JTQLQIEISA-N 0 1 277.393 2.766 20 10 CFCDMN COc1cccc(O)c1CN1CCc2c(cccc2OC)C1 ZINC000783594743 628725288 /nfs/dbraw/zinc/72/52/88/628725288.db2.gz JBTYQZFZSHKIPP-UHFFFAOYSA-N 0 1 299.370 2.968 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783742739 628740570 /nfs/dbraw/zinc/74/05/70/628740570.db2.gz OUVMGBGMFSHWKQ-TVQRCGJNSA-N 0 1 288.174 2.513 20 10 CFCDMN CN(C)c1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000805755639 628771352 /nfs/dbraw/zinc/77/13/52/628771352.db2.gz YQCGJGKZDCZCCE-UHFFFAOYSA-N 0 1 299.418 2.532 20 10 CFCDMN COc1ccnc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000784267394 628796432 /nfs/dbraw/zinc/79/64/32/628796432.db2.gz ZYMMQSXEGFTTAF-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669390 628835876 /nfs/dbraw/zinc/83/58/76/628835876.db2.gz GWPWXFRMRGMJEY-HAQNSBGRSA-N 0 1 287.762 2.920 20 10 CFCDMN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000787336536 629007832 /nfs/dbraw/zinc/00/78/32/629007832.db2.gz XJSXCDJGPHJHHE-UHFFFAOYSA-N 0 1 267.344 2.826 20 10 CFCDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(O)c1O ZINC000791056501 629284737 /nfs/dbraw/zinc/28/47/37/629284737.db2.gz YGOCLIOFFJPNPD-UHFFFAOYSA-N 0 1 283.287 2.535 20 10 CFCDMN CN(C)c1ccc(/C=C/CN[C@@H]2CCn3ccnc32)cc1 ZINC000835055806 629358325 /nfs/dbraw/zinc/35/83/25/629358325.db2.gz ZKUZGKCGHBKJFF-QDLOVBKTSA-N 0 1 282.391 2.697 20 10 CFCDMN Cc1c(CN(C)C/C=C\c2ccc(N(C)C)cc2)cnn1C ZINC000835055212 629358410 /nfs/dbraw/zinc/35/84/10/629358410.db2.gz XCLXHAIUCGJCJX-SREVYHEPSA-N 0 1 298.434 2.940 20 10 CFCDMN CN(C)c1ccc(/C=C\CN[C@H]2CCn3ccnc32)cc1 ZINC000835055807 629359587 /nfs/dbraw/zinc/35/95/87/629359587.db2.gz ZKUZGKCGHBKJFF-QGZUEGPWSA-N 0 1 282.391 2.697 20 10 CFCDMN C[N@@H+](CCc1cnccn1)Cc1c([O-])ccc(Cl)c1F ZINC000792173905 629405438 /nfs/dbraw/zinc/40/54/38/629405438.db2.gz LNTBAVLPHSDBJL-UHFFFAOYSA-N 0 1 295.745 2.649 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179766 629406730 /nfs/dbraw/zinc/40/67/30/629406730.db2.gz MQFCNESJDVKRNT-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN CC(C)(O)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792179661 629406746 /nfs/dbraw/zinc/40/67/46/629406746.db2.gz JRKCPWXKVXLTHU-UHFFFAOYSA-N 0 1 287.762 2.920 20 10 CFCDMN Cc1noc([C@@H](C)NCc2cc(Cl)cc(F)c2O)n1 ZINC000792176332 629407030 /nfs/dbraw/zinc/40/70/30/629407030.db2.gz APPNOTAAEWOVJJ-ZCFIWIBFSA-N 0 1 285.706 2.727 20 10 CFCDMN Cc1ccc(CN(CCO)Cc2cc(C)ccc2O)o1 ZINC000793365389 629531951 /nfs/dbraw/zinc/53/19/51/629531951.db2.gz KSYIKEBGMICVHA-UHFFFAOYSA-N 0 1 275.348 2.597 20 10 CFCDMN COc1cccc(CNc2ccnc(C)c2Cl)c1O ZINC000798391971 630185070 /nfs/dbraw/zinc/18/50/70/630185070.db2.gz MGCVSQIQCNLCGT-UHFFFAOYSA-N 0 1 278.739 2.792 20 10 CFCDMN CC(C)c1ncc(CN(C)Cc2ccccc2O)cn1 ZINC000799736724 630341716 /nfs/dbraw/zinc/34/17/16/630341716.db2.gz FMOQOYFXWJPOMA-UHFFFAOYSA-N 0 1 271.364 2.938 20 10 CFCDMN Cc1nc2c(cccc2C(=O)N(C)Cc2ccccc2O)[nH]1 ZINC000801922357 630488837 /nfs/dbraw/zinc/48/88/37/630488837.db2.gz JCTWLZJNLJEEDF-UHFFFAOYSA-N 0 1 295.342 2.849 20 10 CFCDMN COC[C@H]1CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840082423 630855712 /nfs/dbraw/zinc/85/57/12/630855712.db2.gz FFYQBVRYMBHICJ-CYBMUJFWSA-N 0 1 287.359 2.775 20 10 CFCDMN COC[C@@H]1CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840082425 630856048 /nfs/dbraw/zinc/85/60/48/630856048.db2.gz FFYQBVRYMBHICJ-ZDUSSCGKSA-N 0 1 287.359 2.775 20 10 CFCDMN COCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840182 630913135 /nfs/dbraw/zinc/91/31/35/630913135.db2.gz SNABEBYCWUPCKZ-UHFFFAOYSA-N 0 1 292.162 2.742 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nncn2C)c1O ZINC000808692705 631029917 /nfs/dbraw/zinc/02/99/17/631029917.db2.gz TXJRLXFOVDHTRF-VHSXEESVSA-N 0 1 294.786 2.894 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000840825751 631232207 /nfs/dbraw/zinc/23/22/07/631232207.db2.gz KOIRWAXRNAWOCL-OCCSQVGLSA-N 0 1 298.386 2.722 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCn2cccn2)c(Cl)c1 ZINC000840875575 631248137 /nfs/dbraw/zinc/24/81/37/631248137.db2.gz OJRPFGVIMXYWPF-UHFFFAOYSA-N 0 1 279.771 2.730 20 10 CFCDMN CCN(CC[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840890360 631253494 /nfs/dbraw/zinc/25/34/94/631253494.db2.gz MEAROYOWDRBGOI-UHFFFAOYSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC[C@@H]2CCCO2)c(Cl)c1 ZINC000840899866 631256027 /nfs/dbraw/zinc/25/60/27/631256027.db2.gz ZPULXRJSTRONRG-LBPRGKRZSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc(O)c(CN2CCSCC2)c(Cl)c1 ZINC000840909544 631260196 /nfs/dbraw/zinc/26/01/96/631260196.db2.gz IGYJRWSSRHZZPW-UHFFFAOYSA-N 0 1 257.786 2.903 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC[C@@H](C)O)c(Cl)c1 ZINC000840918266 631264109 /nfs/dbraw/zinc/26/41/09/631264109.db2.gz QXSAMXBZMXCPLZ-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC[C@@H](C)O)c(Cl)c1 ZINC000840918266 631264113 /nfs/dbraw/zinc/26/41/13/631264113.db2.gz QXSAMXBZMXCPLZ-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000809697838 631266354 /nfs/dbraw/zinc/26/63/54/631266354.db2.gz PSTOFDNWGUTLRV-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)[C@@H]1OC ZINC000840938702 631270931 /nfs/dbraw/zinc/27/09/31/631270931.db2.gz FKGIODMLLOZCMZ-YUELXQCFSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CO)CCC2)c(Cl)c1 ZINC000840939952 631272815 /nfs/dbraw/zinc/27/28/15/631272815.db2.gz RYXSGEFYAAWBLI-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977710 631292754 /nfs/dbraw/zinc/29/27/54/631292754.db2.gz JKSBPLOHAKUUII-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977710 631292755 /nfs/dbraw/zinc/29/27/55/631292755.db2.gz JKSBPLOHAKUUII-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000840978675 631292846 /nfs/dbraw/zinc/29/28/46/631292846.db2.gz OZYQEVYOTHBLFS-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841057637 631324381 /nfs/dbraw/zinc/32/43/81/631324381.db2.gz BQGBTWFBSSTMAL-UFBFGSQYSA-N 0 1 289.206 2.787 20 10 CFCDMN CC[C@H](N)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841069658 631328541 /nfs/dbraw/zinc/32/85/41/631328541.db2.gz CIBWKNYRHVUPKG-VIFPVBQESA-N 0 1 263.168 2.526 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207050 631344413 /nfs/dbraw/zinc/34/44/13/631344413.db2.gz CTNNMTBXXIVWEM-KWQFWETISA-N 0 1 277.286 2.833 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(F)cc(F)c1[O-] ZINC000810253627 631350692 /nfs/dbraw/zinc/35/06/92/631350692.db2.gz YYZIWWHAUAEZDM-SCZZXKLOSA-N 0 1 293.317 2.602 20 10 CFCDMN CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841750994 631465365 /nfs/dbraw/zinc/46/53/65/631465365.db2.gz DUQOBSGKZXCYCI-VLRKGOCCSA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Cl)cc1[O-] ZINC000841750957 631465881 /nfs/dbraw/zinc/46/58/81/631465881.db2.gz CZXBTYXVNSZNJA-JTQLQIEISA-N 0 1 285.771 2.849 20 10 CFCDMN C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000841753515 631466362 /nfs/dbraw/zinc/46/63/62/631466362.db2.gz UYGOKGUZMGUOST-LBPRGKRZSA-N 0 1 280.799 2.958 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841763244 631469432 /nfs/dbraw/zinc/46/94/32/631469432.db2.gz LONHYICMZAOAEP-YPMHNXCESA-N 0 1 299.798 2.892 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043879 631812085 /nfs/dbraw/zinc/81/20/85/631812085.db2.gz OOAQPCCFXNUYFH-UHFFFAOYSA-N 0 1 280.799 2.762 20 10 CFCDMN CCOCC[N@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000156021528 650040962 /nfs/dbraw/zinc/04/09/62/650040962.db2.gz OSELGKVVZOUNPM-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000156021528 650040963 /nfs/dbraw/zinc/04/09/63/650040963.db2.gz OSELGKVVZOUNPM-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420638 631950598 /nfs/dbraw/zinc/95/05/98/631950598.db2.gz ABGKYQFZTBGBFZ-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN COc1cccc(CN2CC(C)(CC(F)F)C2)c1O ZINC000843425084 631954784 /nfs/dbraw/zinc/95/47/84/631954784.db2.gz UEYGDILNKJINFB-UHFFFAOYSA-N 0 1 271.307 2.878 20 10 CFCDMN CCCc1nc(C)c(CNCc2c(O)cccc2OC)o1 ZINC000813791432 631960343 /nfs/dbraw/zinc/96/03/43/631960343.db2.gz AQZVBCZEYSMSHT-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN CC[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000813884794 631972302 /nfs/dbraw/zinc/97/23/02/631972302.db2.gz OFORKPOGLOCUOD-JQWIXIFHSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H](O)CC)c1cc(Cl)ccc1[O-] ZINC000813884792 631972623 /nfs/dbraw/zinc/97/26/23/631972623.db2.gz OFORKPOGLOCUOD-CMPLNLGQSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H](CF)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000814422754 632063123 /nfs/dbraw/zinc/06/31/23/632063123.db2.gz AMBVQBRUMMZKEE-LURJTMIESA-N 0 1 295.141 2.856 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2ccn(C)n2)c(O)c1 ZINC000815598809 632295665 /nfs/dbraw/zinc/29/56/65/632295665.db2.gz CVEUHUMVSOWAJK-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000844933417 632341343 /nfs/dbraw/zinc/34/13/43/632341343.db2.gz FNTZOQMRZCCJJY-RDDDGLTNSA-N 0 1 287.718 2.622 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844939669 632342640 /nfs/dbraw/zinc/34/26/40/632342640.db2.gz PKLQQLITYDSBRD-ARJAWSKDSA-N 0 1 288.391 2.562 20 10 CFCDMN CC(=O)NC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816498891 632471625 /nfs/dbraw/zinc/47/16/25/632471625.db2.gz UEYXEQKPRVBUIW-UHFFFAOYSA-N 0 1 298.386 2.646 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816517201 632477054 /nfs/dbraw/zinc/47/70/54/632477054.db2.gz IEJXZUGSSJCDCQ-GOSISDBHSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816517201 632477059 /nfs/dbraw/zinc/47/70/59/632477059.db2.gz IEJXZUGSSJCDCQ-GOSISDBHSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816517201 632477062 /nfs/dbraw/zinc/47/70/62/632477062.db2.gz IEJXZUGSSJCDCQ-GOSISDBHSA-N 0 1 299.370 2.930 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccco2)ccc2ccccc12 ZINC000816532538 632479744 /nfs/dbraw/zinc/47/97/44/632479744.db2.gz LOAZOPMCGUCBOK-OAHLLOKOSA-N 0 1 283.327 2.962 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H]2CCOC2)ccc2ccccc21 ZINC000816535404 632479751 /nfs/dbraw/zinc/47/97/51/632479751.db2.gz NSOZTAXULRELKC-GFCCVEGCSA-N 0 1 257.333 2.672 20 10 CFCDMN C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537058 632480194 /nfs/dbraw/zinc/48/01/94/632480194.db2.gz REBMNCIVGZTWMC-CYBMUJFWSA-N 0 1 298.386 2.646 20 10 CFCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816549101 632481889 /nfs/dbraw/zinc/48/18/89/632481889.db2.gz DJUMKEZNTKCKNI-KRWDZBQOSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])[nH]n1 ZINC000816553426 632482908 /nfs/dbraw/zinc/48/29/08/632482908.db2.gz VAAUDYZXCCEAPX-UHFFFAOYSA-N 0 1 267.332 2.867 20 10 CFCDMN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816574930 632488862 /nfs/dbraw/zinc/48/88/62/632488862.db2.gz WYMYYZPCCZELKK-GJZGRUSLSA-N 0 1 271.360 2.794 20 10 CFCDMN Cc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])n(C)n1 ZINC000816603000 632492453 /nfs/dbraw/zinc/49/24/53/632492453.db2.gz VCORBLOIPKJMEL-UHFFFAOYSA-N 0 1 281.359 2.877 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608050 632492738 /nfs/dbraw/zinc/49/27/38/632492738.db2.gz NPLQLTQNGXBTOT-AOOOYVTPSA-N 0 1 273.735 2.794 20 10 CFCDMN C[C@H]1CN(Cc2cc(Br)ccc2O)[C@H]1C ZINC000816648003 632500756 /nfs/dbraw/zinc/50/07/56/632500756.db2.gz CDWWCYDYYDBYRQ-IUCAKERBSA-N 0 1 270.170 2.995 20 10 CFCDMN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413592 632625230 /nfs/dbraw/zinc/62/52/30/632625230.db2.gz ZWWWXMNQZGBZOB-ZIAGYGMSSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413592 632625233 /nfs/dbraw/zinc/62/52/33/632625233.db2.gz ZWWWXMNQZGBZOB-ZIAGYGMSSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000817414557 632625507 /nfs/dbraw/zinc/62/55/07/632625507.db2.gz LLEMKXQIXHHPJU-LDYMZIIASA-N 0 1 273.735 2.530 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(Cl)c1 ZINC000817413395 632625718 /nfs/dbraw/zinc/62/57/18/632625718.db2.gz XIVGVDDSFBXFBX-NWDGAFQWSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c(Cl)c1 ZINC000817413395 632625724 /nfs/dbraw/zinc/62/57/24/632625724.db2.gz XIVGVDDSFBXFBX-NWDGAFQWSA-N 0 1 283.799 2.804 20 10 CFCDMN Cn1ncc(Cl)c1CNCc1cc(Cl)ccc1O ZINC000846054729 632625690 /nfs/dbraw/zinc/62/56/90/632625690.db2.gz FEKFVMRUYXHCJD-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN CN(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000846058214 632626112 /nfs/dbraw/zinc/62/61/12/632626112.db2.gz OCWDHZSLJFAVJZ-UHFFFAOYSA-N 0 1 297.811 2.858 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112748 632635075 /nfs/dbraw/zinc/63/50/75/632635075.db2.gz FLJAIDBCJPGLAF-JQBDECOXSA-N 0 1 278.346 2.963 20 10 CFCDMN C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000846215100 632663178 /nfs/dbraw/zinc/66/31/78/632663178.db2.gz XLCLGQIPSIFKEP-XHDPSFHLSA-N 0 1 299.798 2.628 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000846273271 632679242 /nfs/dbraw/zinc/67/92/42/632679242.db2.gz VDHZWEXSCQHEED-KRWDZBQOSA-N 0 1 290.407 2.748 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])ccc1N(C)C ZINC000846273623 632679839 /nfs/dbraw/zinc/67/98/39/632679839.db2.gz ZRFXNPNNPZHFFS-MRXNPFEDSA-N 0 1 276.380 2.500 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC000817881994 632717592 /nfs/dbraw/zinc/71/75/92/632717592.db2.gz SYTUKONOHQFOHR-YGRLFVJLSA-N 0 1 277.364 2.552 20 10 CFCDMN C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944962 632747461 /nfs/dbraw/zinc/74/74/61/632747461.db2.gz QFSFTPURNLAFCO-JGVFFNPUSA-N 0 1 275.179 2.712 20 10 CFCDMN CNCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952438 632752500 /nfs/dbraw/zinc/75/25/00/632752500.db2.gz PTRGKZXITCLPNB-ZETCQYMHSA-N 0 1 263.168 2.569 20 10 CFCDMN CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981890 632778913 /nfs/dbraw/zinc/77/89/13/632778913.db2.gz WUGOAPYZUSKBSQ-DGCLKSJQSA-N 0 1 288.313 2.569 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000846707661 632779097 /nfs/dbraw/zinc/77/90/97/632779097.db2.gz XJFDVXQFQPGLLB-ZANVPECISA-N 0 1 296.798 2.560 20 10 CFCDMN CCc1cccc(CN(C)Cc2cnn(CC)c2)c1O ZINC000848887171 633362046 /nfs/dbraw/zinc/36/20/46/633362046.db2.gz PHGUTELDNMNEJH-UHFFFAOYSA-N 0 1 273.380 2.803 20 10 CFCDMN C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000848928185 633410919 /nfs/dbraw/zinc/41/09/19/633410919.db2.gz AOOOATSXTZNFQC-GFCCVEGCSA-N 0 1 271.360 2.891 20 10 CFCDMN C[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000848928185 633410925 /nfs/dbraw/zinc/41/09/25/633410925.db2.gz AOOOATSXTZNFQC-GFCCVEGCSA-N 0 1 271.360 2.891 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])N1CCCCCC1 ZINC000849049944 633480713 /nfs/dbraw/zinc/48/07/13/633480713.db2.gz WBCBAPGXAOYKCR-UHFFFAOYSA-N 0 1 281.787 2.946 20 10 CFCDMN COC1CC(CC[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000850342965 633946999 /nfs/dbraw/zinc/94/69/99/633946999.db2.gz WYAGJEDHGKBOAE-UHFFFAOYSA-N 0 1 269.772 2.950 20 10 CFCDMN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000850360015 633954914 /nfs/dbraw/zinc/95/49/14/633954914.db2.gz AXGUXPQTBPZZOQ-HAQNSBGRSA-N 0 1 255.745 2.703 20 10 CFCDMN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000850380622 633967924 /nfs/dbraw/zinc/96/79/24/633967924.db2.gz ZGRQJYAEBXQKIF-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000850484891 634013370 /nfs/dbraw/zinc/01/33/70/634013370.db2.gz TXYNVZPLQNEWHY-FIXISWKDSA-N 0 1 299.798 2.748 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000850529193 634036197 /nfs/dbraw/zinc/03/61/97/634036197.db2.gz OFORKPOGLOCUOD-PWSUYJOCSA-N 0 1 257.761 2.857 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2nccn2C)c1 ZINC000850572822 634056831 /nfs/dbraw/zinc/05/68/31/634056831.db2.gz PMQDZXVJHDHOJS-WDEREUQCSA-N 0 1 275.352 2.546 20 10 CFCDMN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000111404262 635038220 /nfs/dbraw/zinc/03/82/20/635038220.db2.gz OKHJCWVCEJLUMG-AWEZNQCLSA-N 0 1 271.788 2.932 20 10 CFCDMN CCC(O)(CC)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000112017930 635263255 /nfs/dbraw/zinc/26/32/55/635263255.db2.gz HYNBRIDOFOHCOC-UHFFFAOYSA-N 0 1 257.761 2.686 20 10 CFCDMN CCC1(CC)CN(Cc2cc(C)ccc2O)CC[S@]1=O ZINC000187553227 650226489 /nfs/dbraw/zinc/22/64/89/650226489.db2.gz XDOCBKRWZRSGFL-HXUWFJFHSA-N 0 1 295.448 2.824 20 10 CFCDMN CO[C@H](C)[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000858165572 636144350 /nfs/dbraw/zinc/14/43/50/636144350.db2.gz JZVAFGXRHWZPGW-RKDXNWHRSA-N 0 1 288.185 2.668 20 10 CFCDMN CC[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000159716103 650274488 /nfs/dbraw/zinc/27/44/88/650274488.db2.gz AKNZBLWGGRHTTK-INIZCTEOSA-N 0 1 275.392 2.882 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000049083399 650287196 /nfs/dbraw/zinc/28/71/96/650287196.db2.gz CSSLUJYQSBTOAI-TZMCWYRMSA-N 0 1 270.376 2.900 20 10 CFCDMN COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862466404 637393364 /nfs/dbraw/zinc/39/33/64/637393364.db2.gz GSMRCLSSDIZUJI-OAHLLOKOSA-N 0 1 297.354 2.897 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862477764 637396563 /nfs/dbraw/zinc/39/65/63/637396563.db2.gz QMLQERUPTUMAEF-UHFFFAOYSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862477764 637396570 /nfs/dbraw/zinc/39/65/70/637396570.db2.gz QMLQERUPTUMAEF-UHFFFAOYSA-N 0 1 285.771 2.523 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529318 637407168 /nfs/dbraw/zinc/40/71/68/637407168.db2.gz RRDOQPZXFDRKMA-XHDPSFHLSA-N 0 1 299.773 2.779 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](CCF)C1 ZINC000862531121 637410263 /nfs/dbraw/zinc/41/02/63/637410263.db2.gz WYFYQGBXBRBJSQ-JTQLQIEISA-N 0 1 291.725 2.745 20 10 CFCDMN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1[O-] ZINC000863545971 637691365 /nfs/dbraw/zinc/69/13/65/637691365.db2.gz CPOGOZBCJRNSCN-TVYUQYBPSA-N 0 1 268.788 2.837 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000863738849 637766477 /nfs/dbraw/zinc/76/64/77/637766477.db2.gz FSUQRPXZAGLUFN-JSGCOSHPSA-N 0 1 277.364 2.552 20 10 CFCDMN COc1cccc(CNCc2nc3ccccc3n2C)c1O ZINC000076272161 650376956 /nfs/dbraw/zinc/37/69/56/650376956.db2.gz CNNXIKKYBUCBIV-UHFFFAOYSA-N 0 1 297.358 2.577 20 10 CFCDMN CC(C)n1ncnc1CNCCCSc1nccs1 ZINC000865469517 638356352 /nfs/dbraw/zinc/35/63/52/638356352.db2.gz XODWFRAKBJQTGU-UHFFFAOYSA-N 0 1 297.453 2.588 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000866415816 638817676 /nfs/dbraw/zinc/81/76/76/638817676.db2.gz FTRHUAUQDRRWJK-SUZMYJTESA-N 0 1 269.772 2.857 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@](C)(CC)C2)c1O ZINC000191150856 650480637 /nfs/dbraw/zinc/48/06/37/650480637.db2.gz NYCCVUWWWGJJSL-INIZCTEOSA-N 0 1 279.380 2.792 20 10 CFCDMN CN(C)c1ccc(CN2CCN(C)c3ncccc3C2)cc1 ZINC000872265557 641726241 /nfs/dbraw/zinc/72/62/41/641726241.db2.gz RYWCSKDEOCUTRF-UHFFFAOYSA-N 0 1 296.418 2.600 20 10 CFCDMN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000872818177 641945346 /nfs/dbraw/zinc/94/53/46/641945346.db2.gz HITIFEGEFROFSP-ABAIWWIYSA-N 0 1 293.407 2.932 20 10 CFCDMN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)(C)C ZINC000872818177 641945349 /nfs/dbraw/zinc/94/53/49/641945349.db2.gz HITIFEGEFROFSP-ABAIWWIYSA-N 0 1 293.407 2.932 20 10 CFCDMN CC[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000125488369 642648681 /nfs/dbraw/zinc/64/86/81/642648681.db2.gz QSTGXMDNTUJDDK-NSHDSACASA-N 0 1 265.328 2.966 20 10 CFCDMN CC[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000125488369 642648686 /nfs/dbraw/zinc/64/86/86/642648686.db2.gz QSTGXMDNTUJDDK-NSHDSACASA-N 0 1 265.328 2.966 20 10 CFCDMN COc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1O ZINC000086755088 650797389 /nfs/dbraw/zinc/79/73/89/650797389.db2.gz CYSWTJHTVRZTRW-CYBMUJFWSA-N 0 1 293.363 2.620 20 10 CFCDMN Cc1noc(C)c1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876611314 642943858 /nfs/dbraw/zinc/94/38/58/642943858.db2.gz BWTCAGBTWJWTRU-UHFFFAOYSA-N 0 1 282.290 2.907 20 10 CFCDMN CCOC(=O)c1ccc(CN(C)Cc2ccccc2O)[nH]1 ZINC000876615503 642945565 /nfs/dbraw/zinc/94/55/65/642945565.db2.gz GUTONISIANFZSV-UHFFFAOYSA-N 0 1 288.347 2.529 20 10 CFCDMN CC(C)(C)[N@H+]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876651476 642958851 /nfs/dbraw/zinc/95/88/51/642958851.db2.gz WYSGDBOSRURAMT-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc(F)c1F ZINC000876804898 643016437 /nfs/dbraw/zinc/01/64/37/643016437.db2.gz VTLDWOBYARUIMQ-AAEUAGOBSA-N 0 1 283.318 2.671 20 10 CFCDMN [O-]c1c(C[NH2+]C2CCN(CC3CC3)CC2)ccc(F)c1F ZINC000876946185 643075629 /nfs/dbraw/zinc/07/56/29/643075629.db2.gz IHGLRMOARFSGRG-UHFFFAOYSA-N 0 1 296.361 2.634 20 10 CFCDMN [O-]c1c(C[NH2+]C2CCN(C3CCC3)CC2)ccc(F)c1F ZINC000876972808 643088333 /nfs/dbraw/zinc/08/83/33/643088333.db2.gz OWXFLMPRAPPJQJ-UHFFFAOYSA-N 0 1 296.361 2.777 20 10 CFCDMN Cc1cnc(CNCCCSc2nccs2)o1 ZINC000877061248 643128446 /nfs/dbraw/zinc/12/84/46/643128446.db2.gz BMNIUCLRDPXFPK-UHFFFAOYSA-N 0 1 269.395 2.712 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCCc3c[nH]nc32)ccc(F)c1F ZINC000877110532 643156396 /nfs/dbraw/zinc/15/63/96/643156396.db2.gz XTYQGUHCVPDPIX-LLVKDONJSA-N 0 1 279.290 2.561 20 10 CFCDMN Oc1c(CNc2cnc3c(c2)COCC3)ccc(F)c1F ZINC000877143107 643176522 /nfs/dbraw/zinc/17/65/22/643176522.db2.gz ZVZRZKKVYLKLKY-UHFFFAOYSA-N 0 1 292.285 2.750 20 10 CFCDMN CCC1(CC)CN(Cc2c(C)cccc2O)CC[S@@]1=O ZINC000877398439 643258114 /nfs/dbraw/zinc/25/81/14/643258114.db2.gz FEVPRYFVTRWYMZ-FQEVSTJZSA-N 0 1 295.448 2.824 20 10 CFCDMN C[C@H](NCc1ccc(F)c(F)c1O)C(=O)OC1CCCC1 ZINC000877469089 643288714 /nfs/dbraw/zinc/28/87/14/643288714.db2.gz JIMOFNSLKOETAL-VIFPVBQESA-N 0 1 299.317 2.634 20 10 CFCDMN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487174 643302153 /nfs/dbraw/zinc/30/21/53/643302153.db2.gz VVGTVYBPSRTVRB-ZYHUDNBSSA-N 0 1 285.334 2.796 20 10 CFCDMN Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)c(F)c2[O-])o1 ZINC000877492048 643305552 /nfs/dbraw/zinc/30/55/52/643305552.db2.gz FIVZRQPFMZKTGN-UHFFFAOYSA-N 0 1 297.301 2.566 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCCC[C@@H]2CCO)ccc(F)c1F ZINC000877507183 643317529 /nfs/dbraw/zinc/31/75/29/643317529.db2.gz MNRLGYXCCIDXIN-GFCCVEGCSA-N 0 1 285.334 2.797 20 10 CFCDMN Cc1noc([C@H]2CCCN2Cc2ccc(C)cc2O)n1 ZINC000877524308 643328686 /nfs/dbraw/zinc/32/86/86/643328686.db2.gz UTUBNGNRKVEEEL-CYBMUJFWSA-N 0 1 273.336 2.729 20 10 CFCDMN CC[N@H+](CCCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877527537 643331019 /nfs/dbraw/zinc/33/10/19/643331019.db2.gz QACJRUDJIUMIKG-UHFFFAOYSA-N 0 1 298.377 2.978 20 10 CFCDMN CC[N@@H+](CCCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877527537 643331026 /nfs/dbraw/zinc/33/10/26/643331026.db2.gz QACJRUDJIUMIKG-UHFFFAOYSA-N 0 1 298.377 2.978 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CO)c1ccccc1 ZINC000877563081 643362480 /nfs/dbraw/zinc/36/24/80/643362480.db2.gz GVGJGLSCKAWEAL-CQSZACIVSA-N 0 1 293.313 2.836 20 10 CFCDMN Cc1cccc(O)c1CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000877571256 643369692 /nfs/dbraw/zinc/36/96/92/643369692.db2.gz ZZTRGMHQWBKDOZ-DGCLKSJQSA-N 0 1 257.337 2.693 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC[C@@H]1CCO1 ZINC000877613053 643399392 /nfs/dbraw/zinc/39/93/92/643399392.db2.gz VGIXFLWVXWTDQF-GFCCVEGCSA-N 0 1 255.745 2.704 20 10 CFCDMN Cc1cccc(O)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000877656021 643435977 /nfs/dbraw/zinc/43/59/77/643435977.db2.gz SZKDGLMGVNZYBJ-UHFFFAOYSA-N 0 1 295.386 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1Cl ZINC000877683214 643452178 /nfs/dbraw/zinc/45/21/78/643452178.db2.gz ULWNLACHWAHEFR-CEQPCEMUSA-N 0 1 293.794 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1Cl ZINC000877693348 643457795 /nfs/dbraw/zinc/45/77/95/643457795.db2.gz GDDKDCVJHCVUNS-RDDDGLTNSA-N 0 1 297.704 2.755 20 10 CFCDMN C[N@H+]1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]21 ZINC000877741041 643511610 /nfs/dbraw/zinc/51/16/10/643511610.db2.gz MGEHJIJPRHYAHV-GWCFXTLKSA-N 0 1 298.789 2.711 20 10 CFCDMN CCOC(=O)[C@@H](C)C1CN(Cc2c(O)cccc2Cl)C1 ZINC000877829537 643596273 /nfs/dbraw/zinc/59/62/73/643596273.db2.gz WITYVBJLRGTXOW-JTQLQIEISA-N 0 1 297.782 2.677 20 10 CFCDMN O=C1N[C@H](c2ccc(F)c(F)c2O)Nc2cc(F)ccc21 ZINC000877847958 643607474 /nfs/dbraw/zinc/60/74/74/643607474.db2.gz GWUKILDSYMUPQT-CYBMUJFWSA-N 0 1 294.232 2.664 20 10 CFCDMN 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/nfs/dbraw/zinc/94/80/35/778948035.db2.gz PCXAGFBTWXWCJS-SNVBAGLBSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc(C)c(CN2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236809649 778949075 /nfs/dbraw/zinc/94/90/75/778949075.db2.gz ZJIJYYNFLJOSQZ-GJZGRUSLSA-N 0 1 285.334 2.981 20 10 CFCDMN CN(Cc1cncnc1)Cc1cc2ccccc2cc1O ZINC001236834671 778959917 /nfs/dbraw/zinc/95/99/17/778959917.db2.gz DDBWHTFGSNDCOC-UHFFFAOYSA-N 0 1 279.343 2.967 20 10 CFCDMN CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c(O)c1 ZINC001237049747 778999933 /nfs/dbraw/zinc/99/99/33/778999933.db2.gz IUHJHZLLTDGQIS-AAEUAGOBSA-N 0 1 267.344 2.971 20 10 CFCDMN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050558 779000688 /nfs/dbraw/zinc/00/06/88/779000688.db2.gz CJBKVUQNJORMRA-CYBMUJFWSA-N 0 1 291.391 2.901 20 10 CFCDMN COc1cc(O)c(CN(C)C2CC2)c(Br)c1 ZINC001237062660 779001657 /nfs/dbraw/zinc/00/16/57/779001657.db2.gz NPFMWBSSJHZQDL-UHFFFAOYSA-N 0 1 286.169 2.758 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)CC1COC1 ZINC001237085424 779008841 /nfs/dbraw/zinc/00/88/41/779008841.db2.gz ZOHFFJFVVKQYCH-UHFFFAOYSA-N 0 1 276.163 2.777 20 10 CFCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@H]1CO ZINC001237122015 779017801 /nfs/dbraw/zinc/01/78/01/779017801.db2.gz QRQDMFDEHFEQPQ-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@H]1CO ZINC001237122015 779017806 /nfs/dbraw/zinc/01/78/06/779017806.db2.gz QRQDMFDEHFEQPQ-SKDRFNHKSA-N 0 1 287.762 2.778 20 10 CFCDMN C[NH+](C)[C@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237124041 779018882 /nfs/dbraw/zinc/01/88/82/779018882.db2.gz IWABJPKTIXSZDQ-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](CO)CC1 ZINC001237122598 779018915 /nfs/dbraw/zinc/01/89/15/779018915.db2.gz WOYJFZLSIYRLSE-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001237122598 779018922 /nfs/dbraw/zinc/01/89/22/779018922.db2.gz WOYJFZLSIYRLSE-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN CC[N@H+]1C[C@H]2CN(Cc3c([O-])ccc(F)c3Cl)C[C@H]2C1 ZINC001237128530 779021514 /nfs/dbraw/zinc/02/15/14/779021514.db2.gz RCPSPAHCKZMPEH-PHIMTYICSA-N 0 1 298.789 2.568 20 10 CFCDMN CC[N@@H+]1C[C@H]2CN(Cc3c([O-])ccc(F)c3Cl)C[C@H]2C1 ZINC001237128530 779021520 /nfs/dbraw/zinc/02/15/20/779021520.db2.gz RCPSPAHCKZMPEH-PHIMTYICSA-N 0 1 298.789 2.568 20 10 CFCDMN [O-]c1cc(F)c(F)cc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154633 779028842 /nfs/dbraw/zinc/02/88/42/779028842.db2.gz LZJRJZCTMGQMOG-ZDUSSCGKSA-N 0 1 296.361 2.777 20 10 CFCDMN [O-]c1ccc(F)c(F)c1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237158150 779031793 /nfs/dbraw/zinc/03/17/93/779031793.db2.gz XYARQRVWGGARJS-GFCCVEGCSA-N 0 1 296.361 2.777 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCC1=O ZINC001237616479 779143834 /nfs/dbraw/zinc/14/38/34/779143834.db2.gz DYZGJDYQRWJKFY-SECBINFHSA-N 0 1 285.746 2.986 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1F ZINC001237617540 779144684 /nfs/dbraw/zinc/14/46/84/779144684.db2.gz SIPKSAWFTNASNH-HQJQHLMTSA-N 0 1 261.699 2.975 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1F ZINC001237617540 779144688 /nfs/dbraw/zinc/14/46/88/779144688.db2.gz SIPKSAWFTNASNH-HQJQHLMTSA-N 0 1 261.699 2.975 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1F ZINC001237617540 779144690 /nfs/dbraw/zinc/14/46/90/779144690.db2.gz SIPKSAWFTNASNH-HQJQHLMTSA-N 0 1 261.699 2.975 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237622312 779145783 /nfs/dbraw/zinc/14/57/83/779145783.db2.gz QAUAEBRBJJECTB-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC001237622008 779145976 /nfs/dbraw/zinc/14/59/76/779145976.db2.gz LGNVLJZFKGSQJC-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1CO ZINC001237618400 779146360 /nfs/dbraw/zinc/14/63/60/779146360.db2.gz ZSLDZUHZBBYQLE-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237802101 779181263 /nfs/dbraw/zinc/18/12/63/779181263.db2.gz XXKGUQIXZQJDKN-VIRWGQHYSA-N 0 1 273.710 2.975 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237802101 779181265 /nfs/dbraw/zinc/18/12/65/779181265.db2.gz XXKGUQIXZQJDKN-VIRWGQHYSA-N 0 1 273.710 2.975 20 10 CFCDMN Cc1[nH+]cc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237799868 779181495 /nfs/dbraw/zinc/18/14/95/779181495.db2.gz JCTUBKRUPLXCRL-UHFFFAOYSA-N 0 1 295.745 2.705 20 10 CFCDMN CC(=O)[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1O ZINC001237800836 779181538 /nfs/dbraw/zinc/18/15/38/779181538.db2.gz CQABGRMHOUFIMM-LBPRGKRZSA-N 0 1 271.719 2.738 20 10 CFCDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799625 779181872 /nfs/dbraw/zinc/18/18/72/779181872.db2.gz SHSUEWOEUWLCEA-GZMMTYOYSA-N 0 1 273.735 2.530 20 10 CFCDMN CC[N@H+](CCCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237801987 779182126 /nfs/dbraw/zinc/18/21/26/779182126.db2.gz JRJIPLCAXUCBJE-UHFFFAOYSA-N 0 1 288.794 2.958 20 10 CFCDMN CC[N@@H+](CCCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237801987 779182130 /nfs/dbraw/zinc/18/21/30/779182130.db2.gz JRJIPLCAXUCBJE-UHFFFAOYSA-N 0 1 288.794 2.958 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCOC[C@@H]1C1CC1 ZINC001237804868 779183249 /nfs/dbraw/zinc/18/32/49/779183249.db2.gz HPUPNLKPXFQQBI-CYBMUJFWSA-N 0 1 285.746 2.796 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237808100 779184768 /nfs/dbraw/zinc/18/47/68/779184768.db2.gz QMDIYXJFKACMTP-SECBINFHSA-N 0 1 273.735 2.653 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807798 779184843 /nfs/dbraw/zinc/18/48/43/779184843.db2.gz LZWUADJQHHSHFW-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237933738 779209176 /nfs/dbraw/zinc/20/91/76/779209176.db2.gz GDLNAVGSIQQVPH-SNVBAGLBSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001237934573 779211499 /nfs/dbraw/zinc/21/14/99/779211499.db2.gz KZOLHRVHKOAFIU-JTQLQIEISA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237936608 779212125 /nfs/dbraw/zinc/21/21/25/779212125.db2.gz KRFWSPKKASXCNV-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN Cc1nccnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000699896724 779413423 /nfs/dbraw/zinc/41/34/23/779413423.db2.gz XANGBIWBLIMDOI-GFCCVEGCSA-N 0 1 270.380 2.702 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1C=CCC1 ZINC000700505380 780694557 /nfs/dbraw/zinc/69/45/57/780694557.db2.gz PCQLAVDAYAFPIG-NSHDSACASA-N 0 1 268.154 2.963 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000700791649 780720343 /nfs/dbraw/zinc/72/03/43/780720343.db2.gz YHDSRYIELSKBCH-CMPLNLGQSA-N 0 1 267.756 2.514 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000700791649 780720346 /nfs/dbraw/zinc/72/03/46/780720346.db2.gz YHDSRYIELSKBCH-CMPLNLGQSA-N 0 1 267.756 2.514 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1C ZINC000703532158 781026412 /nfs/dbraw/zinc/02/64/12/781026412.db2.gz SWOFZNVIUDDPSP-BXKDBHETSA-N 0 1 271.307 2.527 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541267 781027903 /nfs/dbraw/zinc/02/79/03/781027903.db2.gz MRVFJDSYKMXGOG-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541267 781027911 /nfs/dbraw/zinc/02/79/11/781027911.db2.gz MRVFJDSYKMXGOG-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN COCC(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706871541 781207193 /nfs/dbraw/zinc/20/71/93/781207193.db2.gz FRPCMKOGVJPCIP-UHFFFAOYSA-N 0 1 288.185 2.669 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCOCC12CCCC2 ZINC000708398599 781272372 /nfs/dbraw/zinc/27/23/72/781272372.db2.gz ILGBOBAPBUPPHT-UHFFFAOYSA-N 0 1 283.318 2.815 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708399231 781272987 /nfs/dbraw/zinc/27/29/87/781272987.db2.gz KCLVCCYEIRQYRM-CQSZACIVSA-N 0 1 271.307 2.529 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000708403194 781274128 /nfs/dbraw/zinc/27/41/28/781274128.db2.gz ZRWGVKZZVLOSJO-JOYOIKCWSA-N 0 1 271.307 2.670 20 10 CFCDMN C[C@@]1(C(F)F)CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708440520 781275044 /nfs/dbraw/zinc/27/50/44/781275044.db2.gz CDQXGFPKZSAHAO-ZDUSSCGKSA-N 0 1 293.260 2.526 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711492956 781445356 /nfs/dbraw/zinc/44/53/56/781445356.db2.gz WEEKPVLQSGNMLR-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CO ZINC000092455823 347625534 /nfs/dbraw/zinc/62/55/34/347625534.db2.gz DSNAVUOCTMDEEH-JTQLQIEISA-N 0 1 276.163 2.656 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])C(C)C)c1O ZINC000297083609 200080921 /nfs/dbraw/zinc/08/09/21/200080921.db2.gz VCZKQDKJAFQNFI-UHFFFAOYSA-N 0 1 299.754 2.543 20 10 CFCDMN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273441278 299314729 /nfs/dbraw/zinc/31/47/29/299314729.db2.gz YMEXFXZYIQJDRD-WKEGUHRASA-N 0 1 283.677 2.619 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(F)ccc1[O-] ZINC000296345349 296127166 /nfs/dbraw/zinc/12/71/66/296127166.db2.gz IBDMYBXTWJKWLV-WDEREUQCSA-N 0 1 255.333 2.591 20 10 CFCDMN C[C@@H](NCc1nncn1C)c1ccc2ccccc2c1O ZINC000038007516 372761190 /nfs/dbraw/zinc/76/11/90/372761190.db2.gz FGKYZFGSPLWYRP-LLVKDONJSA-N 0 1 282.347 2.525 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000037911612 372736535 /nfs/dbraw/zinc/73/65/35/372736535.db2.gz PPUJDTVUSPPUEH-SECBINFHSA-N 0 1 251.301 2.718 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000037911612 372736538 /nfs/dbraw/zinc/73/65/38/372736538.db2.gz PPUJDTVUSPPUEH-SECBINFHSA-N 0 1 251.301 2.718 20 10 CFCDMN CN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000109769115 375823394 /nfs/dbraw/zinc/82/33/94/375823394.db2.gz ALYHVXVBVBWZMR-INIZCTEOSA-N 0 1 296.370 2.630 20 10 CFCDMN CC(C)(C)[S@@](=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000116920963 376215939 /nfs/dbraw/zinc/21/59/39/376215939.db2.gz ZVEIPIKDGFCLSP-GOSISDBHSA-N 0 1 289.828 2.682 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000124530359 377061434 /nfs/dbraw/zinc/06/14/34/377061434.db2.gz QXXADPZOUDVPSG-LLVKDONJSA-N 0 1 255.745 2.656 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000130034777 377504233 /nfs/dbraw/zinc/50/42/33/377504233.db2.gz QPCUVZMIBPENOD-ZDUSSCGKSA-N 0 1 291.391 2.792 20 10 CFCDMN COCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132703181 377869367 /nfs/dbraw/zinc/86/93/67/377869367.db2.gz OQKJPDGHCVFRJB-UHFFFAOYSA-N 0 1 264.152 2.777 20 10 CFCDMN C[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000132559863 377853489 /nfs/dbraw/zinc/85/34/89/377853489.db2.gz MVFIQULCZBHUDB-NEPJUHHUSA-N 0 1 259.349 2.967 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000134389431 378008880 /nfs/dbraw/zinc/00/88/80/378008880.db2.gz ISRHHPRMTLBIBB-CQSZACIVSA-N 0 1 297.370 2.573 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000134389431 378008884 /nfs/dbraw/zinc/00/88/84/378008884.db2.gz ISRHHPRMTLBIBB-CQSZACIVSA-N 0 1 297.370 2.573 20 10 CFCDMN Cc1cnc([C@@H](C)NCc2cc3c(cc2O)OCO3)s1 ZINC000134907452 378062720 /nfs/dbraw/zinc/06/27/20/378062720.db2.gz QEKJFQXJXWPDCY-SECBINFHSA-N 0 1 292.360 2.737 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134920972 378063292 /nfs/dbraw/zinc/06/32/92/378063292.db2.gz OWKBKPJYWAPGEO-BDAKNGLRSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(Br)cc1[O-] ZINC000134921238 378064066 /nfs/dbraw/zinc/06/40/66/378064066.db2.gz MJXGZRUNNDRHBE-DTWKUNHWSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134922876 378064084 /nfs/dbraw/zinc/06/40/84/378064084.db2.gz BAWOBVUHYDXSAI-RKDXNWHRSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CN1C1CC1 ZINC000151108318 378295456 /nfs/dbraw/zinc/29/54/56/378295456.db2.gz VAWSWUXPWOYAKK-QWRGUYRKSA-N 0 1 280.799 2.760 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)Cc2cnn(C)c2)c1O ZINC000179601882 380563101 /nfs/dbraw/zinc/56/31/01/380563101.db2.gz KILFTSQDJISBIL-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN COc1ccc(O)c(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000180479218 380666424 /nfs/dbraw/zinc/66/64/24/380666424.db2.gz GEQWRELCGJPOOK-UHFFFAOYSA-N 0 1 295.379 2.564 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000180616138 380683384 /nfs/dbraw/zinc/68/33/84/380683384.db2.gz BGFKITLEQVQWSM-CQSZACIVSA-N 0 1 267.756 2.658 20 10 CFCDMN COC[C@H](NCc1cc(F)ccc1O)c1ccc(C)o1 ZINC000180826323 380702504 /nfs/dbraw/zinc/70/25/04/380702504.db2.gz WHPMGLIHKLRMDX-ZDUSSCGKSA-N 0 1 279.311 2.910 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000180426589 380656709 /nfs/dbraw/zinc/65/67/09/380656709.db2.gz JBLBNIGTCWJYCK-CYBMUJFWSA-N 0 1 267.756 2.656 20 10 CFCDMN C[N@@H+](CCn1cccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295414007 380838060 /nfs/dbraw/zinc/83/80/60/380838060.db2.gz RVJVNRDCFQPWNU-UHFFFAOYSA-N 0 1 283.734 2.513 20 10 CFCDMN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000287477375 380839137 /nfs/dbraw/zinc/83/91/37/380839137.db2.gz MRUZRUJGUSOPMP-LLVKDONJSA-N 0 1 299.798 2.628 20 10 CFCDMN COC[C@@H](NCc1cccc(C)c1O)c1ccco1 ZINC000182530962 381106907 /nfs/dbraw/zinc/10/69/07/381106907.db2.gz VJSWZBKHXDDRSC-CYBMUJFWSA-N 0 1 261.321 2.771 20 10 CFCDMN COC[C@H](NCc1cccc(C)c1O)c1ccco1 ZINC000182530945 381107370 /nfs/dbraw/zinc/10/73/70/381107370.db2.gz VJSWZBKHXDDRSC-ZDUSSCGKSA-N 0 1 261.321 2.771 20 10 CFCDMN CCCOc1ccc(CN(C(C)C)C2COC2)c(O)c1 ZINC000296202539 381299444 /nfs/dbraw/zinc/29/94/44/381299444.db2.gz ZHHUQNKLNKRQBP-UHFFFAOYSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1cccc(CN[C@H](CCO)c2ccco2)c1O ZINC000184518657 381426679 /nfs/dbraw/zinc/42/66/79/381426679.db2.gz YXHOUYJXUPUZGK-CYBMUJFWSA-N 0 1 291.347 2.597 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000184850627 381488059 /nfs/dbraw/zinc/48/80/59/381488059.db2.gz OLQNDLNTAXROIA-KOLCDFICSA-N 0 1 255.745 2.875 20 10 CFCDMN COC[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185148599 381546703 /nfs/dbraw/zinc/54/67/03/381546703.db2.gz LOZKZVURYZCGQH-ZJUUUORDSA-N 0 1 257.761 2.979 20 10 CFCDMN CCC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185436509 381631766 /nfs/dbraw/zinc/63/17/66/381631766.db2.gz PVVGESHMCSMWSP-KOLCDFICSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185522044 381656873 /nfs/dbraw/zinc/65/68/73/381656873.db2.gz JWTUSYMYXDCIFT-MXWKQRLJSA-N 0 1 255.333 2.589 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000371527845 381652763 /nfs/dbraw/zinc/65/27/63/381652763.db2.gz JEVDKNUJPGYJAE-KGLIPLIRSA-N 0 1 265.328 2.675 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1[O-] ZINC000186114920 381826382 /nfs/dbraw/zinc/82/63/82/381826382.db2.gz ZRNPVOXOBMQGIB-CABZTGNLSA-N 0 1 291.782 2.977 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1F ZINC000376017162 382115046 /nfs/dbraw/zinc/11/50/46/382115046.db2.gz ZYQYYOJCFNMHDF-HZPDHXFCSA-N 0 1 278.371 2.645 20 10 CFCDMN Cc1cc(CN2CCO[C@H]3CCC[C@@H]32)ccc1N(C)C ZINC000293577488 382182301 /nfs/dbraw/zinc/18/23/01/382182301.db2.gz SYSARNINLBBBOY-IRXDYDNUSA-N 0 1 274.408 2.814 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC12CCOCC2 ZINC000376463129 382137840 /nfs/dbraw/zinc/13/78/40/382137840.db2.gz LBARCOMJTQLARN-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000377236944 382239811 /nfs/dbraw/zinc/23/98/11/382239811.db2.gz GWXLGRCVXJWKNJ-HIFRSBDPSA-N 0 1 291.391 2.649 20 10 CFCDMN Cc1nccnc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000187705646 382251769 /nfs/dbraw/zinc/25/17/69/382251769.db2.gz GOHUQRFAACWSTN-ZDUSSCGKSA-N 0 1 270.380 2.702 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)c(F)c1[O-] ZINC000377407382 382268466 /nfs/dbraw/zinc/26/84/66/382268466.db2.gz AEUXALAQVLTPHT-IUCAKERBSA-N 0 1 293.317 2.602 20 10 CFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4c([O-])cccc4Cl)[C@H]1[C@H]3C2 ZINC000377626900 382305734 /nfs/dbraw/zinc/30/57/34/382305734.db2.gz LHHOETSUQIVBQG-WQFFQYHTSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c([O-])cccc4Cl)[C@H]1[C@H]3C2 ZINC000377626900 382305739 /nfs/dbraw/zinc/30/57/39/382305739.db2.gz LHHOETSUQIVBQG-WQFFQYHTSA-N 0 1 293.794 2.901 20 10 CFCDMN Cc1ccc(O)c(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000364322118 382305882 /nfs/dbraw/zinc/30/58/82/382305882.db2.gz DRQWRNAMKPZDJQ-MRXNPFEDSA-N 0 1 294.358 2.698 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(F)ccc1[O-] ZINC000188001912 382321037 /nfs/dbraw/zinc/32/10/37/382321037.db2.gz MRRWYINEFUTWPA-MISXGVKJSA-N 0 1 267.344 2.733 20 10 CFCDMN CO[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000188113327 382346256 /nfs/dbraw/zinc/34/62/56/382346256.db2.gz MFSSOTARSKZWLA-DTWKUNHWSA-N 0 1 288.185 2.840 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000365266759 382368042 /nfs/dbraw/zinc/36/80/42/382368042.db2.gz LMBDVRJOLKJHRV-GXFFZTMASA-N 0 1 298.789 2.711 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378345108 382440979 /nfs/dbraw/zinc/44/09/79/382440979.db2.gz HEKHNMIERJDTAW-JTQLQIEISA-N 0 1 292.770 2.543 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378345108 382440983 /nfs/dbraw/zinc/44/09/83/382440983.db2.gz HEKHNMIERJDTAW-JTQLQIEISA-N 0 1 292.770 2.543 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378635485 382497785 /nfs/dbraw/zinc/49/77/85/382497785.db2.gz USTFCXCIQJSZIM-GFCCVEGCSA-N 0 1 253.317 2.532 20 10 CFCDMN Cc1noc(C(C)(C)NCc2cc(Cl)c(F)cc2O)n1 ZINC000294574270 382516979 /nfs/dbraw/zinc/51/69/79/382516979.db2.gz GPUXOJUKQRNTCA-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN COCCN(Cc1cc(Cl)c(F)cc1O)CC(F)F ZINC000295224499 382592660 /nfs/dbraw/zinc/59/26/60/382592660.db2.gz CBZIRPGYWYXPFE-UHFFFAOYSA-N 0 1 297.704 2.898 20 10 CFCDMN Cc1n[nH]c(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000267066919 384291913 /nfs/dbraw/zinc/29/19/13/384291913.db2.gz UWNYHOHDSSDPEL-UHFFFAOYSA-N 0 1 299.374 2.541 20 10 CFCDMN CC[C@H](NCc1nccn1C)c1ccc(N(C)C)cc1 ZINC000268832951 384673465 /nfs/dbraw/zinc/67/34/65/384673465.db2.gz CRXRYYPOSKIQRY-HNNXBMFYSA-N 0 1 272.396 2.727 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])CC1(CC(=O)OC)CC1 ZINC000281545114 385197651 /nfs/dbraw/zinc/19/76/51/385197651.db2.gz XYLHVHOBCCMILZ-UHFFFAOYSA-N 0 1 291.391 2.948 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1(CC(=O)OC)CC1 ZINC000281545114 385197655 /nfs/dbraw/zinc/19/76/55/385197655.db2.gz XYLHVHOBCCMILZ-UHFFFAOYSA-N 0 1 291.391 2.948 20 10 CFCDMN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000282190127 385241958 /nfs/dbraw/zinc/24/19/58/385241958.db2.gz GFNHIRVQYTUDAN-YYSFKGJASA-N 0 1 287.812 2.607 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282665260 385365726 /nfs/dbraw/zinc/36/57/26/385365726.db2.gz HCQAIBFBHYLMPK-HNNXBMFYSA-N 0 1 279.355 2.970 20 10 CFCDMN C[N@H+](CCOCC1CC1)Cc1c([O-])cccc1Cl ZINC000271203866 385375241 /nfs/dbraw/zinc/37/52/41/385375241.db2.gz YNCVCYPVBROBAB-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@@H+](CCOCC1CC1)Cc1c([O-])cccc1Cl ZINC000271203866 385375244 /nfs/dbraw/zinc/37/52/44/385375244.db2.gz YNCVCYPVBROBAB-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000271248847 385377320 /nfs/dbraw/zinc/37/73/20/385377320.db2.gz HTBULHXDZUBRFJ-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000271248847 385377326 /nfs/dbraw/zinc/37/73/26/385377326.db2.gz HTBULHXDZUBRFJ-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)C1CCCC1 ZINC000271798903 385392430 /nfs/dbraw/zinc/39/24/30/385392430.db2.gz KRYDIKIOSFNSOW-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000273511709 385686292 /nfs/dbraw/zinc/68/62/92/385686292.db2.gz RVOBUHNESQBWCV-WDEREUQCSA-N 0 1 274.368 2.793 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000107671914 393870939 /nfs/dbraw/zinc/87/09/39/393870939.db2.gz VBLRTJLHOXQMMI-AWEZNQCLSA-N 0 1 263.381 2.867 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1cc(C)c(C)cc1O ZINC000107669016 393870955 /nfs/dbraw/zinc/87/09/55/393870955.db2.gz DUVYAJOVTXLLCX-UHFFFAOYSA-N 0 1 251.370 2.867 20 10 CFCDMN CC(C)N(C(=O)[C@@H](C)N(C)Cc1ccccc1O)C(C)C ZINC000109769870 393879822 /nfs/dbraw/zinc/87/98/22/393879822.db2.gz IMTZCGFYJUDWNK-CQSZACIVSA-N 0 1 292.423 2.858 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000020194925 171060835 /nfs/dbraw/zinc/06/08/35/171060835.db2.gz YFFASIRIZNFNFD-AAEUAGOBSA-N 0 1 259.349 2.967 20 10 CFCDMN C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185688542 262066528 /nfs/dbraw/zinc/06/65/28/262066528.db2.gz USTWQQHLQCBQFG-UWVGGRQHSA-N 0 1 257.761 2.857 20 10 CFCDMN COc1cc(Cl)cc(CN2CCCO[C@@H](C)C2)c1O ZINC000184687899 262292450 /nfs/dbraw/zinc/29/24/50/262292450.db2.gz AHHHNTUTVWWWMQ-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN C[C@H]1CCOCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367701183 267111390 /nfs/dbraw/zinc/11/13/90/267111390.db2.gz FPNDYRFAIBUMCK-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367738661 267114356 /nfs/dbraw/zinc/11/43/56/267114356.db2.gz BRXSQNLMCKRPIB-WCQYABFASA-N 0 1 281.783 2.904 20 10 CFCDMN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368131698 267146493 /nfs/dbraw/zinc/14/64/93/267146493.db2.gz BNYVYHSBBVDGPA-LLVKDONJSA-N 0 1 291.782 2.769 20 10 CFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368131698 267146494 /nfs/dbraw/zinc/14/64/94/267146494.db2.gz BNYVYHSBBVDGPA-LLVKDONJSA-N 0 1 291.782 2.769 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000369868722 267273143 /nfs/dbraw/zinc/27/31/43/267273143.db2.gz UHMUGMZFNXDWOA-JTQLQIEISA-N 0 1 267.756 2.514 20 10 CFCDMN CN(C)[C@@]1(C(=O)Nc2ccc(N)cc2)CCc2ccccc21 ZINC000370722650 267342364 /nfs/dbraw/zinc/34/23/64/267342364.db2.gz OLFLUZRLYKRNJJ-SFHVURJKSA-N 0 1 295.386 2.611 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000185829851 327846868 /nfs/dbraw/zinc/84/68/68/327846868.db2.gz CYCQIMQTLAMJPY-JFGNBEQYSA-N 0 1 267.756 2.633 20 10 CFCDMN C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185190731 327914946 /nfs/dbraw/zinc/91/49/46/327914946.db2.gz MHWDJQQXROUHCW-HZMBPMFUSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1[O-] ZINC000527976932 330302138 /nfs/dbraw/zinc/30/21/38/330302138.db2.gz DSVWQSCXEPMJTJ-IPWFMCSPSA-N 0 1 267.756 2.875 20 10 CFCDMN CCOC(=O)[C@@H](C)N(Cc1cccc(Cl)c1O)C1CC1 ZINC000191713054 521012219 /nfs/dbraw/zinc/01/22/19/521012219.db2.gz JFEYDJRVYGGAJW-SNVBAGLBSA-N 0 1 297.782 2.962 20 10 CFCDMN CCOC(=O)[C@@H](C)[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000191713054 521012224 /nfs/dbraw/zinc/01/22/24/521012224.db2.gz JFEYDJRVYGGAJW-SNVBAGLBSA-N 0 1 297.782 2.962 20 10 CFCDMN CCOC(=O)[C@@H](C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000191713054 521012228 /nfs/dbraw/zinc/01/22/28/521012228.db2.gz JFEYDJRVYGGAJW-SNVBAGLBSA-N 0 1 297.782 2.962 20 10 CFCDMN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000036795061 521743704 /nfs/dbraw/zinc/74/37/04/521743704.db2.gz FCCMOXXCXDIUCN-NWDGAFQWSA-N 0 1 286.375 2.721 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278309612 521868792 /nfs/dbraw/zinc/86/87/92/521868792.db2.gz DTESIBFPFCWUSP-NSHDSACASA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278238713 521874562 /nfs/dbraw/zinc/87/45/62/521874562.db2.gz NQGQPIXHCOXPFK-GHMZBOCLSA-N 0 1 294.351 2.929 20 10 CFCDMN CCc1nnc([C@H](C)N[C@H](CC)c2ccccc2O)[nH]1 ZINC000274783151 522456821 /nfs/dbraw/zinc/45/68/21/522456821.db2.gz PPWIMIIMLABMMI-CMPLNLGQSA-N 0 1 274.368 2.875 20 10 CFCDMN COC[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230663322 522676913 /nfs/dbraw/zinc/67/69/13/522676913.db2.gz XPKLYNIWSRTFPB-JSGCOSHPSA-N 0 1 289.375 2.593 20 10 CFCDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000278644718 522764602 /nfs/dbraw/zinc/76/46/02/522764602.db2.gz DOTXGCNUIMTTIL-RIEGTJTDSA-N 0 1 299.798 2.890 20 10 CFCDMN COc1cc(O)c(CN(C)Cc2occc2C)cc1OC ZINC000292752672 522773270 /nfs/dbraw/zinc/77/32/70/522773270.db2.gz IPMSJCNCJKHPLL-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN C[N@@H+](CCCn1ccnc1)Cc1cccc(Cl)c1[O-] ZINC000290395846 522803776 /nfs/dbraw/zinc/80/37/76/522803776.db2.gz JCHPBZATHVWTEL-UHFFFAOYSA-N 0 1 279.771 2.764 20 10 CFCDMN CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(C)cc1O ZINC000280132151 522931398 /nfs/dbraw/zinc/93/13/98/522931398.db2.gz OZQWQNOPNOYZQT-WBVHZDCISA-N 0 1 298.386 2.968 20 10 CFCDMN COCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163756606 523174123 /nfs/dbraw/zinc/17/41/23/523174123.db2.gz ZOKPFEBYDFXIPX-UHFFFAOYSA-N 0 1 288.185 2.671 20 10 CFCDMN COCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000062032533 523228392 /nfs/dbraw/zinc/22/83/92/523228392.db2.gz HRHRFRQUTWSPEW-UHFFFAOYSA-N 0 1 285.771 2.717 20 10 CFCDMN CCn1cc(CNCc2ccc(OC)c(C)c2)cn1 ZINC000264827478 523384465 /nfs/dbraw/zinc/38/44/65/523384465.db2.gz HKOWBOAHOHHDJW-UHFFFAOYSA-N 0 1 259.353 2.510 20 10 CFCDMN COCCN(Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000193570283 523750410 /nfs/dbraw/zinc/75/04/10/523750410.db2.gz CEXPMLQMNSKJGN-UHFFFAOYSA-N 0 1 299.418 2.796 20 10 CFCDMN COC(=O)[C@H](C)N(Cc1cc(C)ccc1O)C1CCC1 ZINC000191644189 523878271 /nfs/dbraw/zinc/87/82/71/523878271.db2.gz VSJRKMNOBJSSGK-LBPRGKRZSA-N 0 1 277.364 2.617 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281667377 523996863 /nfs/dbraw/zinc/99/68/63/523996863.db2.gz LGLHGDPSIDKNOM-YGRLFVJLSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281667377 523996869 /nfs/dbraw/zinc/99/68/69/523996869.db2.gz LGLHGDPSIDKNOM-YGRLFVJLSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281667377 523996872 /nfs/dbraw/zinc/99/68/72/523996872.db2.gz LGLHGDPSIDKNOM-YGRLFVJLSA-N 0 1 295.354 2.733 20 10 CFCDMN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000292944237 524226792 /nfs/dbraw/zinc/22/67/92/524226792.db2.gz IBLVURPPGIECFQ-HZMBPMFUSA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1cc(CN[C@@H](C)c2cc(F)ccc2O)on1 ZINC000094617999 524764271 /nfs/dbraw/zinc/76/42/71/524764271.db2.gz PHZAQHASYADERO-VIFPVBQESA-N 0 1 250.273 2.679 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185386621 525556545 /nfs/dbraw/zinc/55/65/45/525556545.db2.gz WGGYTOWSABDYKG-GXSJLCMTSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@]1(O)CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000279578859 525883220 /nfs/dbraw/zinc/88/32/20/525883220.db2.gz BGUZIBSOKMVIOW-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000279578859 525883225 /nfs/dbraw/zinc/88/32/25/525883225.db2.gz BGUZIBSOKMVIOW-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C)c2ncnn2C)c(O)c1C ZINC000276669147 525942852 /nfs/dbraw/zinc/94/28/52/525942852.db2.gz RNZGJEOXZLEHLH-NWDGAFQWSA-N 0 1 274.368 2.549 20 10 CFCDMN Cc1cnn([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC000290841477 526267192 /nfs/dbraw/zinc/26/71/92/526267192.db2.gz IIBUJNAIICZCOG-GFCCVEGCSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC000290841477 526267193 /nfs/dbraw/zinc/26/71/93/526267193.db2.gz IIBUJNAIICZCOG-GFCCVEGCSA-N 0 1 291.782 2.998 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000293872528 526333358 /nfs/dbraw/zinc/33/33/58/526333358.db2.gz JECUQVQSXDCMFG-LLVKDONJSA-N 0 1 295.745 2.828 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365839750 526344236 /nfs/dbraw/zinc/34/42/36/526344236.db2.gz VOQWQGGAUMHXOI-SNVBAGLBSA-N 0 1 295.745 2.828 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H](C)O1 ZINC000732183986 574145181 /nfs/dbraw/zinc/14/51/81/574145181.db2.gz CFWDVLYKUDCJNU-TZMCWYRMSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H](C)O1 ZINC000732183986 574145183 /nfs/dbraw/zinc/14/51/83/574145183.db2.gz CFWDVLYKUDCJNU-TZMCWYRMSA-N 0 1 286.375 2.940 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCO1 ZINC000738060289 574157028 /nfs/dbraw/zinc/15/70/28/574157028.db2.gz DXVIKXAROZIJIJ-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCO1 ZINC000738060289 574157029 /nfs/dbraw/zinc/15/70/29/574157029.db2.gz DXVIKXAROZIJIJ-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN Cc1cc(O)c(C[N@H+](CCC(=O)[O-])C(C)C)cc1C ZINC000738463891 574170166 /nfs/dbraw/zinc/17/01/66/574170166.db2.gz SFNGGUIHXAKJPB-UHFFFAOYSA-N 0 1 265.353 2.694 20 10 CFCDMN CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360402 574209934 /nfs/dbraw/zinc/20/99/34/574209934.db2.gz UWTUAOOBNHZERI-ZDUSSCGKSA-N 0 1 292.379 2.604 20 10 CFCDMN CC(C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(=O)[O-] ZINC000756310297 574224488 /nfs/dbraw/zinc/22/44/88/574224488.db2.gz RIGCNYUXYQPFRV-UHFFFAOYSA-N 0 1 289.734 2.775 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000756531972 574244203 /nfs/dbraw/zinc/24/42/03/574244203.db2.gz CEBVPJZBDBDMEJ-GXSJLCMTSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2nccn2C)c2c1c(F)ccc2O ZINC000756539709 574244841 /nfs/dbraw/zinc/24/48/41/574244841.db2.gz SBFDACJGGWYLTG-MWLCHTKSSA-N 0 1 275.327 2.603 20 10 CFCDMN C[C@@H]1C[C@H](NCc2nccn2C)c2c1c(F)ccc2O ZINC000756539708 574245167 /nfs/dbraw/zinc/24/51/67/574245167.db2.gz SBFDACJGGWYLTG-KOLCDFICSA-N 0 1 275.327 2.603 20 10 CFCDMN CC(=O)NCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613366 574249391 /nfs/dbraw/zinc/24/93/91/574249391.db2.gz PKFURYXBCPHMCE-UHFFFAOYSA-N 0 1 290.407 2.663 20 10 CFCDMN CC(=O)NCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613366 574249394 /nfs/dbraw/zinc/24/93/94/574249394.db2.gz PKFURYXBCPHMCE-UHFFFAOYSA-N 0 1 290.407 2.663 20 10 CFCDMN CCc1cc(CN[C@H](C)c2cc(OC)ccc2O)on1 ZINC000756604147 574251906 /nfs/dbraw/zinc/25/19/06/574251906.db2.gz DMKOIMFBNUBMMS-SNVBAGLBSA-N 0 1 276.336 2.802 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc2ccccc2c1[O-] ZINC000756639344 574254464 /nfs/dbraw/zinc/25/44/64/574254464.db2.gz XDRWKGSDCQEDMC-MLGOLLRUSA-N 0 1 298.386 2.817 20 10 CFCDMN C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000756704407 574258337 /nfs/dbraw/zinc/25/83/37/574258337.db2.gz NGSZGQPAKLAVMH-BMQDGWLCSA-N 0 1 296.798 2.740 20 10 CFCDMN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756741187 574260432 /nfs/dbraw/zinc/26/04/32/574260432.db2.gz VZAZIFLJFISLCL-NOZJJQNGSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2ccn(C)n2)c2c1c(F)ccc2O ZINC000756776969 574262280 /nfs/dbraw/zinc/26/22/80/574262280.db2.gz FEHFNOAGWWYREI-BXKDBHETSA-N 0 1 275.327 2.603 20 10 CFCDMN CCc1nnc([C@H](C)N[C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000756777453 574262386 /nfs/dbraw/zinc/26/23/86/574262386.db2.gz IOSLLGZSQREKRX-MNOVXSKESA-N 0 1 274.368 2.793 20 10 CFCDMN COc1ccc(CN[C@H](CO)c2cccc(F)c2)cc1C ZINC000734847348 574303919 /nfs/dbraw/zinc/30/39/19/574303919.db2.gz KEGZQWGYSATRLU-MRXNPFEDSA-N 0 1 289.350 2.966 20 10 CFCDMN C[C@H]1CCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000742386384 574327451 /nfs/dbraw/zinc/32/74/51/574327451.db2.gz COROSPRISPWOPB-NSHDSACASA-N 0 1 268.788 2.620 20 10 CFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1O)CCCC2 ZINC000833497196 604543992 /nfs/dbraw/zinc/54/39/92/604543992.db2.gz UKENRSWEVXABEV-UHFFFAOYSA-N 0 1 291.391 2.956 20 10 CFCDMN COc1cccc(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833735541 604637365 /nfs/dbraw/zinc/63/73/65/604637365.db2.gz MKGHDPRRGCMASA-UHFFFAOYSA-N 0 1 299.326 2.615 20 10 CFCDMN COc1cccc(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833735541 604637368 /nfs/dbraw/zinc/63/73/68/604637368.db2.gz MKGHDPRRGCMASA-UHFFFAOYSA-N 0 1 299.326 2.615 20 10 CFCDMN O=C([O-])NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000834221349 605556214 /nfs/dbraw/zinc/55/62/14/605556214.db2.gz RMWKUOXUOVJPGP-SNVBAGLBSA-N 0 1 298.770 2.525 20 10 CFCDMN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760175 617836964 /nfs/dbraw/zinc/83/69/64/617836964.db2.gz KVVDUXKTLNMAJA-PHIMTYICSA-N 0 1 296.798 2.535 20 10 CFCDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760175 617836974 /nfs/dbraw/zinc/83/69/74/617836974.db2.gz KVVDUXKTLNMAJA-PHIMTYICSA-N 0 1 296.798 2.535 20 10 CFCDMN COc1ccc(CN(C)Cc2ccco2)c(O)c1OC ZINC000891487649 617633484 /nfs/dbraw/zinc/63/34/84/617633484.db2.gz MODGASVWTYPZQH-UHFFFAOYSA-N 0 1 277.320 2.634 20 10 CFCDMN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893183 618125508 /nfs/dbraw/zinc/12/55/08/618125508.db2.gz UQZLYHXZZLNRND-GHMZBOCLSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893183 618125510 /nfs/dbraw/zinc/12/55/10/618125510.db2.gz UQZLYHXZZLNRND-GHMZBOCLSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840875257 618213110 /nfs/dbraw/zinc/21/31/10/618213110.db2.gz LCKBAOUILKJVJI-ZDUSSCGKSA-N 0 1 281.739 2.770 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCCF ZINC000309147712 618232198 /nfs/dbraw/zinc/23/21/98/618232198.db2.gz VRFOJBKGBMQNHS-UHFFFAOYSA-N 0 1 276.149 2.994 20 10 CFCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894095989 618321862 /nfs/dbraw/zinc/32/18/62/618321862.db2.gz SUNCCGCTTLJDGZ-ZDUSSCGKSA-N 0 1 285.334 2.917 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000895150212 618392823 /nfs/dbraw/zinc/39/28/23/618392823.db2.gz HUNGGIGQBZTPNK-GFCCVEGCSA-N 0 1 269.772 2.783 20 10 CFCDMN Oc1ccc(Cl)cc1CNCc1nccn1C1CC1 ZINC000895156084 618403182 /nfs/dbraw/zinc/40/31/82/618403182.db2.gz RMWMFLSVTIGXTG-UHFFFAOYSA-N 0 1 277.755 2.867 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000840908788 618422912 /nfs/dbraw/zinc/42/29/12/618422912.db2.gz XTSIEZPOUGDRKU-NSHDSACASA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000840908788 618422915 /nfs/dbraw/zinc/42/29/15/618422915.db2.gz XTSIEZPOUGDRKU-NSHDSACASA-N 0 1 269.772 2.558 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895439019 618586164 /nfs/dbraw/zinc/58/61/64/618586164.db2.gz SHRWNADRBOTEHS-CHWSQXEVSA-N 0 1 287.762 2.920 20 10 CFCDMN C[N@H+](Cc1ccns1)Cc1ccc(F)c(F)c1[O-] ZINC000895451934 618594207 /nfs/dbraw/zinc/59/42/07/618594207.db2.gz GFMWLSQLVICWFK-UHFFFAOYSA-N 0 1 270.304 2.759 20 10 CFCDMN C[N@@H+](Cc1ccns1)Cc1ccc(F)c(F)c1[O-] ZINC000895451934 618594214 /nfs/dbraw/zinc/59/42/14/618594214.db2.gz GFMWLSQLVICWFK-UHFFFAOYSA-N 0 1 270.304 2.759 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ncc(Cl)n2C)c1 ZINC000182321210 625283771 /nfs/dbraw/zinc/28/37/71/625283771.db2.gz CNKMJQGYOGTXIK-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000840890014 618723976 /nfs/dbraw/zinc/72/39/76/618723976.db2.gz KUDWFGQSFSFPNV-LLVKDONJSA-N 0 1 280.799 2.680 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000840890016 618723985 /nfs/dbraw/zinc/72/39/85/618723985.db2.gz KUDWFGQSFSFPNV-NSHDSACASA-N 0 1 280.799 2.680 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000840891009 618726713 /nfs/dbraw/zinc/72/67/13/618726713.db2.gz QBDDKSGNPACDSF-GXFFZTMASA-N 0 1 298.814 2.999 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000840898333 618851733 /nfs/dbraw/zinc/85/17/33/618851733.db2.gz DBPFXFMKDDBRCA-NEPJUHHUSA-N 0 1 283.799 2.995 20 10 CFCDMN CCC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000093508423 619033408 /nfs/dbraw/zinc/03/34/08/619033408.db2.gz CEXCPIFMPJXOIJ-INIZCTEOSA-N 0 1 262.397 2.754 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCOCC3(CC3)C2)c(Cl)c1 ZINC000840935886 619077099 /nfs/dbraw/zinc/07/70/99/619077099.db2.gz BRYSJIFSEKJTTA-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCOCC3(CC3)C2)c(Cl)c1 ZINC000840935886 619077101 /nfs/dbraw/zinc/07/71/01/619077101.db2.gz BRYSJIFSEKJTTA-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000894461593 619392606 /nfs/dbraw/zinc/39/26/06/619392606.db2.gz IVRCJONBEYQPNM-GFCCVEGCSA-N 0 1 279.290 2.731 20 10 CFCDMN C/C=C/C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894563772 619418397 /nfs/dbraw/zinc/41/83/97/619418397.db2.gz WKSHFCQOLYTCCO-MASHWEEQSA-N 0 1 299.317 2.658 20 10 CFCDMN COc1ccc(CN2CCC[C@](C)(F)C2)c(O)c1OC ZINC000894658451 619434945 /nfs/dbraw/zinc/43/49/45/619434945.db2.gz IARXTYVBNIZYPU-HNNXBMFYSA-N 0 1 283.343 2.733 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894745134 619454228 /nfs/dbraw/zinc/45/42/28/619454228.db2.gz AAUIADIDTOMQNZ-AUTCDRCXSA-N 0 1 295.329 2.526 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ocnc2C)c1 ZINC000894781663 619466184 /nfs/dbraw/zinc/46/61/84/619466184.db2.gz GZDUTEUXHLYACH-VIFPVBQESA-N 0 1 262.309 2.548 20 10 CFCDMN CCOC1CC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000894781816 619466215 /nfs/dbraw/zinc/46/62/15/619466215.db2.gz SABFUUCERRWFPN-UHFFFAOYSA-N 0 1 271.307 2.670 20 10 CFCDMN COc1cc(C)cc(CN[C@H](C)c2nccnc2C)c1O ZINC000895477228 619538280 /nfs/dbraw/zinc/53/82/80/619538280.db2.gz SMDZXWGGZYTNKD-GFCCVEGCSA-N 0 1 287.363 2.658 20 10 CFCDMN CN(C)c1ccc(CN2CCC(F)CC2)cc1F ZINC000895550814 619553459 /nfs/dbraw/zinc/55/34/59/619553459.db2.gz SZQAXOZZSUVRLO-UHFFFAOYSA-N 0 1 254.324 2.826 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](CF)C1 ZINC000895573197 619557398 /nfs/dbraw/zinc/55/73/98/619557398.db2.gz OHXKLSPRVQQOKZ-QMMMGPOBSA-N 0 1 261.699 2.976 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@H](CF)C2)cc1F ZINC000895567765 619560078 /nfs/dbraw/zinc/56/00/78/619560078.db2.gz KEAJEQPMDZUKHN-SNVBAGLBSA-N 0 1 272.314 2.822 20 10 CFCDMN C[C@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000895731072 619593264 /nfs/dbraw/zinc/59/32/64/619593264.db2.gz VFYKNTAHVRNAJI-YFKPBYRVSA-N 0 1 253.651 2.928 20 10 CFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845777 619621166 /nfs/dbraw/zinc/62/11/66/619621166.db2.gz IZXNGQJOKZODDL-NHYWBVRUSA-N 0 1 265.328 2.532 20 10 CFCDMN COC(=O)C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000896471900 619741481 /nfs/dbraw/zinc/74/14/81/619741481.db2.gz GUYRDEBTANDWSK-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000896471900 619741485 /nfs/dbraw/zinc/74/14/85/619741485.db2.gz GUYRDEBTANDWSK-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000896491823 619745033 /nfs/dbraw/zinc/74/50/33/619745033.db2.gz BMZHHCSIAYBIPK-ZDUSSCGKSA-N 0 1 271.364 2.505 20 10 CFCDMN C[C@@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCN1C ZINC000896555918 619762029 /nfs/dbraw/zinc/76/20/29/619762029.db2.gz RZSBKSRWLJEILZ-WBMJQRKESA-N 0 1 270.376 2.728 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCO[C@@H](C)CC2)c(Cl)c1 ZINC000896577462 619765554 /nfs/dbraw/zinc/76/55/54/619765554.db2.gz LUBPOLNBRNQDOK-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCO[C@@H](C)CC2)c(Cl)c1 ZINC000896577462 619765556 /nfs/dbraw/zinc/76/55/56/619765556.db2.gz LUBPOLNBRNQDOK-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2ccccc2F)ccc1O ZINC000148426330 620088467 /nfs/dbraw/zinc/08/84/67/620088467.db2.gz KUDLRTCETVJKAZ-UHFFFAOYSA-N 0 1 281.308 2.641 20 10 CFCDMN Cc1cccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000840997879 620116607 /nfs/dbraw/zinc/11/66/07/620116607.db2.gz SINJKCNTFBBSJA-QEJZJMRPSA-N 0 1 289.375 2.918 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(Cl)c1 ZINC000897813273 620282462 /nfs/dbraw/zinc/28/24/62/620282462.db2.gz JJBJDDAXJCFIHO-ZFKHPNDBSA-N 0 1 279.767 2.619 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CC23CC(O)C3)ccc2ccccc21 ZINC000897844119 620292581 /nfs/dbraw/zinc/29/25/81/620292581.db2.gz LUSPVFYJYKANKK-GNHJJJEISA-N 0 1 269.344 2.548 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172493 620343068 /nfs/dbraw/zinc/34/30/68/620343068.db2.gz LCBRYBSNPLCBFI-UHFFFAOYSA-N 0 1 291.778 2.870 20 10 CFCDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000898279676 620363957 /nfs/dbraw/zinc/36/39/57/620363957.db2.gz IVBXHEMLLKFCQA-LBPRGKRZSA-N 0 1 296.798 2.535 20 10 CFCDMN C[C@@H](NCc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902501039 621106019 /nfs/dbraw/zinc/10/60/19/621106019.db2.gz ZTZAUZONTPVPRH-SSDOTTSWSA-N 0 1 283.784 2.935 20 10 CFCDMN CCc1cc(C[N@H+]2CC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629997 621138698 /nfs/dbraw/zinc/13/86/98/621138698.db2.gz LXSXUJDSFROVNQ-CQSZACIVSA-N 0 1 277.408 2.819 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Br)cc1[O-] ZINC000903317102 621330221 /nfs/dbraw/zinc/33/02/21/621330221.db2.gz JPXQFOAMFJCPJW-KOLCDFICSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@@H](NCc1cn(C)cn1)c1cc2c(cc1O)CCCC2 ZINC000903351338 621342875 /nfs/dbraw/zinc/34/28/75/621342875.db2.gz JVAANIPHWVCLFZ-GFCCVEGCSA-N 0 1 285.391 2.855 20 10 CFCDMN COCCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000151212292 622863399 /nfs/dbraw/zinc/86/33/99/622863399.db2.gz LFOJTKCZNDIBQB-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN CCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045690941 623012903 /nfs/dbraw/zinc/01/29/03/623012903.db2.gz SPSHQRMRBKTBCE-LLVKDONJSA-N 0 1 270.804 2.866 20 10 CFCDMN CC[S@](=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168765571 623103019 /nfs/dbraw/zinc/10/30/19/623103019.db2.gz XULLTRWRCOPBEY-FKIZINRSSA-N 0 1 291.416 2.965 20 10 CFCDMN CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168765479 623103145 /nfs/dbraw/zinc/10/31/45/623103145.db2.gz XULLTRWRCOPBEY-YUNKPMOVSA-N 0 1 291.416 2.965 20 10 CFCDMN CC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230222115 623264813 /nfs/dbraw/zinc/26/48/13/623264813.db2.gz GWPDGGVXZHDKOA-ZDUSSCGKSA-N 0 1 257.761 2.686 20 10 CFCDMN C[C@@]1(F)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824471690 623510000 /nfs/dbraw/zinc/51/00/00/623510000.db2.gz GAVKBSKZNPTRAA-QGZVFWFLSA-N 0 1 292.398 2.847 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CC(N)=O)C2CCCC2)cc1Cl ZINC000824555507 623522772 /nfs/dbraw/zinc/52/27/72/623522772.db2.gz GZMGYLJVUBLQKU-UHFFFAOYSA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CC(N)=O)C2CCCC2)cc1Cl ZINC000824555507 623522775 /nfs/dbraw/zinc/52/27/75/623522775.db2.gz GZMGYLJVUBLQKU-UHFFFAOYSA-N 0 1 296.798 2.584 20 10 CFCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824560240 623524006 /nfs/dbraw/zinc/52/40/06/623524006.db2.gz DPSXFIWZUUPIMH-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824560240 623524012 /nfs/dbraw/zinc/52/40/12/623524012.db2.gz DPSXFIWZUUPIMH-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)cc1Cl ZINC000824720344 623552579 /nfs/dbraw/zinc/55/25/79/623552579.db2.gz PKUYVZBZNFKIDV-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)C2)cc1Cl ZINC000824720344 623552584 /nfs/dbraw/zinc/55/25/84/623552584.db2.gz PKUYVZBZNFKIDV-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc(O)c(CN2CCc3cn[nH]c3C2)cc1Cl ZINC000824848799 623577002 /nfs/dbraw/zinc/57/70/02/623577002.db2.gz BAPREWRAOOHIPT-UHFFFAOYSA-N 0 1 277.755 2.635 20 10 CFCDMN CC[C@@H]1CN(CC)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000825005100 623603043 /nfs/dbraw/zinc/60/30/43/623603043.db2.gz DCBVJULFDPEPFU-CYBMUJFWSA-N 0 1 282.815 2.962 20 10 CFCDMN CC[C@@H]1CN(CC)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000825005100 623603051 /nfs/dbraw/zinc/60/30/51/623603051.db2.gz DCBVJULFDPEPFU-CYBMUJFWSA-N 0 1 282.815 2.962 20 10 CFCDMN CCOc1cccc(CN[C@H](C)c2nccn2CC)c1O ZINC000825004933 623603845 /nfs/dbraw/zinc/60/38/45/623603845.db2.gz AJVCWKHNYNUUDG-GFCCVEGCSA-N 0 1 289.379 2.858 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2cc(F)ccc2O)c2nccn21 ZINC000825016535 623606284 /nfs/dbraw/zinc/60/62/84/623606284.db2.gz DLXVDJZNKQUUFV-BXKDBHETSA-N 0 1 261.300 2.523 20 10 CFCDMN CCOc1ccc(CN[C@@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000825017133 623608186 /nfs/dbraw/zinc/60/81/86/623608186.db2.gz MIGBZLADSZZJLU-SMDDNHRTSA-N 0 1 287.363 2.783 20 10 CFCDMN COCC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825179577 623645293 /nfs/dbraw/zinc/64/52/93/623645293.db2.gz ZKKFCUCUPVKAAE-SNVBAGLBSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C2CC2)cc1Cl ZINC000825258765 623660547 /nfs/dbraw/zinc/66/05/47/623660547.db2.gz FBUYYWPWBNSVQD-CQSZACIVSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCOC2)cc1Cl ZINC000825284361 623664847 /nfs/dbraw/zinc/66/48/47/623664847.db2.gz YVZQZJDPPKYVPT-CQSZACIVSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1Cl ZINC000825297744 623666070 /nfs/dbraw/zinc/66/60/70/623666070.db2.gz MQHNIZOJDBJRGQ-DGCLKSJQSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1Cl ZINC000825297743 623666090 /nfs/dbraw/zinc/66/60/90/623666090.db2.gz MQHNIZOJDBJRGQ-AAEUAGOBSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)C(C)C)cc1Cl ZINC000825308507 623667970 /nfs/dbraw/zinc/66/79/70/623667970.db2.gz ALHHLDHGQHHOHE-CYBMUJFWSA-N 0 1 271.788 2.851 20 10 CFCDMN CC(C)[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Cl)C1 ZINC000825332006 623673973 /nfs/dbraw/zinc/67/39/73/623673973.db2.gz PXVZDZNDVOJLMG-LBPRGKRZSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Cl)C1 ZINC000825332006 623673978 /nfs/dbraw/zinc/67/39/78/623673978.db2.gz PXVZDZNDVOJLMG-LBPRGKRZSA-N 0 1 282.815 2.960 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338189 623677300 /nfs/dbraw/zinc/67/73/00/623677300.db2.gz NHYYALJCFRERBC-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825365713 623681372 /nfs/dbraw/zinc/68/13/72/623681372.db2.gz LJYFQNLULVCIJE-ZDUSSCGKSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC[C@H]2C)cc1Cl ZINC000825430190 623692303 /nfs/dbraw/zinc/69/23/03/623692303.db2.gz UGMSTKANHYXRAW-GFCCVEGCSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@](C)(CO)C2CC2)cc1Cl ZINC000825435698 623693410 /nfs/dbraw/zinc/69/34/10/623693410.db2.gz HGYGDXAEUDQCQB-CQSZACIVSA-N 0 1 269.772 2.605 20 10 CFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@H]1OC ZINC000825513264 623707182 /nfs/dbraw/zinc/70/71/82/623707182.db2.gz GBDNBIAEAZSJOQ-BPLDGKMQSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1Cl ZINC000825566901 623716517 /nfs/dbraw/zinc/71/65/17/623716517.db2.gz BTOAISKKALGKEI-GWCFXTLKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1Cl ZINC000825566901 623716521 /nfs/dbraw/zinc/71/65/21/623716521.db2.gz BTOAISKKALGKEI-GWCFXTLKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1Cl ZINC000825566903 623716930 /nfs/dbraw/zinc/71/69/30/623716930.db2.gz BTOAISKKALGKEI-MFKMUULPSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1Cl ZINC000825566903 623716938 /nfs/dbraw/zinc/71/69/38/623716938.db2.gz BTOAISKKALGKEI-MFKMUULPSA-N 0 1 269.772 2.557 20 10 CFCDMN COCC[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825715898 623746209 /nfs/dbraw/zinc/74/62/09/623746209.db2.gz JIDBPHBVIKFXOK-OAHLLOKOSA-N 0 1 299.798 2.639 20 10 CFCDMN CC1CN(Cc2ccc(Br)cc2O)C1 ZINC000825745059 623749965 /nfs/dbraw/zinc/74/99/65/623749965.db2.gz UTIPAEZKYBGZAV-UHFFFAOYSA-N 0 1 256.143 2.606 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC000826017156 623783010 /nfs/dbraw/zinc/78/30/10/623783010.db2.gz OWDMGFZKXRNBFZ-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC000826017156 623783012 /nfs/dbraw/zinc/78/30/12/623783012.db2.gz OWDMGFZKXRNBFZ-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826030207 623784500 /nfs/dbraw/zinc/78/45/00/623784500.db2.gz SGKSHZPNKAQAIA-NSHDSACASA-N 0 1 257.761 2.557 20 10 CFCDMN CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826030207 623784505 /nfs/dbraw/zinc/78/45/05/623784505.db2.gz SGKSHZPNKAQAIA-NSHDSACASA-N 0 1 257.761 2.557 20 10 CFCDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826030207 623784508 /nfs/dbraw/zinc/78/45/08/623784508.db2.gz SGKSHZPNKAQAIA-NSHDSACASA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCCCO)cc1Cl ZINC000826043032 623786395 /nfs/dbraw/zinc/78/63/95/623786395.db2.gz DBEHKXVTDVWDOV-LLVKDONJSA-N 0 1 271.788 2.995 20 10 CFCDMN CCn1ccc(CNCc2cc(Cl)c(C)cc2O)n1 ZINC000826120458 623795845 /nfs/dbraw/zinc/79/58/45/623795845.db2.gz DNPPWHGRQPLHGL-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN Cc1cc(O)c(CN(C)Cc2cnc[nH]2)c(Cl)c1 ZINC000826768545 623869827 /nfs/dbraw/zinc/86/98/27/623869827.db2.gz CHUROHAYUPITQD-UHFFFAOYSA-N 0 1 265.744 2.709 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000834826609 623899551 /nfs/dbraw/zinc/89/95/51/623899551.db2.gz FRLXXAJCEPHRFV-GMSGAONNSA-N 0 1 274.267 2.995 20 10 CFCDMN C[C@]1(C2CC2)CN(Cc2cc(F)ccc2O)CCO1 ZINC000826877881 623901010 /nfs/dbraw/zinc/90/10/10/623901010.db2.gz MWSKDIRVJOEBLL-OAHLLOKOSA-N 0 1 265.328 2.532 20 10 CFCDMN COCCC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000826899413 623905378 /nfs/dbraw/zinc/90/53/78/623905378.db2.gz NAUFQTIFHCDEJR-UHFFFAOYSA-N 0 1 285.771 2.523 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827017716 623925274 /nfs/dbraw/zinc/92/52/74/623925274.db2.gz JCZXOKIYTVBSTP-GASCZTMLSA-N 0 1 281.783 2.904 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827017716 623925275 /nfs/dbraw/zinc/92/52/75/623925275.db2.gz JCZXOKIYTVBSTP-GASCZTMLSA-N 0 1 281.783 2.904 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827018586 623925660 /nfs/dbraw/zinc/92/56/60/623925660.db2.gz YZFCLMOMQWMNHW-GASCZTMLSA-N 0 1 281.783 2.904 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827018586 623925665 /nfs/dbraw/zinc/92/56/65/623925665.db2.gz YZFCLMOMQWMNHW-GASCZTMLSA-N 0 1 281.783 2.904 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c(Cl)c1 ZINC000827147706 623953623 /nfs/dbraw/zinc/95/36/23/623953623.db2.gz VTAYNUNCNGKMID-QWRGUYRKSA-N 0 1 283.799 2.803 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc2ccccc21 ZINC000827366134 623993577 /nfs/dbraw/zinc/99/35/77/623993577.db2.gz RYJZLIJYPCFWBS-CVEARBPZSA-N 0 1 283.371 2.939 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc2ccccc21 ZINC000827366135 623993873 /nfs/dbraw/zinc/99/38/73/623993873.db2.gz RYJZLIJYPCFWBS-HOTGVXAUSA-N 0 1 283.371 2.939 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507055 624020385 /nfs/dbraw/zinc/02/03/85/624020385.db2.gz SJQIKWWPJVRWMZ-ONGXEEELSA-N 0 1 282.181 2.997 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CCC(O)CC2)cc1Cl ZINC000827515404 624020660 /nfs/dbraw/zinc/02/06/60/624020660.db2.gz FNJSQLIZAKMWCG-UHFFFAOYSA-N 0 1 283.799 2.995 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507619 624020907 /nfs/dbraw/zinc/02/09/07/624020907.db2.gz YDXPVWMFDWVEOK-ONGXEEELSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507619 624020913 /nfs/dbraw/zinc/02/09/13/624020913.db2.gz YDXPVWMFDWVEOK-ONGXEEELSA-N 0 1 282.181 2.997 20 10 CFCDMN CCCC[N@@H+](CC[C@H](C)O)Cc1ccccc1O ZINC000829516004 624450601 /nfs/dbraw/zinc/45/06/01/624450601.db2.gz MCCXVIUBTLQTHW-ZDUSSCGKSA-N 0 1 251.370 2.765 20 10 CFCDMN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000237711466 624973680 /nfs/dbraw/zinc/97/36/80/624973680.db2.gz VMAIZLWKPMUJLM-UHFFFAOYSA-N 0 1 282.318 2.922 20 10 CFCDMN CCc1nc(CN[C@H]2CCc3cccc(O)c32)co1 ZINC000834898516 625913053 /nfs/dbraw/zinc/91/30/53/625913053.db2.gz KWSZBYIJELEBIM-LBPRGKRZSA-N 0 1 258.321 2.720 20 10 CFCDMN C[C@@H]([NH2+]CCC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000834897232 625913562 /nfs/dbraw/zinc/91/35/62/625913562.db2.gz RPISUNIVEHRLPD-SNVBAGLBSA-N 0 1 269.772 2.859 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834902426 625916311 /nfs/dbraw/zinc/91/63/11/625916311.db2.gz AQVPGMWZICOJGH-GAJTVXKRSA-N 0 1 285.771 2.500 20 10 CFCDMN COc1cccnc1CN[C@H]1CCc2cccc(O)c21 ZINC000834906733 625919406 /nfs/dbraw/zinc/91/94/06/625919406.db2.gz SZWPAKZUFNMIRU-LBPRGKRZSA-N 0 1 270.332 2.573 20 10 CFCDMN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc2ccccc2c1[O-] ZINC000834908089 625919851 /nfs/dbraw/zinc/91/98/51/625919851.db2.gz GVVJFBYYVQHQQO-XIKOKIGWSA-N 0 1 298.386 2.865 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834912277 625920399 /nfs/dbraw/zinc/92/03/99/625920399.db2.gz CAVQLEJVCQPVQL-XTWCZFFVSA-N 0 1 255.745 2.610 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cn[nH]c1 ZINC000921937233 626180549 /nfs/dbraw/zinc/18/05/49/626180549.db2.gz ZDOKOLFEGUPDEY-LLVKDONJSA-N 0 1 257.337 2.586 20 10 CFCDMN COc1ccncc1CNCc1ccc2c(c1)CCCO2 ZINC000922144590 626217319 /nfs/dbraw/zinc/21/73/19/626217319.db2.gz JAYMJLSOEXQGPQ-UHFFFAOYSA-N 0 1 284.359 2.705 20 10 CFCDMN Cc1nn(C)c(CN[C@@H](C)c2ccccc2O)c1Cl ZINC000922330150 626271812 /nfs/dbraw/zinc/27/18/12/626271812.db2.gz UKWZEAVOIBYFPN-VIFPVBQESA-N 0 1 279.771 2.938 20 10 CFCDMN Cc1nn(C)c(CN[C@H](C)c2ccccc2O)c1Cl ZINC000922330149 626271854 /nfs/dbraw/zinc/27/18/54/626271854.db2.gz UKWZEAVOIBYFPN-SECBINFHSA-N 0 1 279.771 2.938 20 10 CFCDMN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342466 626422703 /nfs/dbraw/zinc/42/27/03/626422703.db2.gz YDQFGNPJZGDZPJ-HZMBPMFUSA-N 0 1 271.788 2.932 20 10 CFCDMN CCCCN(Cc1cnnn1CC)Cc1ccccc1O ZINC000838982749 626518508 /nfs/dbraw/zinc/51/85/08/626518508.db2.gz GPOVPWMTEJYIMB-UHFFFAOYSA-N 0 1 288.395 2.806 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccn(C)n2)c1 ZINC000839193070 626530961 /nfs/dbraw/zinc/53/09/61/626530961.db2.gz YEFRVBNQUGVKDO-WDEREUQCSA-N 0 1 275.352 2.546 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000757653639 626557227 /nfs/dbraw/zinc/55/72/27/626557227.db2.gz ATOJLTITVJUWMD-LPEHRKFASA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000757653641 626557197 /nfs/dbraw/zinc/55/71/97/626557197.db2.gz ATOJLTITVJUWMD-UTLUCORTSA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760036264 626710966 /nfs/dbraw/zinc/71/09/66/626710966.db2.gz FCTSIXLUDXQLBU-CBAPKCEASA-N 0 1 279.714 2.712 20 10 CFCDMN CC1(CO)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000762791643 626937737 /nfs/dbraw/zinc/93/77/37/626937737.db2.gz SZOMGAMMGKAEOS-UHFFFAOYSA-N 0 1 269.772 2.640 20 10 CFCDMN CCCN(Cc1cc(C)n(C)n1)Cc1ccccc1O ZINC000767894143 627292494 /nfs/dbraw/zinc/29/24/94/627292494.db2.gz SXPIIWXNYJHONF-UHFFFAOYSA-N 0 1 273.380 2.846 20 10 CFCDMN CC(C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768175783 627323364 /nfs/dbraw/zinc/32/33/64/627323364.db2.gz VWIRMHQVNRZXRW-UHFFFAOYSA-N 0 1 278.179 2.902 20 10 CFCDMN CC(C)N(Cc1cc[nH]n1)Cc1ccc(N(C)C)cc1 ZINC000768357478 627336222 /nfs/dbraw/zinc/33/62/22/627336222.db2.gz LFEUWXYMWQRHKL-UHFFFAOYSA-N 0 1 272.396 2.886 20 10 CFCDMN C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768441394 627343010 /nfs/dbraw/zinc/34/30/10/627343010.db2.gz KWYWFOKHMMCGDM-FFSVYQOJSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768441394 627343012 /nfs/dbraw/zinc/34/30/12/627343012.db2.gz KWYWFOKHMMCGDM-FFSVYQOJSA-N 0 1 291.391 2.829 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768439409 627343172 /nfs/dbraw/zinc/34/31/72/627343172.db2.gz LGXKFGBNUQWGGF-OAHLLOKOSA-N 0 1 277.364 2.583 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768439409 627343175 /nfs/dbraw/zinc/34/31/75/627343175.db2.gz LGXKFGBNUQWGGF-OAHLLOKOSA-N 0 1 277.364 2.583 20 10 CFCDMN CCOC(=O)C[N@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000768531240 627350972 /nfs/dbraw/zinc/35/09/72/627350972.db2.gz VVOPDTDMEIATGK-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN CCOC(=O)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000768531240 627350977 /nfs/dbraw/zinc/35/09/77/627350977.db2.gz VVOPDTDMEIATGK-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN CCC[C@H]1CN(Cc2ccc(OCC)cc2O)CCO1 ZINC000769451946 627441130 /nfs/dbraw/zinc/44/11/30/627441130.db2.gz QGFQDQNAWNAOLX-HNNXBMFYSA-N 0 1 279.380 2.792 20 10 CFCDMN COCCOC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769506104 627448910 /nfs/dbraw/zinc/44/89/10/627448910.db2.gz AHDQJBIMSNHTHU-GFCCVEGCSA-N 0 1 299.798 2.531 20 10 CFCDMN COCCOC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769506104 627448914 /nfs/dbraw/zinc/44/89/14/627448914.db2.gz AHDQJBIMSNHTHU-GFCCVEGCSA-N 0 1 299.798 2.531 20 10 CFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(C)nc1 ZINC000771533727 627611783 /nfs/dbraw/zinc/61/17/83/627611783.db2.gz QTLZHHGKNHNOKK-UHFFFAOYSA-N 0 1 284.407 2.873 20 10 CFCDMN CCN(C)c1ccc(CN2CCOCC2(C)C)cc1 ZINC000773748261 627853632 /nfs/dbraw/zinc/85/36/32/627853632.db2.gz CHIGFQFVSLRSLP-UHFFFAOYSA-N 0 1 262.397 2.754 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](C)Cc2cnn(CC)c2)cc1 ZINC000773757353 627855363 /nfs/dbraw/zinc/85/53/63/627855363.db2.gz PKHQVXCKQLZFKL-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN CCN(C)c1ccc(CN(C)Cc2cnn(CC)c2)cc1 ZINC000773757353 627855369 /nfs/dbraw/zinc/85/53/69/627855369.db2.gz PKHQVXCKQLZFKL-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN C[C@@H](N[C@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000774482476 627931557 /nfs/dbraw/zinc/93/15/57/627931557.db2.gz GMAICHUCOQTDSE-CHWSQXEVSA-N 0 1 270.380 2.954 20 10 CFCDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cnccn1 ZINC000774482481 627931567 /nfs/dbraw/zinc/93/15/67/627931567.db2.gz GMAICHUCOQTDSE-QWHCGFSZSA-N 0 1 270.380 2.954 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774834532 627968514 /nfs/dbraw/zinc/96/85/14/627968514.db2.gz GCMPLRYNDSKVSO-UHFFFAOYSA-N 0 1 282.340 2.787 20 10 CFCDMN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775484862 628030100 /nfs/dbraw/zinc/03/01/00/628030100.db2.gz KLOUQHPNIIRFNT-CABZTGNLSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@H]([NH2+]CCOCCOC)c1cc(Cl)ccc1[O-] ZINC000775488049 628031040 /nfs/dbraw/zinc/03/10/40/628031040.db2.gz GHGIVFVBFDSMLF-ZDUSSCGKSA-N 0 1 287.787 2.749 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000775508166 628032100 /nfs/dbraw/zinc/03/21/00/628032100.db2.gz AFXXBEUQKCERSO-DGCLKSJQSA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H]([NH2+]CC[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775506718 628032245 /nfs/dbraw/zinc/03/22/45/628032245.db2.gz CPEDTRZAPCZKCG-BXKDBHETSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775508423 628032548 /nfs/dbraw/zinc/03/25/48/628032548.db2.gz BSWRKXPSIWCNCC-JOYOIKCWSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775523208 628033585 /nfs/dbraw/zinc/03/35/85/628033585.db2.gz FFGZEQWAUPUPON-PWSUYJOCSA-N 0 1 255.745 2.875 20 10 CFCDMN CC[C@H]([NH2+]CCCn1ccnn1)c1cc(Cl)ccc1[O-] ZINC000775551044 628036052 /nfs/dbraw/zinc/03/60/52/628036052.db2.gz GVBNCIOHYPRPFI-ZDUSSCGKSA-N 0 1 294.786 2.768 20 10 CFCDMN CC[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)ccc1[O-] ZINC000775547248 628036369 /nfs/dbraw/zinc/03/63/69/628036369.db2.gz PEQXXRZAJXAZNI-ZDUSSCGKSA-N 0 1 296.798 2.613 20 10 CFCDMN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000775585650 628042881 /nfs/dbraw/zinc/04/28/81/628042881.db2.gz FTBODLZZYBYTRA-GFCCVEGCSA-N 0 1 284.787 2.565 20 10 CFCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000775647819 628049297 /nfs/dbraw/zinc/04/92/97/628049297.db2.gz BCBANBPNVRGHEU-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCCCO)C1CC1 ZINC000775701775 628056504 /nfs/dbraw/zinc/05/65/04/628056504.db2.gz MOZXUPHVURPBFX-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@H]1[C@H](C)OCCN1Cc1cc(Cl)cc(F)c1O ZINC000775701388 628056917 /nfs/dbraw/zinc/05/69/17/628056917.db2.gz UUADSOPTUAZARJ-BDAKNGLRSA-N 0 1 273.735 2.794 20 10 CFCDMN CC[N@H+]1C[C@H](C)N(Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775713975 628058899 /nfs/dbraw/zinc/05/88/99/628058899.db2.gz XZUWOIZMWKVMOE-NEPJUHHUSA-N 0 1 282.815 2.960 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775984935 628091236 /nfs/dbraw/zinc/09/12/36/628091236.db2.gz ILORRTKTMIUPLR-NXEZZACHSA-N 0 1 286.778 2.709 20 10 CFCDMN Cc1cc(O)c(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000777221045 628208743 /nfs/dbraw/zinc/20/87/43/628208743.db2.gz YBSKNAWYKTWGQN-ZDUSSCGKSA-N 0 1 292.423 2.744 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)c2c1c(F)ccc2[O-] ZINC000779084503 628350733 /nfs/dbraw/zinc/35/07/33/628350733.db2.gz FECHWCTUYLPMNR-PWSUYJOCSA-N 0 1 279.355 2.832 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783541306 628718900 /nfs/dbraw/zinc/71/89/00/628718900.db2.gz GHYVDHQDPSTRRO-XQQFMLRXSA-N 0 1 279.380 2.707 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167977 629404925 /nfs/dbraw/zinc/40/49/25/629404925.db2.gz VQOGZXZHFJLHAF-SECBINFHSA-N 0 1 273.735 2.653 20 10 CFCDMN CC[C@@]1(O)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179764 629406831 /nfs/dbraw/zinc/40/68/31/629406831.db2.gz MQFCNESJDVKRNT-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793255800 629515499 /nfs/dbraw/zinc/51/54/99/629515499.db2.gz CDJTYWNSGCCRJK-JTQLQIEISA-N 0 1 267.756 2.514 20 10 CFCDMN COc1ccc2c(c1)CCCN2Cc1n[nH]c(C(C)C)n1 ZINC000794272778 629629962 /nfs/dbraw/zinc/62/99/62/629629962.db2.gz YDUVRAVBJRTFIW-UHFFFAOYSA-N 0 1 286.379 2.890 20 10 CFCDMN COc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c(O)cc1C ZINC000794647362 629670722 /nfs/dbraw/zinc/67/07/22/629670722.db2.gz ONRDRMDTHDLQMO-SJKOYZFVSA-N 0 1 291.391 2.709 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000795670423 629820343 /nfs/dbraw/zinc/82/03/43/629820343.db2.gz HIJGWTOFOASCGU-BETUJISGSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000795670423 629820350 /nfs/dbraw/zinc/82/03/50/629820350.db2.gz HIJGWTOFOASCGU-BETUJISGSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000795670423 629820362 /nfs/dbraw/zinc/82/03/62/629820362.db2.gz HIJGWTOFOASCGU-BETUJISGSA-N 0 1 272.348 2.550 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000800529846 630394858 /nfs/dbraw/zinc/39/48/58/630394858.db2.gz HIUOZQWPZUWPMP-UHFFFAOYSA-N 0 1 281.783 2.904 20 10 CFCDMN CCCCN(Cc1ccccc1O)[C@@H](CC)C(=O)OC ZINC000801595519 630461263 /nfs/dbraw/zinc/46/12/63/630461263.db2.gz MSPVEQBMFUJIPC-AWEZNQCLSA-N 0 1 279.380 2.946 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)CO ZINC000801595063 630461396 /nfs/dbraw/zinc/46/13/96/630461396.db2.gz GDJUFNRUKIGDEL-CYBMUJFWSA-N 0 1 251.370 2.623 20 10 CFCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)CO ZINC000801595063 630461397 /nfs/dbraw/zinc/46/13/97/630461397.db2.gz GDJUFNRUKIGDEL-CYBMUJFWSA-N 0 1 251.370 2.623 20 10 CFCDMN CCOC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000040689773 649985801 /nfs/dbraw/zinc/98/58/01/649985801.db2.gz OMTMKKIYBIJVKF-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN CCOc1cccc(CNCc2csc(C)n2)c1O ZINC000041010320 649987750 /nfs/dbraw/zinc/98/77/50/649987750.db2.gz DBGBGFDAGMGVSI-UHFFFAOYSA-N 0 1 278.377 2.846 20 10 CFCDMN CC[C@@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839162 630912828 /nfs/dbraw/zinc/91/28/28/630912828.db2.gz ITDIJWOKSPQGGX-SNVBAGLBSA-N 0 1 292.162 2.740 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807839619 630912924 /nfs/dbraw/zinc/91/29/24/630912924.db2.gz QGZYCSFZSFTNNM-UHFFFAOYSA-N 0 1 260.120 2.725 20 10 CFCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000808431722 630990854 /nfs/dbraw/zinc/99/08/54/630990854.db2.gz LPRQTORMDCLSGI-LLVKDONJSA-N 0 1 272.251 2.578 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@H](C3CCC3)C2)c1O ZINC000840175378 631225167 /nfs/dbraw/zinc/22/51/67/631225167.db2.gz ISFVJRNUXGZGRG-INIZCTEOSA-N 0 1 291.391 2.710 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000840825750 631232430 /nfs/dbraw/zinc/23/24/30/631232430.db2.gz KOIRWAXRNAWOCL-JSGCOSHPSA-N 0 1 298.386 2.722 20 10 CFCDMN COCCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840876214 631247899 /nfs/dbraw/zinc/24/78/99/631247899.db2.gz ORDDJVIPFJGDRC-UHFFFAOYSA-N 0 1 257.761 2.870 20 10 CFCDMN CN(C)c1ccc(CNc2cnccc2-n2cccn2)cc1 ZINC000809631834 631251798 /nfs/dbraw/zinc/25/17/98/631251798.db2.gz JMHZWNWQNDTMJS-UHFFFAOYSA-N 0 1 293.374 2.945 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOc2cccnc2)c(Cl)c1 ZINC000840896632 631255459 /nfs/dbraw/zinc/25/54/59/631255459.db2.gz FRAGYSKIYGRXGA-UHFFFAOYSA-N 0 1 292.766 2.918 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(Cl)c1 ZINC000840899165 631255943 /nfs/dbraw/zinc/25/59/43/631255943.db2.gz LLHHXLIOQFGDNM-LLVKDONJSA-N 0 1 291.782 2.724 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC[C@H]2C)c(Cl)c1 ZINC000840900641 631256559 /nfs/dbraw/zinc/25/65/59/631256559.db2.gz CJEDCEKLEBOGAK-GFCCVEGCSA-N 0 1 282.815 2.928 20 10 CFCDMN CCc1ncc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000840908166 631258843 /nfs/dbraw/zinc/25/88/43/631258843.db2.gz OGDHHBVUXNRNCX-UHFFFAOYSA-N 0 1 284.407 2.737 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(Cl)c1 ZINC000840912252 631262914 /nfs/dbraw/zinc/26/29/14/631262914.db2.gz KJHSGVZUWMITNY-NSHDSACASA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2CC(N)=O)c(Cl)c1 ZINC000840912252 631262922 /nfs/dbraw/zinc/26/29/22/631262922.db2.gz KJHSGVZUWMITNY-NSHDSACASA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCn2cccn2)c(Cl)c1 ZINC000840916328 631264290 /nfs/dbraw/zinc/26/42/90/631264290.db2.gz ZUQLJHSRHUNXBA-UHFFFAOYSA-N 0 1 279.771 2.683 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCn2cccn2)c(Cl)c1 ZINC000840916328 631264293 /nfs/dbraw/zinc/26/42/93/631264293.db2.gz ZUQLJHSRHUNXBA-UHFFFAOYSA-N 0 1 279.771 2.683 20 10 CFCDMN Cc1cc(O)c(CN(C)CCn2cccn2)c(Cl)c1 ZINC000840916328 631264295 /nfs/dbraw/zinc/26/42/95/631264295.db2.gz ZUQLJHSRHUNXBA-UHFFFAOYSA-N 0 1 279.771 2.683 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840936816 631268547 /nfs/dbraw/zinc/26/85/47/631268547.db2.gz MSJXNNOYTDOQKQ-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840936816 631268550 /nfs/dbraw/zinc/26/85/50/631268550.db2.gz MSJXNNOYTDOQKQ-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950565 631278929 /nfs/dbraw/zinc/27/89/29/631278929.db2.gz LDWCPZFBCKCOEA-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950565 631278934 /nfs/dbraw/zinc/27/89/34/631278934.db2.gz LDWCPZFBCKCOEA-FZMZJTMJSA-N 0 1 283.799 2.947 20 10 CFCDMN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809767814 631284689 /nfs/dbraw/zinc/28/46/89/631284689.db2.gz UYRZJGDXVQOYCR-CYBMUJFWSA-N 0 1 271.788 2.884 20 10 CFCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809767814 631284694 /nfs/dbraw/zinc/28/46/94/631284694.db2.gz UYRZJGDXVQOYCR-CYBMUJFWSA-N 0 1 271.788 2.884 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1csnn1 ZINC000840976741 631292767 /nfs/dbraw/zinc/29/27/67/631292767.db2.gz QNQBYDIQJXDDEK-GFCCVEGCSA-N 0 1 290.436 2.633 20 10 CFCDMN CC(C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840998107 631297756 /nfs/dbraw/zinc/29/77/56/631297756.db2.gz HMPHISLNHFHHIZ-AATRIKPKSA-N 0 1 276.380 2.561 20 10 CFCDMN CC[C@@H](N)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841069657 631329663 /nfs/dbraw/zinc/32/96/63/631329663.db2.gz CIBWKNYRHVUPKG-SECBINFHSA-N 0 1 263.168 2.526 20 10 CFCDMN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000841748330 631464364 /nfs/dbraw/zinc/46/43/64/631464364.db2.gz KRTWZLKGLPASBT-ZWNOBZJWSA-N 0 1 296.798 2.706 20 10 CFCDMN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841748650 631464681 /nfs/dbraw/zinc/46/46/81/631464681.db2.gz LUQHNGQRNIFHKH-JQWIXIFHSA-N 0 1 296.798 2.706 20 10 CFCDMN Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC000841752451 631465851 /nfs/dbraw/zinc/46/58/51/631465851.db2.gz STVIYPJTIAFJKZ-VIFPVBQESA-N 0 1 279.771 2.938 20 10 CFCDMN COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756791 631466718 /nfs/dbraw/zinc/46/67/18/631466718.db2.gz KDRSVDVKVBETER-PWSUYJOCSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)cc1[O-] ZINC000841760910 631468863 /nfs/dbraw/zinc/46/88/63/631468863.db2.gz VXAIQAWURNGVHO-JBLDHEPKSA-N 0 1 267.756 2.633 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000812780511 631773247 /nfs/dbraw/zinc/77/32/47/631773247.db2.gz GVZFWAKBVJXEIY-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051231 631814961 /nfs/dbraw/zinc/81/49/61/631814961.db2.gz CGOBNSOFWQVTQD-RNCFNFMXSA-N 0 1 286.778 2.744 20 10 CFCDMN [NH3+]C[C@H]1c2ccccc2CCN1Cc1cccc(F)c1[O-] ZINC000843129997 631849235 /nfs/dbraw/zinc/84/92/35/631849235.db2.gz WKFXGUBTJAUJSC-INIZCTEOSA-N 0 1 286.350 2.589 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843428460 631955710 /nfs/dbraw/zinc/95/57/10/631955710.db2.gz JOSHURIJVDQEHR-AWEZNQCLSA-N 0 1 265.328 2.532 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843435249 631959484 /nfs/dbraw/zinc/95/94/84/631959484.db2.gz LJHWVDXDWLLYQN-CYBMUJFWSA-N 0 1 291.391 2.934 20 10 CFCDMN Cc1cc(CN2CCOC(C)(C)C2)ccc1N(C)C ZINC000815008179 632187198 /nfs/dbraw/zinc/18/71/98/632187198.db2.gz QRFPBYXJOIXKPT-UHFFFAOYSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc(CN2C[C@H](C)OC[C@H]2C)ccc1N(C)C ZINC000815011377 632187576 /nfs/dbraw/zinc/18/75/76/632187576.db2.gz LBABTTQXFMLBCR-KGLIPLIRSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(CN2CCO[C@H](C(C)C)C2)ccc1N(C)C ZINC000815087734 632198657 /nfs/dbraw/zinc/19/86/57/632198657.db2.gz NFNFMGSUCJTHOL-KRWDZBQOSA-N 0 1 276.424 2.918 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2ccn(C)n2)c(O)c1 ZINC000815598808 632295235 /nfs/dbraw/zinc/29/52/35/632295235.db2.gz CVEUHUMVSOWAJK-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN CCC[N@H+](CC(=O)NC)Cc1ccc2ccccc2c1[O-] ZINC000816495321 632469381 /nfs/dbraw/zinc/46/93/81/632469381.db2.gz SMFWWXZPXMDRBS-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN CCC[N@@H+](CC(=O)NC)Cc1ccc2ccccc2c1[O-] ZINC000816495321 632469386 /nfs/dbraw/zinc/46/93/86/632469386.db2.gz SMFWWXZPXMDRBS-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509219 632475169 /nfs/dbraw/zinc/47/51/69/632475169.db2.gz IFOHKEMPTKWKIF-OAHLLOKOSA-N 0 1 298.386 2.503 20 10 CFCDMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509219 632475176 /nfs/dbraw/zinc/47/51/76/632475176.db2.gz IFOHKEMPTKWKIF-OAHLLOKOSA-N 0 1 298.386 2.503 20 10 CFCDMN O=C(CCC[NH2+]Cc1ccc2ccccc2c1[O-])NC1CC1 ZINC000816535270 632479061 /nfs/dbraw/zinc/47/90/61/632479061.db2.gz KRAARBUQHOOBOC-UHFFFAOYSA-N 0 1 298.386 2.694 20 10 CFCDMN C[C@H](Cn1cccn1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534565 632479142 /nfs/dbraw/zinc/47/91/42/632479142.db2.gz NRFWXAOHVCTXKA-CYBMUJFWSA-N 0 1 281.359 2.920 20 10 CFCDMN C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537059 632480988 /nfs/dbraw/zinc/48/09/88/632480988.db2.gz REBMNCIVGZTWMC-ZDUSSCGKSA-N 0 1 298.386 2.646 20 10 CFCDMN C[C@H](CCCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558330 632484420 /nfs/dbraw/zinc/48/44/20/632484420.db2.gz UVHLKPBLEAOVBR-GFCCVEGCSA-N 0 1 259.349 2.796 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H]1C ZINC000816648004 632500921 /nfs/dbraw/zinc/50/09/21/632500921.db2.gz CDWWCYDYYDBYRQ-RKDXNWHRSA-N 0 1 270.170 2.995 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](O)CC2)ccc2ccccc21 ZINC000816667070 632508702 /nfs/dbraw/zinc/50/87/02/632508702.db2.gz BXPOICDDXCWTNY-HNNXBMFYSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@H](O)CC2)ccc2ccccc21 ZINC000816667070 632508706 /nfs/dbraw/zinc/50/87/06/632508706.db2.gz BXPOICDDXCWTNY-HNNXBMFYSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000816667673 632509977 /nfs/dbraw/zinc/50/99/77/632509977.db2.gz UBHOVZFEASJCRC-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@H](O)[C@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000846019432 632616394 /nfs/dbraw/zinc/61/63/94/632616394.db2.gz ZHFPPQSCWXORBU-QFYYESIMSA-N 0 1 293.313 2.882 20 10 CFCDMN C[C@H](CO)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000846056825 632625603 /nfs/dbraw/zinc/62/56/03/632625603.db2.gz BCTNNBIWMJWNCM-LLVKDONJSA-N 0 1 283.799 2.886 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)OCC23CCC3)c(O)c1 ZINC000846066959 632627512 /nfs/dbraw/zinc/62/75/12/632627512.db2.gz KAZAZBCKJJFUQG-ZDUSSCGKSA-N 0 1 291.391 2.934 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846103457 632631959 /nfs/dbraw/zinc/63/19/59/632631959.db2.gz YAXJHGDICDKPGG-UHFFFAOYSA-N 0 1 269.772 2.688 20 10 CFCDMN CN(C)c1ccc(/C=C/CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112754 632635703 /nfs/dbraw/zinc/63/57/03/632635703.db2.gz FLJAIDBCJPGLAF-MRINAFOASA-N 0 1 278.346 2.963 20 10 CFCDMN CCc1cc(CN[C@H](C)c2cccc(OC)c2O)on1 ZINC000846148061 632646553 /nfs/dbraw/zinc/64/65/53/632646553.db2.gz WSDGNPWIRAICRX-SNVBAGLBSA-N 0 1 276.336 2.802 20 10 CFCDMN COc1cccc([C@H](C)NCc2cnc(C)o2)c1O ZINC000846168629 632652508 /nfs/dbraw/zinc/65/25/08/632652508.db2.gz LEIRTPOUXAAJHS-VIFPVBQESA-N 0 1 262.309 2.548 20 10 CFCDMN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000817587565 632672043 /nfs/dbraw/zinc/67/20/43/632672043.db2.gz YULASDNQGNBKLM-GFCCVEGCSA-N 0 1 296.798 2.742 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000846266353 632678284 /nfs/dbraw/zinc/67/82/84/632678284.db2.gz ZKEBIBATALILLR-INIZCTEOSA-N 0 1 290.407 2.972 20 10 CFCDMN Cc1cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])ccc1N(C)C ZINC000846273904 632680459 /nfs/dbraw/zinc/68/04/59/632680459.db2.gz GCEJVLXFEWGQPO-INIZCTEOSA-N 0 1 292.423 2.992 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Cl)c1[O-] ZINC000817964753 632762826 /nfs/dbraw/zinc/76/28/26/632762826.db2.gz GWDNPLNEKULLFL-QWHCGFSZSA-N 0 1 268.788 2.824 20 10 CFCDMN C[C@@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972084 632771935 /nfs/dbraw/zinc/77/19/35/632771935.db2.gz JOIHRAJBKMLCIW-RQJHMYQMSA-N 0 1 263.168 2.697 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])C[C@H]2C)c1[O-] ZINC000846707659 632779072 /nfs/dbraw/zinc/77/90/72/632779072.db2.gz XJFDVXQFQPGLLB-RNCFNFMXSA-N 0 1 296.798 2.560 20 10 CFCDMN CCCC[N@H+](CCCC(=O)NC)Cc1ccccc1[O-] ZINC000846893498 632835755 /nfs/dbraw/zinc/83/57/55/632835755.db2.gz IZOKBYNKJFXZGO-UHFFFAOYSA-N 0 1 278.396 2.521 20 10 CFCDMN CCCC[N@@H+](CCCC(=O)NC)Cc1ccccc1[O-] ZINC000846893498 632835759 /nfs/dbraw/zinc/83/57/59/632835759.db2.gz IZOKBYNKJFXZGO-UHFFFAOYSA-N 0 1 278.396 2.521 20 10 CFCDMN CCc1cccc(CN[C@H](C)c2nnc3ccccn32)c1O ZINC000848892610 633380101 /nfs/dbraw/zinc/38/01/01/633380101.db2.gz BRYAHHOBPXDARC-GFCCVEGCSA-N 0 1 296.374 2.848 20 10 CFCDMN CCOc1cccc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922446 633404739 /nfs/dbraw/zinc/40/47/39/633404739.db2.gz STLXOTHDSVZPQD-UHFFFAOYSA-N 0 1 269.291 2.632 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000850410930 633981858 /nfs/dbraw/zinc/98/18/58/633981858.db2.gz ZPVCHRQVZBQCMZ-OLZOCXBDSA-N 0 1 255.745 2.621 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487991 634015694 /nfs/dbraw/zinc/01/56/94/634015694.db2.gz KNLJZPXRFYPQMV-ZANVPECISA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c(O)c1 ZINC000850499786 634020210 /nfs/dbraw/zinc/02/02/10/634020210.db2.gz XIDMDZVONRZXMW-NTZNESFSSA-N 0 1 272.352 2.649 20 10 CFCDMN CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccccc1O ZINC000850499852 634020329 /nfs/dbraw/zinc/02/03/29/634020329.db2.gz ZCPHUSUMKBATGB-DRZSPHRISA-N 0 1 272.352 2.730 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000850529194 634036233 /nfs/dbraw/zinc/03/62/33/634036233.db2.gz OFORKPOGLOCUOD-ZYHUDNBSSA-N 0 1 257.761 2.857 20 10 CFCDMN CN(Cc1cn2ccccc2n1)Cc1ccccc1O ZINC000111235073 634962401 /nfs/dbraw/zinc/96/24/01/634962401.db2.gz OELPNKNVJDQHGR-UHFFFAOYSA-N 0 1 267.332 2.672 20 10 CFCDMN C[C@@H](NCc1cn(C)nc1Cl)c1ccc(N(C)C)cc1 ZINC000856778129 635857941 /nfs/dbraw/zinc/85/79/41/635857941.db2.gz KOJNBJUVDOPDLB-LLVKDONJSA-N 0 1 292.814 2.990 20 10 CFCDMN COc1c([O-])c(C[NH+]2CC(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000857066808 635923516 /nfs/dbraw/zinc/92/35/16/635923516.db2.gz WIKZSBUSUCTSLM-UHFFFAOYSA-N 0 1 292.335 2.541 20 10 CFCDMN CCc1cc(CNCc2cc(F)c(N(C)C)cc2F)[nH]n1 ZINC000858137330 636136690 /nfs/dbraw/zinc/13/66/90/636136690.db2.gz MLXAPTRRZSRQJG-UHFFFAOYSA-N 0 1 294.349 2.606 20 10 CFCDMN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858471129 636258277 /nfs/dbraw/zinc/25/82/77/636258277.db2.gz BIBASXMUKWPSTM-CABZTGNLSA-N 0 1 295.766 2.958 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859888564 636737461 /nfs/dbraw/zinc/73/74/61/636737461.db2.gz UTJJZRQRMOJBJK-MRXNPFEDSA-N 0 1 298.390 2.585 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862246209 637297036 /nfs/dbraw/zinc/29/70/36/637297036.db2.gz CDCQXKTYVGZYJV-YPMHNXCESA-N 0 1 298.377 2.766 20 10 CFCDMN C[C@H](O)C[C@@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862246202 637297336 /nfs/dbraw/zinc/29/73/36/637297336.db2.gz CDCQXKTYVGZYJV-AAEUAGOBSA-N 0 1 298.377 2.766 20 10 CFCDMN Cn1cc(C(F)F)c(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000866567098 638846458 /nfs/dbraw/zinc/84/64/58/638846458.db2.gz JASDBYHRUWKVBS-LLVKDONJSA-N 0 1 293.317 2.840 20 10 CFCDMN CC[C@@]1(C)CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000191154066 650480675 /nfs/dbraw/zinc/48/06/75/650480675.db2.gz WAOJDLOJSYXMJA-INIZCTEOSA-N 0 1 262.397 2.754 20 10 CFCDMN CCOc1cccc(CN2CCO[C@](C)(CC)C2)c1O ZINC000191150843 650480819 /nfs/dbraw/zinc/48/08/19/650480819.db2.gz NYCCVUWWWGJJSL-MRXNPFEDSA-N 0 1 279.380 2.792 20 10 CFCDMN CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1O ZINC000123451153 641177869 /nfs/dbraw/zinc/17/78/69/641177869.db2.gz RFLUGDXBRFEWQR-UHFFFAOYSA-N 0 1 275.279 2.509 20 10 CFCDMN COc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1O ZINC000086755090 650797549 /nfs/dbraw/zinc/79/75/49/650797549.db2.gz CYSWTJHTVRZTRW-ZDUSSCGKSA-N 0 1 293.363 2.620 20 10 CFCDMN COCCN(Cc1ccco1)Cc1c(C)cccc1O ZINC000876601416 642940583 /nfs/dbraw/zinc/94/05/83/642940583.db2.gz PXMYJHZKQOENBD-UHFFFAOYSA-N 0 1 275.348 2.942 20 10 CFCDMN COCCc1ncc(CN(C)Cc2ccccc2O)s1 ZINC000876615522 642945525 /nfs/dbraw/zinc/94/55/25/642945525.db2.gz HASSSEKNQNTDSP-UHFFFAOYSA-N 0 1 292.404 2.670 20 10 CFCDMN C[C@@H]1CSCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876735280 642987178 /nfs/dbraw/zinc/98/71/78/642987178.db2.gz CKTPFUAUGHESPK-MRVPVSSYSA-N 0 1 259.321 2.608 20 10 CFCDMN C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1[O-] ZINC000876766273 643001400 /nfs/dbraw/zinc/00/14/00/643001400.db2.gz GVMCSPUNHIQEAF-CYBMUJFWSA-N 0 1 298.377 2.977 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc(F)c1F ZINC000876783178 643007772 /nfs/dbraw/zinc/00/77/72/643007772.db2.gz WDQZGRSQRCCTNO-PWSUYJOCSA-N 0 1 283.318 2.529 20 10 CFCDMN C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@@H]21 ZINC000876812080 643020343 /nfs/dbraw/zinc/02/03/43/643020343.db2.gz JHVUZBZQKQYGCO-RISCZKNCSA-N 0 1 296.361 2.587 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@@H]21 ZINC000876812080 643020348 /nfs/dbraw/zinc/02/03/48/643020348.db2.gz JHVUZBZQKQYGCO-RISCZKNCSA-N 0 1 296.361 2.587 20 10 CFCDMN COC[C@@H](NCc1ccc(C)cc1O)c1ccco1 ZINC000877080923 643140527 /nfs/dbraw/zinc/14/05/27/643140527.db2.gz RKMLMZUPELCFLM-CYBMUJFWSA-N 0 1 261.321 2.771 20 10 CFCDMN [O-]c1c(C[N@H+]2CCOCC3(CCC3)C2)ccc(F)c1F ZINC000877349607 643246706 /nfs/dbraw/zinc/24/67/06/643246706.db2.gz MVVWDIJMSWGJLD-UHFFFAOYSA-N 0 1 283.318 2.673 20 10 CFCDMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC000877521238 643325029 /nfs/dbraw/zinc/32/50/29/643325029.db2.gz TWAKJAJUSJICMX-OAHLLOKOSA-N 0 1 290.407 2.581 20 10 CFCDMN COCCN(Cc1ccccn1)Cc1c(C)cccc1O ZINC000877523045 643326370 /nfs/dbraw/zinc/32/63/70/643326370.db2.gz VPSIXAIMSHPVTO-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 CFCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877529994 643332578 /nfs/dbraw/zinc/33/25/78/643332578.db2.gz BFHHLYRFWVFGGB-NSHDSACASA-N 0 1 273.323 2.509 20 10 CFCDMN Cc1ccc(CN[C@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000877570990 643368660 /nfs/dbraw/zinc/36/86/60/643368660.db2.gz VXFYRFWIPISGNA-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1ccc(CN[C@@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000877570992 643369199 /nfs/dbraw/zinc/36/91/99/643369199.db2.gz VXFYRFWIPISGNA-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877577252 643374611 /nfs/dbraw/zinc/37/46/11/643374611.db2.gz VBHRRIUXRLBLNF-LBPRGKRZSA-N 0 1 284.350 2.585 20 10 CFCDMN CC(C)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877577252 643374612 /nfs/dbraw/zinc/37/46/12/643374612.db2.gz VBHRRIUXRLBLNF-LBPRGKRZSA-N 0 1 284.350 2.585 20 10 CFCDMN CC(C)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877577252 643374613 /nfs/dbraw/zinc/37/46/13/643374613.db2.gz VBHRRIUXRLBLNF-LBPRGKRZSA-N 0 1 284.350 2.585 20 10 CFCDMN C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877613171 643399044 /nfs/dbraw/zinc/39/90/44/643399044.db2.gz YTOZZLXUMOJDHR-GXFFZTMASA-N 0 1 296.798 2.583 20 10 CFCDMN Cc1ccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c(O)c1 ZINC000877643507 643427554 /nfs/dbraw/zinc/42/75/54/643427554.db2.gz JNXVHPJTFQWVFT-ABAIWWIYSA-N 0 1 285.334 2.945 20 10 CFCDMN COCC1(C2CC2)CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000877685797 643454808 /nfs/dbraw/zinc/45/48/08/643454808.db2.gz GZSAYLMWTKEFAM-UHFFFAOYSA-N 0 1 292.398 2.750 20 10 CFCDMN CC[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877690900 643456278 /nfs/dbraw/zinc/45/62/78/643456278.db2.gz GCXFQJUASDJFNI-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN CC[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877690900 643456286 /nfs/dbraw/zinc/45/62/86/643456286.db2.gz GCXFQJUASDJFNI-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000877739085 643504461 /nfs/dbraw/zinc/50/44/61/643504461.db2.gz FGDORQGFQASNKC-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877751328 643526911 /nfs/dbraw/zinc/52/69/11/643526911.db2.gz BNNNBISUTZJBQI-LLVKDONJSA-N 0 1 287.762 2.778 20 10 CFCDMN COC(=O)c1coc(CN[C@H](C)c2ccccc2O)c1 ZINC000877755670 643535807 /nfs/dbraw/zinc/53/58/07/643535807.db2.gz KWPFIXIMBWHQFC-SNVBAGLBSA-N 0 1 275.304 2.623 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877836351 643603674 /nfs/dbraw/zinc/60/36/74/643603674.db2.gz VEKZDTFNWZSKAT-LLVKDONJSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000126828338 643673845 /nfs/dbraw/zinc/67/38/45/643673845.db2.gz BOCAMSCKMUULJC-RKDXNWHRSA-N 0 1 289.206 2.868 20 10 CFCDMN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000092486735 650921289 /nfs/dbraw/zinc/92/12/89/650921289.db2.gz YADMTBDGBFZXIE-XJKSGUPXSA-N 0 1 262.397 2.752 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000131357031 645706717 /nfs/dbraw/zinc/70/67/17/645706717.db2.gz GQTHDAQSAUQKKU-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000131357031 645706720 /nfs/dbraw/zinc/70/67/20/645706720.db2.gz GQTHDAQSAUQKKU-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN COC[C@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000883315631 645734325 /nfs/dbraw/zinc/73/43/25/645734325.db2.gz SGJXCXDUNQXMKR-PHIMTYICSA-N 0 1 269.772 2.869 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000132667173 645948205 /nfs/dbraw/zinc/94/82/05/645948205.db2.gz OUTQTWIPUVWBHU-SECBINFHSA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000132667173 645948210 /nfs/dbraw/zinc/94/82/10/645948210.db2.gz OUTQTWIPUVWBHU-SECBINFHSA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000028754388 645955555 /nfs/dbraw/zinc/95/55/55/645955555.db2.gz IBCTWRNJDYLMOH-GFCCVEGCSA-N 0 1 257.333 2.766 20 10 CFCDMN Cc1cccc(NCC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000133486871 646103091 /nfs/dbraw/zinc/10/30/91/646103091.db2.gz ZMVYKWYXTMNYAM-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN CCOc1ccc(O)c(CNCc2cc(C3CC3)no2)c1 ZINC000886272025 646944358 /nfs/dbraw/zinc/94/43/58/646944358.db2.gz DVJOECVTZNJIRP-UHFFFAOYSA-N 0 1 288.347 2.946 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000219106756 646970180 /nfs/dbraw/zinc/97/01/80/646970180.db2.gz XFGIZVQUGASGFE-ZDUSSCGKSA-N 0 1 283.780 2.930 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886551139 647043814 /nfs/dbraw/zinc/04/38/14/647043814.db2.gz CCJBJXJWXIZZMB-GXSJLCMTSA-N 0 1 277.343 2.845 20 10 CFCDMN 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RKZGMEAQQGJXQU-GFCCVEGCSA-N 0 1 299.798 2.911 20 10 CFCDMN COc1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c([O-])c1Cl ZINC001236807793 778946513 /nfs/dbraw/zinc/94/65/13/778946513.db2.gz RKZGMEAQQGJXQU-GFCCVEGCSA-N 0 1 299.798 2.911 20 10 CFCDMN COc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1Cl ZINC001236805844 778947387 /nfs/dbraw/zinc/94/73/87/778947387.db2.gz FTXYNEIYOLEBTE-JQWIXIFHSA-N 0 1 297.782 2.665 20 10 CFCDMN COC[C@H]1CCCC[N@H+]1Cc1c(C)cc(OC)cc1O ZINC001236808413 778948799 /nfs/dbraw/zinc/94/87/99/778948799.db2.gz PBFFSVCGJOURBZ-CYBMUJFWSA-N 0 1 279.380 2.710 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c([O-])c1Cl ZINC001236811771 778949022 /nfs/dbraw/zinc/94/90/22/778949022.db2.gz ONJBPHJKTGLIJL-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CCOCC1 ZINC001236812879 778950223 /nfs/dbraw/zinc/95/02/23/778950223.db2.gz GPTXLGDPFCPTMR-UHFFFAOYSA-N 0 1 279.380 2.710 20 10 CFCDMN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CCOCC1 ZINC001236812879 778950226 /nfs/dbraw/zinc/95/02/26/778950226.db2.gz GPTXLGDPFCPTMR-UHFFFAOYSA-N 0 1 279.380 2.710 20 10 CFCDMN COc1cc(C)c(CN2CCc3cccnc3C2)c(O)c1 ZINC001236821810 778953999 /nfs/dbraw/zinc/95/39/99/778953999.db2.gz UJJWQKXAFHAVRH-UHFFFAOYSA-N 0 1 284.359 2.663 20 10 CFCDMN Cc1nc(CC[N@H+](C)Cc2cc3ccccc3cc2O)no1 ZINC001236826052 778955072 /nfs/dbraw/zinc/95/50/72/778955072.db2.gz FRWUAOZYFQXYNV-UHFFFAOYSA-N 0 1 297.358 2.911 20 10 CFCDMN Oc1cc2ccccc2cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001236835793 778961145 /nfs/dbraw/zinc/96/11/45/778961145.db2.gz SSXBYPCHXKLSLN-HZPDHXFCSA-N 0 1 269.344 2.909 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001237040456 778996394 /nfs/dbraw/zinc/99/63/94/778996394.db2.gz DFTRUCIEJLVISL-WMLDXEAASA-N 0 1 291.391 2.792 20 10 CFCDMN CC(C)c1ccc(C[N@@H+](C)CCC2OCCO2)c(O)c1 ZINC001237048513 778999203 /nfs/dbraw/zinc/99/92/03/778999203.db2.gz HDUKBECHXUXONO-UHFFFAOYSA-N 0 1 279.380 2.710 20 10 CFCDMN Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237054208 779001816 /nfs/dbraw/zinc/00/18/16/779001816.db2.gz WROOAJDAJBZMKQ-PHIMTYICSA-N 0 1 287.281 2.785 20 10 CFCDMN C[NH+](C)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078382 779006103 /nfs/dbraw/zinc/00/61/03/779006103.db2.gz RBJITBXCMPOJLH-VIFPVBQESA-N 0 1 289.206 2.835 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237120978 779017474 /nfs/dbraw/zinc/01/74/74/779017474.db2.gz JSEBYIAIVOPJDN-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237120978 779017476 /nfs/dbraw/zinc/01/74/76/779017476.db2.gz JSEBYIAIVOPJDN-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@]1(C)O ZINC001237119760 779017855 /nfs/dbraw/zinc/01/78/55/779017855.db2.gz FHPBMEKJSJBNQQ-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@]1(C)O ZINC001237119760 779017860 /nfs/dbraw/zinc/01/78/60/779017860.db2.gz FHPBMEKJSJBNQQ-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN 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/nfs/dbraw/zinc/15/87/79/779158779.db2.gz AZVRKXXUVFCCMC-GFCCVEGCSA-N 0 1 283.343 2.733 20 10 CFCDMN Cc1cc(Cl)cc(C[N@@H+]2CCc3nccn3CC2)c1O ZINC001237687165 779160965 /nfs/dbraw/zinc/16/09/65/779160965.db2.gz SCQUDIHJGBBJJM-UHFFFAOYSA-N 0 1 291.782 2.609 20 10 CFCDMN COC(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687459 779161187 /nfs/dbraw/zinc/16/11/87/779161187.db2.gz CCCHXOUNRKVSKD-LLVKDONJSA-N 0 1 297.782 2.739 20 10 CFCDMN CC1(C)CN(Cc2cc(F)cc(Cl)c2O)CCO1 ZINC001237800744 779181825 /nfs/dbraw/zinc/18/18/25/779181825.db2.gz AUGFHPUXERQUNN-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001237807491 779184853 /nfs/dbraw/zinc/18/48/53/779184853.db2.gz KHFFLOXZXKGBGP-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809200 779186107 /nfs/dbraw/zinc/18/61/07/779186107.db2.gz ZZKOMHMKXUBYKG-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1O ZINC001237933451 779209249 /nfs/dbraw/zinc/20/92/49/779209249.db2.gz BWLWMRFWIWFWSJ-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC001237945429 779212940 /nfs/dbraw/zinc/21/29/40/779212940.db2.gz ZTTVSGXLVGKGRA-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN CN(CC[NH+]1CCCC1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237948769 779214102 /nfs/dbraw/zinc/21/41/02/779214102.db2.gz HYFACSMDRZEZGE-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237950561 779214313 /nfs/dbraw/zinc/21/43/13/779214313.db2.gz WQIZKIPXXUQSEI-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238071132 779247164 /nfs/dbraw/zinc/24/71/64/779247164.db2.gz SOHJKGKKZRKQFT-MRXNPFEDSA-N 0 1 295.354 2.615 20 10 CFCDMN COc1ccc(O)c(CNCc2ccc(Cl)o2)c1 ZINC000700588170 780701326 /nfs/dbraw/zinc/70/13/26/780701326.db2.gz XKHLOGPLJBUILP-UHFFFAOYSA-N 0 1 267.712 2.937 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC3(C2)CCOCC3)ccc(F)c1F ZINC000703462817 781015681 /nfs/dbraw/zinc/01/56/81/781015681.db2.gz YEZZTKNHECFQER-UHFFFAOYSA-N 0 1 283.318 2.673 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C=CCC1 ZINC000706824851 781204780 /nfs/dbraw/zinc/20/47/80/781204780.db2.gz KXKFRGIOKRNFKA-SECBINFHSA-N 0 1 268.154 2.963 20 10 CFCDMN CC[NH+](CC)Cc1c([O-])cccc1Br ZINC000707170544 781229372 /nfs/dbraw/zinc/22/93/72/781229372.db2.gz AEXZBRZNMFNNJL-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C)O1 ZINC000708403195 781272859 /nfs/dbraw/zinc/27/28/59/781272859.db2.gz ZRWGVKZZVLOSJO-SKDRFNHKSA-N 0 1 271.307 2.670 20 10 CFCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414400 781273630 /nfs/dbraw/zinc/27/36/30/781273630.db2.gz RUAGMZQLSGSMJC-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN CC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000708403193 781273791 /nfs/dbraw/zinc/27/37/91/781273791.db2.gz ZRWGVKZZVLOSJO-CABZTGNLSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000708411901 781274011 /nfs/dbraw/zinc/27/40/11/781274011.db2.gz DELFMMAYFWTWNX-CABZTGNLSA-N 0 1 271.307 2.670 20 10 CFCDMN CCC[C@H]1CN(Cc2cccc(CC)c2O)CCO1 ZINC000709023209 781288164 /nfs/dbraw/zinc/28/81/64/781288164.db2.gz ZKGODPRFSHJTMP-HNNXBMFYSA-N 0 1 263.381 2.956 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711831026 781474612 /nfs/dbraw/zinc/47/46/12/781474612.db2.gz FXYWHWVTKLJKTA-BLLLJJGKSA-N 0 1 279.355 2.826 20 10 CFCDMN Cc1nccnc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000187896992 282222853 /nfs/dbraw/zinc/22/28/53/282222853.db2.gz BFFYOEMASIXIMZ-LBPRGKRZSA-N 0 1 288.370 2.841 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(F)c(F)c1[O-] ZINC000293383024 296130840 /nfs/dbraw/zinc/13/08/40/296130840.db2.gz IKTOCZBVSOVALZ-VHSXEESVSA-N 0 1 272.339 2.519 20 10 CFCDMN COc1ccc(N2CCN(Cc3ncccc3C)CC2)cc1 ZINC000093157948 375193390 /nfs/dbraw/zinc/19/33/90/375193390.db2.gz OKJHOPWOFFQGNR-UHFFFAOYSA-N 0 1 297.402 2.721 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@H](C)[C@@H]2C)c(O)c1 ZINC000093418440 375233116 /nfs/dbraw/zinc/23/31/16/375233116.db2.gz DSHMNPNOLCWBDD-QWHCGFSZSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1cccc(CN2CCOCC23CCC3)c1O ZINC000093510074 375260800 /nfs/dbraw/zinc/26/08/00/375260800.db2.gz JNNWYEVKDYDGEX-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000113337589 376011017 /nfs/dbraw/zinc/01/10/17/376011017.db2.gz LSYUTFVKLHRVIX-CYBMUJFWSA-N 0 1 291.778 2.739 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCOC1 ZINC000124593272 377068522 /nfs/dbraw/zinc/06/85/22/377068522.db2.gz FKAQODPEWNHAOD-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CS[C@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000125814407 377195500 /nfs/dbraw/zinc/19/55/00/377195500.db2.gz JZJZFPMNCPYHEU-MRVPVSSYSA-N 0 1 290.226 2.996 20 10 CFCDMN Cc1ccc(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000130028325 377503631 /nfs/dbraw/zinc/50/36/31/377503631.db2.gz YKUJMJMUYVUMHM-CYBMUJFWSA-N 0 1 261.365 2.702 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000132773612 377875648 /nfs/dbraw/zinc/87/56/48/377875648.db2.gz ANSCLEAIXROWRJ-UONOGXRCSA-N 0 1 277.364 2.544 20 10 CFCDMN COCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134903633 378060800 /nfs/dbraw/zinc/06/08/00/378060800.db2.gz QIRGIAUTAMRMMZ-SECBINFHSA-N 0 1 288.185 2.842 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000156096921 378635407 /nfs/dbraw/zinc/63/54/07/378635407.db2.gz FWHQHELZPBGOLT-JTQLQIEISA-N 0 1 276.163 2.920 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000177372785 380336109 /nfs/dbraw/zinc/33/61/09/380336109.db2.gz CWXUZPICYLZABI-LLVKDONJSA-N 0 1 297.782 2.717 20 10 CFCDMN Cc1ccc([C@@H]2CN(Cc3ccccc3O)CCO2)o1 ZINC000179584288 380560679 /nfs/dbraw/zinc/56/06/79/380560679.db2.gz AELZJUOHVIAMNA-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN CCCC[N@@H+](CCOC)Cc1cc(OC)ccc1O ZINC000180189795 380630220 /nfs/dbraw/zinc/63/02/20/380630220.db2.gz DRENSFRHPVPAKW-UHFFFAOYSA-N 0 1 267.369 2.649 20 10 CFCDMN Oc1ccc(F)cc1CN1CCN(c2cccs2)CC1 ZINC000180206658 380633553 /nfs/dbraw/zinc/63/35/53/380633553.db2.gz NLWIDHXGKBZDMA-UHFFFAOYSA-N 0 1 292.379 2.915 20 10 CFCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180273931 380642211 /nfs/dbraw/zinc/64/22/11/380642211.db2.gz BGVGYQUCDRCQHN-AWEZNQCLSA-N 0 1 267.344 2.778 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000180406218 380652679 /nfs/dbraw/zinc/65/26/79/380652679.db2.gz YIWMQSMVVNQANC-LLVKDONJSA-N 0 1 295.688 2.545 20 10 CFCDMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424128 380657611 /nfs/dbraw/zinc/65/76/11/380657611.db2.gz MNPFFCSHPLYERI-YPMHNXCESA-N 0 1 282.815 2.960 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccn2)c1[O-] ZINC000181795295 380896498 /nfs/dbraw/zinc/89/64/98/380896498.db2.gz TYZQRLAAVQKADL-JTQLQIEISA-N 0 1 288.322 2.980 20 10 CFCDMN CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccccn2)c1O ZINC000181795295 380896506 /nfs/dbraw/zinc/89/65/06/380896506.db2.gz TYZQRLAAVQKADL-JTQLQIEISA-N 0 1 288.322 2.980 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295501605 380899159 /nfs/dbraw/zinc/89/91/59/380899159.db2.gz YJZKFAKYVFKKEU-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN(C1CC1)C1COC1 ZINC000295583286 380956634 /nfs/dbraw/zinc/95/66/34/380956634.db2.gz BPSSHFSIRHWABL-UHFFFAOYSA-N 0 1 271.719 2.548 20 10 CFCDMN CCn1ccnc1CN[C@@H](C)c1cc(F)ccc1O ZINC000296488575 381419055 /nfs/dbraw/zinc/41/90/55/381419055.db2.gz OOROTQCVNWLIIE-JTQLQIEISA-N 0 1 263.316 2.599 20 10 CFCDMN COc1cc(Cl)cc(CN2CCSC[C@@H]2C)c1O ZINC000184693914 381463768 /nfs/dbraw/zinc/46/37/68/381463768.db2.gz XCGZXFSBPHLCOD-VIFPVBQESA-N 0 1 287.812 2.992 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000184850663 381487065 /nfs/dbraw/zinc/48/70/65/381487065.db2.gz OLQNDLNTAXROIA-MWLCHTKSSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000184850609 381487723 /nfs/dbraw/zinc/48/77/23/381487723.db2.gz OLQNDLNTAXROIA-ONGXEEELSA-N 0 1 255.745 2.875 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000371412894 381618612 /nfs/dbraw/zinc/61/86/12/381618612.db2.gz YMKGCISFHHINHC-HZPDHXFCSA-N 0 1 260.381 2.506 20 10 CFCDMN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185389302 381621110 /nfs/dbraw/zinc/62/11/10/381621110.db2.gz AFWOJCRCGBIPEV-NOZJJQNGSA-N 0 1 257.761 2.857 20 10 CFCDMN CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185463080 381640405 /nfs/dbraw/zinc/64/04/05/381640405.db2.gz FGHHPCNLHDGECT-NOZJJQNGSA-N 0 1 257.761 2.713 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000371556212 381658873 /nfs/dbraw/zinc/65/88/73/381658873.db2.gz WZCGXPRFOCBZNT-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000371556212 381658880 /nfs/dbraw/zinc/65/88/80/381658880.db2.gz WZCGXPRFOCBZNT-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185787650 381734627 /nfs/dbraw/zinc/73/46/27/381734627.db2.gz GDCRBVZIOBKLKX-PWSUYJOCSA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000372996343 381906518 /nfs/dbraw/zinc/90/65/18/381906518.db2.gz HYOZQTVYFHRPHY-OAHLLOKOSA-N 0 1 285.391 2.814 20 10 CFCDMN CO[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000374690722 382053085 /nfs/dbraw/zinc/05/30/85/382053085.db2.gz BNHZOIQFOYPTCH-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000374690722 382053088 /nfs/dbraw/zinc/05/30/88/382053088.db2.gz BNHZOIQFOYPTCH-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000376043682 382117022 /nfs/dbraw/zinc/11/70/22/382117022.db2.gz QWBKMGBJMZUTGK-HNNXBMFYSA-N 0 1 281.783 2.701 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000376043684 382117409 /nfs/dbraw/zinc/11/74/09/382117409.db2.gz QWBKMGBJMZUTGK-OAHLLOKOSA-N 0 1 281.783 2.701 20 10 CFCDMN Cc1nccnc1[C@H](C)NCc1ccc2c(c1)CCN2C ZINC000376650175 382159404 /nfs/dbraw/zinc/15/94/04/382159404.db2.gz DAEXOLUSAASQTG-ZDUSSCGKSA-N 0 1 282.391 2.628 20 10 CFCDMN COc1ccc2c(c1)OCCN(Cc1ccccc1O)C2 ZINC000376693172 382165439 /nfs/dbraw/zinc/16/54/39/382165439.db2.gz FAAGDDMYSHVCNH-UHFFFAOYSA-N 0 1 285.343 2.795 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293648678 382213389 /nfs/dbraw/zinc/21/33/89/382213389.db2.gz MWOWDTBGNBZMTE-UHFFFAOYSA-N 0 1 297.782 2.775 20 10 CFCDMN COCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000293782590 382277340 /nfs/dbraw/zinc/27/73/40/382277340.db2.gz TYBPWDSKCSZIDH-GFCCVEGCSA-N 0 1 297.370 2.625 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364610818 382337264 /nfs/dbraw/zinc/33/72/64/382337264.db2.gz XAJWZVAFINLYKL-GFCCVEGCSA-N 0 1 292.335 2.683 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@H]2C1 ZINC000365266758 382368897 /nfs/dbraw/zinc/36/88/97/382368897.db2.gz LMBDVRJOLKJHRV-GWCFXTLKSA-N 0 1 298.789 2.711 20 10 CFCDMN COc1ccc(O)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294093409 382412704 /nfs/dbraw/zinc/41/27/04/382412704.db2.gz RPAAVFKDXSZMAI-IAGOWNOFSA-N 0 1 289.375 2.544 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(Cl)c3O)C[C@H]21 ZINC000378472364 382467376 /nfs/dbraw/zinc/46/73/76/382467376.db2.gz IMPCXJHQZOXQMZ-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cccc(Cl)c3O)C[C@H]21 ZINC000378472364 382467382 /nfs/dbraw/zinc/46/73/82/382467382.db2.gz IMPCXJHQZOXQMZ-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1C ZINC000366814189 382551303 /nfs/dbraw/zinc/55/13/03/382551303.db2.gz KNDWESMHQULQGT-CQSZACIVSA-N 0 1 285.391 2.732 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274042 382604883 /nfs/dbraw/zinc/60/48/83/382604883.db2.gz HWOJMMUSYAMPOM-KOLCDFICSA-N 0 1 287.762 2.920 20 10 CFCDMN COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295316871 382615236 /nfs/dbraw/zinc/61/52/36/382615236.db2.gz LAJQOPPPXGOLTQ-MRVPVSSYSA-N 0 1 261.724 2.651 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000189876491 382643586 /nfs/dbraw/zinc/64/35/86/382643586.db2.gz ZAHLPFZUYJFHCR-JTQLQIEISA-N 0 1 297.704 2.791 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@H](O)C1CCCCC1 ZINC000190861042 382682992 /nfs/dbraw/zinc/68/29/92/382682992.db2.gz YLVALZCIWOJMBE-INIZCTEOSA-N 0 1 263.381 2.765 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000280658886 385103999 /nfs/dbraw/zinc/10/39/99/385103999.db2.gz STCDRXZZARWOBQ-BLLLJJGKSA-N 0 1 291.391 2.790 20 10 CFCDMN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000282190125 385242211 /nfs/dbraw/zinc/24/22/11/385242211.db2.gz GFNHIRVQYTUDAN-NIVTXAMTSA-N 0 1 287.812 2.607 20 10 CFCDMN COC(=O)[C@]1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000282714722 385375798 /nfs/dbraw/zinc/37/57/98/385375798.db2.gz LACPSXKJZORREJ-MEBBXXQBSA-N 0 1 297.782 2.677 20 10 CFCDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271479880 385383755 /nfs/dbraw/zinc/38/37/55/385383755.db2.gz JMDSUHOELUQUET-VXGBXAGGSA-N 0 1 287.411 2.845 20 10 CFCDMN Cc1cccc(CN2CCN(Cc3ccco3)CC2)c1O ZINC000271784422 385392789 /nfs/dbraw/zinc/39/27/89/385392789.db2.gz HLJXWDQMEHPIIX-UHFFFAOYSA-N 0 1 286.375 2.611 20 10 CFCDMN Oc1cccc2c1[C@H](NCc1cn3ccsc3n1)CC2 ZINC000296092197 285397587 /nfs/dbraw/zinc/39/75/87/285397587.db2.gz TWNXAAGXYPEDOM-GFCCVEGCSA-N 0 1 285.372 2.879 20 10 CFCDMN Cc1n[nH]c(C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000352112173 533668553 /nfs/dbraw/zinc/66/85/53/533668553.db2.gz QWIWMKBEDBPSRW-UHFFFAOYSA-N 0 1 296.374 2.757 20 10 CFCDMN COCCN(Cc1ccco1)Cc1cc(F)ccc1O ZINC000179939215 393472335 /nfs/dbraw/zinc/47/23/35/393472335.db2.gz RGRHGITZBRQZAE-UHFFFAOYSA-N 0 1 279.311 2.773 20 10 CFCDMN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccccc1O ZINC000109770307 393879766 /nfs/dbraw/zinc/87/97/66/393879766.db2.gz JWVNDAHBBGERQC-ZFWWWQNUSA-N 0 1 290.407 2.519 20 10 CFCDMN CC(C)OC[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000372117948 394306584 /nfs/dbraw/zinc/30/65/84/394306584.db2.gz YNMUDZWGMDRQKP-CYBMUJFWSA-N 0 1 299.798 2.671 20 10 CFCDMN COc1ccc(O)c([C@H](C)N2CCO[C@@H](C3CC3)C2)c1 ZINC000364627126 286338936 /nfs/dbraw/zinc/33/89/36/286338936.db2.gz BZPKTZCQURCIHX-MEDUHNTESA-N 0 1 277.364 2.573 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccn1 ZINC000037362761 260094801 /nfs/dbraw/zinc/09/48/01/260094801.db2.gz MZUDXQFTQNPOBN-GFCCVEGCSA-N 0 1 254.333 2.867 20 10 CFCDMN CCN(CC)c1ccc(CN2CCCOCC2)cc1F ZINC000374322475 260261594 /nfs/dbraw/zinc/26/15/94/260261594.db2.gz DNWSTCTVNPRWDO-UHFFFAOYSA-N 0 1 280.387 2.894 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000185688574 262066424 /nfs/dbraw/zinc/06/64/24/262066424.db2.gz USTWQQHLQCBQFG-VHSXEESVSA-N 0 1 257.761 2.857 20 10 CFCDMN C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134236 267147508 /nfs/dbraw/zinc/14/75/08/267147508.db2.gz LLPMLSGQUXHGMR-SWLSCSKDSA-N 0 1 294.826 2.962 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000369868723 267273151 /nfs/dbraw/zinc/27/31/51/267273151.db2.gz UHMUGMZFNXDWOA-SNVBAGLBSA-N 0 1 267.756 2.514 20 10 CFCDMN CC[C@@H](N[C@@H]1CCCn2c(C)nnc21)c1ccccc1O ZINC000369972374 267280572 /nfs/dbraw/zinc/28/05/72/267280572.db2.gz FMVJGPFLYCPZGF-ZIAGYGMSSA-N 0 1 286.379 2.868 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000527956697 270562187 /nfs/dbraw/zinc/56/21/87/270562187.db2.gz OSIUDHKRNTTWJG-QEJZJMRPSA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185190762 327915033 /nfs/dbraw/zinc/91/50/33/327915033.db2.gz MHWDJQQXROUHCW-IINYFYTJSA-N 0 1 269.360 2.979 20 10 CFCDMN CC[C@H]([NH2+]CC1COC1)c1cc(Cl)ccc1[O-] ZINC000528025407 330305044 /nfs/dbraw/zinc/30/50/44/330305044.db2.gz LLPXKLUVONTHTK-LBPRGKRZSA-N 0 1 255.745 2.733 20 10 CFCDMN CC(=O)NC1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273365537 519645824 /nfs/dbraw/zinc/64/58/24/519645824.db2.gz BILOEMDJUQVQLU-GWMXKSKGSA-N 0 1 294.370 2.629 20 10 CFCDMN CCN(C)[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000264056602 520274435 /nfs/dbraw/zinc/27/44/35/520274435.db2.gz VGRNJJGIOPSQAR-KRWDZBQOSA-N 0 1 298.386 2.701 20 10 CFCDMN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c([O-])cccc1Cl ZINC000292684882 520607657 /nfs/dbraw/zinc/60/76/57/520607657.db2.gz NBPQOBAOFAYOQY-LLVKDONJSA-N 0 1 298.814 2.688 20 10 CFCDMN CC[N@H+](CCCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000230744824 521011208 /nfs/dbraw/zinc/01/12/08/521011208.db2.gz DZHFZVKAOGBUGH-UHFFFAOYSA-N 0 1 270.804 2.819 20 10 CFCDMN CC[N@@H+](CCCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000230744824 521011216 /nfs/dbraw/zinc/01/12/16/521011216.db2.gz DZHFZVKAOGBUGH-UHFFFAOYSA-N 0 1 270.804 2.819 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000280482849 521148534 /nfs/dbraw/zinc/14/85/34/521148534.db2.gz DSRFUAWUOFPKRU-SJKOYZFVSA-N 0 1 291.391 2.790 20 10 CFCDMN CCN1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551428 521639062 /nfs/dbraw/zinc/63/90/62/521639062.db2.gz FPSIREAZCVDWQS-LLVKDONJSA-N 0 1 268.788 2.620 20 10 CFCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)[nH]n1 ZINC000263996609 521690118 /nfs/dbraw/zinc/69/01/18/521690118.db2.gz FHYPVZQKRVCARM-UHFFFAOYSA-N 0 1 287.363 2.730 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278328292 521868528 /nfs/dbraw/zinc/86/85/28/521868528.db2.gz ZALAHAZIMPDSOT-LBPRGKRZSA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278143921 521872491 /nfs/dbraw/zinc/87/24/91/521872491.db2.gz BMODFCCDPDBINN-VIFPVBQESA-N 0 1 280.324 2.539 20 10 CFCDMN CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000287503536 522090438 /nfs/dbraw/zinc/09/04/38/522090438.db2.gz UDJQWKXTWZICGE-SNVBAGLBSA-N 0 1 299.798 2.841 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000287503536 522090442 /nfs/dbraw/zinc/09/04/42/522090442.db2.gz UDJQWKXTWZICGE-SNVBAGLBSA-N 0 1 299.798 2.841 20 10 CFCDMN CCc1nc(C)c(CNCc2cc(C)ccc2O)o1 ZINC000291748447 522204885 /nfs/dbraw/zinc/20/48/85/522204885.db2.gz PWDBSVYTIJHQON-UHFFFAOYSA-N 0 1 260.337 2.849 20 10 CFCDMN CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(C)cc1O ZINC000280132145 522685794 /nfs/dbraw/zinc/68/57/94/522685794.db2.gz OZQWQNOPNOYZQT-DOTOQJQBSA-N 0 1 298.386 2.968 20 10 CFCDMN COCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000281961210 522898180 /nfs/dbraw/zinc/89/81/80/522898180.db2.gz JHZMYUODYDKDJT-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000276069116 523157840 /nfs/dbraw/zinc/15/78/40/523157840.db2.gz TWHJVYQPMGIGNX-XYPYZODXSA-N 0 1 269.772 2.781 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000276069116 523157847 /nfs/dbraw/zinc/15/78/47/523157847.db2.gz TWHJVYQPMGIGNX-XYPYZODXSA-N 0 1 269.772 2.781 20 10 CFCDMN CO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000218993967 523599482 /nfs/dbraw/zinc/59/94/82/523599482.db2.gz KJVFSPALRFMUNW-SNVBAGLBSA-N 0 1 255.745 2.656 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ZINC000894652819 619436761 /nfs/dbraw/zinc/43/67/61/619436761.db2.gz NXCVESXGAUZPJD-UHFFFAOYSA-N 0 1 261.337 2.855 20 10 CFCDMN Cc1nc([C@@H](C)NCc2c(O)cc(C)cc2Cl)n[nH]1 ZINC000894779431 619464198 /nfs/dbraw/zinc/46/41/98/619464198.db2.gz YDRFZXOLQKLIDA-MRVPVSSYSA-N 0 1 280.759 2.631 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)CC(C)(C)C ZINC000894915320 619512568 /nfs/dbraw/zinc/51/25/68/619512568.db2.gz RIKCEEGZKGDQTL-LBPRGKRZSA-N 0 1 287.350 2.899 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCc2ncncc2C1 ZINC000895722888 619591471 /nfs/dbraw/zinc/59/14/71/619591471.db2.gz MVUTVKBBTKVHPE-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN C[C@H](NCc1cc(Cl)c(F)cc1O)C(F)F ZINC000895725900 619592374 /nfs/dbraw/zinc/59/23/74/619592374.db2.gz VHKKJEFNZRGGAD-YFKPBYRVSA-N 0 1 253.651 2.928 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844716 619618310 /nfs/dbraw/zinc/61/83/10/619618310.db2.gz OGWMYMMJSAINHV-IINYFYTJSA-N 0 1 283.318 2.671 20 10 CFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845779 619621009 /nfs/dbraw/zinc/62/10/09/619621009.db2.gz IZXNGQJOKZODDL-XHDPSFHLSA-N 0 1 265.328 2.532 20 10 CFCDMN Cc1cccc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000896598222 619771533 /nfs/dbraw/zinc/77/15/33/619771533.db2.gz FRHRUKSMWNQQFT-CQSZACIVSA-N 0 1 269.348 2.732 20 10 CFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896961285 619906887 /nfs/dbraw/zinc/90/68/87/619906887.db2.gz XGKKZVPWVVKCFY-HNNXBMFYSA-N 0 1 299.370 2.930 20 10 CFCDMN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000896961285 619906888 /nfs/dbraw/zinc/90/68/88/619906888.db2.gz XGKKZVPWVVKCFY-HNNXBMFYSA-N 0 1 299.370 2.930 20 10 CFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000896961285 619906889 /nfs/dbraw/zinc/90/68/89/619906889.db2.gz XGKKZVPWVVKCFY-HNNXBMFYSA-N 0 1 299.370 2.930 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000840997419 620114918 /nfs/dbraw/zinc/11/49/18/620114918.db2.gz HDBMKAXXAKWKPU-MRXNPFEDSA-N 0 1 290.407 2.972 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997654 620116489 /nfs/dbraw/zinc/11/64/89/620116489.db2.gz XIMCZOXNTUCOLT-JFDDCEBESA-N 0 1 288.391 2.705 20 10 CFCDMN Cc1csc([C@@H](C)NCc2cc3c(cc2O)OCO3)n1 ZINC000070939629 625420686 /nfs/dbraw/zinc/42/06/86/625420686.db2.gz YEZFJRVYGAYALI-SECBINFHSA-N 0 1 292.360 2.737 20 10 CFCDMN CC[C@H]([NH2+]CCCON)c1ccc(C(F)(F)F)cc1[O-] ZINC000902415463 621070392 /nfs/dbraw/zinc/07/03/92/621070392.db2.gz OQFOWSHSQBYQGO-NSHDSACASA-N 0 1 292.301 2.732 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2csc(N)n2)c(O)c1 ZINC000902498927 621104800 /nfs/dbraw/zinc/10/48/00/621104800.db2.gz JHEXTNILPPVJHX-JTQLQIEISA-N 0 1 277.393 2.899 20 10 CFCDMN Cc1ccc([C@H](C)NCc2csc(N)n2)c(O)c1 ZINC000902499342 621105355 /nfs/dbraw/zinc/10/53/55/621105355.db2.gz NTGKMAWRONTLJB-VIFPVBQESA-N 0 1 263.366 2.590 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2csc(N)n2)c2c1c(F)ccc2O ZINC000902499963 621105388 /nfs/dbraw/zinc/10/53/88/621105388.db2.gz RGRCLZRIHUBFNF-GMSGAONNSA-N 0 1 293.367 2.908 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000902539358 621114151 /nfs/dbraw/zinc/11/41/51/621114151.db2.gz UIUOQSITMVLPLT-HNNXBMFYSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000902539358 621114155 /nfs/dbraw/zinc/11/41/55/621114155.db2.gz UIUOQSITMVLPLT-HNNXBMFYSA-N 0 1 298.386 2.941 20 10 CFCDMN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000903299637 621314410 /nfs/dbraw/zinc/31/44/10/621314410.db2.gz PUGSHYJVERIRAN-GAJTVXKRSA-N 0 1 285.771 2.500 20 10 CFCDMN C[C@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1[O-] ZINC000903328927 621339862 /nfs/dbraw/zinc/33/98/62/621339862.db2.gz HFJXJFFDEBWFSS-BMQDGWLCSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H](NCc1cn(C)cn1)c1cc(Cl)ccc1O ZINC000903352977 621344538 /nfs/dbraw/zinc/34/45/38/621344538.db2.gz XSHQVZXFMCDDFY-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000903352977 621344540 /nfs/dbraw/zinc/34/45/40/621344540.db2.gz XSHQVZXFMCDDFY-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042812535 621485278 /nfs/dbraw/zinc/48/52/78/621485278.db2.gz RXCDDZVLKVXXPL-LBPRGKRZSA-N 0 1 255.745 2.704 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H](C)O1 ZINC000164318269 622949510 /nfs/dbraw/zinc/94/95/10/622949510.db2.gz HSCZNWVMMGZJLN-GXTWGEPZSA-N 0 1 279.380 2.709 20 10 CFCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@H](C)CC ZINC000822512252 623118006 /nfs/dbraw/zinc/11/80/06/623118006.db2.gz YUSHZXWRYVKQIV-CYBMUJFWSA-N 0 1 279.380 2.803 20 10 CFCDMN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000227827357 623119966 /nfs/dbraw/zinc/11/99/66/623119966.db2.gz RJCLAWDBDIGHSX-OLZOCXBDSA-N 0 1 269.772 2.949 20 10 CFCDMN CCC(CC)(CO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000229207774 623189039 /nfs/dbraw/zinc/18/90/39/623189039.db2.gz HIGANYZJRGYEFQ-UHFFFAOYSA-N 0 1 271.788 2.934 20 10 CFCDMN C[C@H](NCc1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000171130734 623207421 /nfs/dbraw/zinc/20/74/21/623207421.db2.gz QAORTFWWYZBVKI-AWEZNQCLSA-N 0 1 286.375 2.967 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)cc1Cl ZINC000824474414 623511707 /nfs/dbraw/zinc/51/17/07/623511707.db2.gz OJOYJLTVPRMWBE-LLVKDONJSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)cc1Cl ZINC000824474414 623511713 /nfs/dbraw/zinc/51/17/13/623511713.db2.gz OJOYJLTVPRMWBE-LLVKDONJSA-N 0 1 269.772 2.558 20 10 CFCDMN CN(Cc1ccnn1CC1CC1)Cc1ccccc1O ZINC000824596533 623530303 /nfs/dbraw/zinc/53/03/03/623530303.db2.gz GCVKKDULKXNROU-UHFFFAOYSA-N 0 1 271.364 2.631 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCn2cccn2)cc1Cl ZINC000824802531 623568692 /nfs/dbraw/zinc/56/86/92/623568692.db2.gz MSVKTGQAGHMFSR-UHFFFAOYSA-N 0 1 279.771 2.683 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCn2cccn2)cc1Cl ZINC000824802531 623568698 /nfs/dbraw/zinc/56/86/98/623568698.db2.gz MSVKTGQAGHMFSR-UHFFFAOYSA-N 0 1 279.771 2.683 20 10 CFCDMN CCCc1ncc(CNCc2cccc(C)c2O)o1 ZINC000825085973 623626019 /nfs/dbraw/zinc/62/60/19/623626019.db2.gz OIOBUKUFVXADQH-UHFFFAOYSA-N 0 1 260.337 2.931 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CCOCC2)cc1Cl ZINC000825189987 623648088 /nfs/dbraw/zinc/64/80/88/623648088.db2.gz CCPFABJWBGHUJV-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H](O)C2CCC2)ccc2ccccc21 ZINC000825245488 623657800 /nfs/dbraw/zinc/65/78/00/623657800.db2.gz KJGYLLLTFDIYMQ-INIZCTEOSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N(C)C2CC2)cc1Cl ZINC000825254332 623659966 /nfs/dbraw/zinc/65/99/66/623659966.db2.gz PVFBAOJJYYPSDR-NSHDSACASA-N 0 1 282.815 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1Cl ZINC000825297745 623665692 /nfs/dbraw/zinc/66/56/92/623665692.db2.gz MQHNIZOJDBJRGQ-WCQYABFASA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC2CC2)cc1Cl ZINC000825378661 623682953 /nfs/dbraw/zinc/68/29/53/623682953.db2.gz DLDKKNLPUDJTFA-LBPRGKRZSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCn3ccnc3C2)cc1Cl ZINC000825563513 623716187 /nfs/dbraw/zinc/71/61/87/623716187.db2.gz YWGDVBVKCUTPLZ-GFCCVEGCSA-N 0 1 291.782 2.655 20 10 CFCDMN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825651258 623731115 /nfs/dbraw/zinc/73/11/15/623731115.db2.gz GIVQVSCRIUPVDR-UWVGGRQHSA-N 0 1 257.761 2.867 20 10 CFCDMN COCC[C@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825715897 623745526 /nfs/dbraw/zinc/74/55/26/623745526.db2.gz JIDBPHBVIKFXOK-HNNXBMFYSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@](C)(CO)C(C)C)cc1Cl ZINC000825948997 623774662 /nfs/dbraw/zinc/77/46/62/623774662.db2.gz NYVFUTAKLSOMLR-AWEZNQCLSA-N 0 1 271.788 2.851 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000825956138 623775455 /nfs/dbraw/zinc/77/54/55/623775455.db2.gz XPPGQQCIAPNMLU-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000825956138 623775460 /nfs/dbraw/zinc/77/54/60/623775460.db2.gz XPPGQQCIAPNMLU-LBPRGKRZSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)(C)O ZINC000826016483 623782822 /nfs/dbraw/zinc/78/28/22/623782822.db2.gz JZQUOPGCICPFPC-CYBMUJFWSA-N 0 1 271.788 2.993 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)(C)O ZINC000826016484 623782867 /nfs/dbraw/zinc/78/28/67/623782867.db2.gz JZQUOPGCICPFPC-ZDUSSCGKSA-N 0 1 271.788 2.993 20 10 CFCDMN Cc1cc(O)c(CN[C@H]2CCn3ccnc32)cc1Cl ZINC000826030147 623784870 /nfs/dbraw/zinc/78/48/70/623784870.db2.gz PUGNEECXQFMVST-LBPRGKRZSA-N 0 1 277.755 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1Cl ZINC000826083306 623791605 /nfs/dbraw/zinc/79/16/05/623791605.db2.gz DBEBAJYWJWOFDK-LLVKDONJSA-N 0 1 293.798 2.808 20 10 CFCDMN COCCN(CCF)Cc1ccc2ccccc2c1O ZINC000827048461 623930894 /nfs/dbraw/zinc/93/08/94/623930894.db2.gz OUEAMKMPGLRIIK-UHFFFAOYSA-N 0 1 277.339 2.963 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[C@H]1O ZINC000827151408 623953727 /nfs/dbraw/zinc/95/37/27/623953727.db2.gz AGXLMAONTFMDEX-QRJZZWFUSA-N 0 1 287.762 2.633 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1Cl ZINC000827147557 623953856 /nfs/dbraw/zinc/95/38/56/623953856.db2.gz SVBPTXIVGHWTIZ-GHMZBOCLSA-N 0 1 283.799 2.803 20 10 CFCDMN CCOc1ccc(C[N@@H+](C)CC2=CCCOC2)c(O)c1 ZINC000827184645 623961370 /nfs/dbraw/zinc/96/13/70/623961370.db2.gz DHGGRLDLPISXDF-UHFFFAOYSA-N 0 1 277.364 2.569 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1=CCCOC1 ZINC000827190235 623962541 /nfs/dbraw/zinc/96/25/41/623962541.db2.gz SNZWOFMZEMNRKD-UHFFFAOYSA-N 0 1 285.746 2.963 20 10 CFCDMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827282857 623981449 /nfs/dbraw/zinc/98/14/49/623981449.db2.gz NPZARANFNSFCOQ-YGRLFVJLSA-N 0 1 285.746 2.653 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(Cl)c1 ZINC000827283129 623981496 /nfs/dbraw/zinc/98/14/96/623981496.db2.gz OYQSWCHTWOZIAG-XHDPSFHLSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(Cl)c1 ZINC000827283129 623981498 /nfs/dbraw/zinc/98/14/98/623981498.db2.gz OYQSWCHTWOZIAG-XHDPSFHLSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000827364623 623994076 /nfs/dbraw/zinc/99/40/76/623994076.db2.gz GJXSTCQRFHASKY-KBPBESRZSA-N 0 1 281.783 2.747 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000827941759 624133646 /nfs/dbraw/zinc/13/36/46/624133646.db2.gz HVENEWBIDPSCCX-NSHDSACASA-N 0 1 294.351 2.787 20 10 CFCDMN CCn1nccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000827955276 624138390 /nfs/dbraw/zinc/13/83/90/624138390.db2.gz CTYDWJMDCWDCSI-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN CCCn1cc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000155178807 624670148 /nfs/dbraw/zinc/67/01/48/624670148.db2.gz KKCFEKLZONZYDZ-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2c(C)noc2C)c1 ZINC000179754863 624975515 /nfs/dbraw/zinc/97/55/15/624975515.db2.gz WUGPWQVSEMCHDZ-UHFFFAOYSA-N 0 1 276.336 2.638 20 10 CFCDMN CCc1cc(CN[C@@H]2CCc3cccc(O)c32)on1 ZINC000834597017 625731666 /nfs/dbraw/zinc/73/16/66/625731666.db2.gz CROZNGLHHGAKRJ-CYBMUJFWSA-N 0 1 258.321 2.720 20 10 CFCDMN CC(C)c1nnc([C@H](C)N[C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000834698095 625790356 /nfs/dbraw/zinc/79/03/56/625790356.db2.gz WFYADUUPFYSLBN-CMPLNLGQSA-N 0 1 286.379 2.972 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cc(Cl)ccc1[O-] ZINC000834888751 625910805 /nfs/dbraw/zinc/91/08/05/625910805.db2.gz BWUVKTMIGILWAN-DGCLKSJQSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1O ZINC000834893891 625912843 /nfs/dbraw/zinc/91/28/43/625912843.db2.gz IDSFAXOXIZWAQL-GMXVVIOVSA-N 0 1 257.337 2.945 20 10 CFCDMN CCc1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])co1 ZINC000834899926 625915767 /nfs/dbraw/zinc/91/57/67/625915767.db2.gz ROADVHKORSIXTG-VIFPVBQESA-N 0 1 291.307 2.702 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Cl)ccc1[O-] ZINC000834901247 625915800 /nfs/dbraw/zinc/91/58/00/625915800.db2.gz RENHCZWWVOCSGU-BXKDBHETSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000834907012 625919161 /nfs/dbraw/zinc/91/91/61/625919161.db2.gz JVXQEIAOTDAVJY-NDMJEZRESA-N 0 1 296.798 2.740 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000834906894 625919212 /nfs/dbraw/zinc/91/92/12/625919212.db2.gz JGUUXEIZOBCTCF-FPMFFAJLSA-N 0 1 298.386 2.850 20 10 CFCDMN CC[C@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])C(=O)NC ZINC000834915367 625921351 /nfs/dbraw/zinc/92/13/51/625921351.db2.gz XTEHAIPABLLQQE-RYUDHWBXSA-N 0 1 284.787 2.611 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851707477 634480561 /nfs/dbraw/zinc/48/05/61/634480561.db2.gz DJNCZZLLEUOAJI-CYBMUJFWSA-N 0 1 290.407 2.970 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1cn[nH]c1 ZINC000921937235 626180800 /nfs/dbraw/zinc/18/08/00/626180800.db2.gz ZDOKOLFEGUPDEY-NSHDSACASA-N 0 1 257.337 2.586 20 10 CFCDMN CCc1nc([C@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000921946361 626183172 /nfs/dbraw/zinc/18/31/72/626183172.db2.gz NBEQBFBADPAFKZ-NSHDSACASA-N 0 1 286.379 2.543 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187394 626530188 /nfs/dbraw/zinc/53/01/88/626530188.db2.gz HDHCXNCVCPXZQD-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN COc1cc(Cl)cc(CN[C@H](C)c2ccn(C)n2)c1O ZINC000839190132 626530648 /nfs/dbraw/zinc/53/06/48/626530648.db2.gz CUJJKNLFFSILRL-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000839191936 626530836 /nfs/dbraw/zinc/53/08/36/626530836.db2.gz QPZNAPAQCGUASV-GEXIGZQTSA-N 0 1 284.407 2.850 20 10 CFCDMN CCOc1ccc(CN(C)Cc2ccccn2)c(O)c1 ZINC000757891393 626566897 /nfs/dbraw/zinc/56/68/97/626566897.db2.gz ZWPIPFQAQRCIKJ-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760036266 626711009 /nfs/dbraw/zinc/71/10/09/626711009.db2.gz FCTSIXLUDXQLBU-IONNQARKSA-N 0 1 279.714 2.712 20 10 CFCDMN CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCOC1 ZINC000763573462 626998849 /nfs/dbraw/zinc/99/88/49/626998849.db2.gz SHKIVNPEXSCHKX-IINYFYTJSA-N 0 1 285.771 2.502 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(F)(F)F ZINC000765790983 627157632 /nfs/dbraw/zinc/15/76/32/627157632.db2.gz YFZZRDITWGDQMF-ONGXEEELSA-N 0 1 297.704 2.837 20 10 CFCDMN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448479 627344297 /nfs/dbraw/zinc/34/42/97/627344297.db2.gz VGDVNYIBAZUIDS-XHBSWPGZSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448479 627344300 /nfs/dbraw/zinc/34/43/00/627344300.db2.gz VGDVNYIBAZUIDS-XHBSWPGZSA-N 0 1 291.391 2.829 20 10 CFCDMN CC[C@@H](C)C[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464253 627345053 /nfs/dbraw/zinc/34/50/53/627345053.db2.gz PLISSKHKFAQECC-ABAIWWIYSA-N 0 1 279.380 2.686 20 10 CFCDMN CC[C@@H](C)C[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464253 627345056 /nfs/dbraw/zinc/34/50/56/627345056.db2.gz PLISSKHKFAQECC-ABAIWWIYSA-N 0 1 279.380 2.686 20 10 CFCDMN C[C@@H]1c2ccccc2CN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465326 627345575 /nfs/dbraw/zinc/34/55/75/627345575.db2.gz GSJXBUNDJYWOPM-DIFFPNOSSA-N 0 1 297.354 2.895 20 10 CFCDMN COc1cccc(CN2CCc3ccc(O)cc3C2)c1O ZINC000768869762 627381456 /nfs/dbraw/zinc/38/14/56/627381456.db2.gz YKSZMZMOVFXPQC-UHFFFAOYSA-N 0 1 285.343 2.665 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769314281 627423321 /nfs/dbraw/zinc/42/33/21/627423321.db2.gz WYYXCUDJOZHHGZ-LLVKDONJSA-N 0 1 297.782 2.631 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769314281 627423324 /nfs/dbraw/zinc/42/33/24/627423324.db2.gz WYYXCUDJOZHHGZ-LLVKDONJSA-N 0 1 297.782 2.631 20 10 CFCDMN CC[N@@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775063171 627989777 /nfs/dbraw/zinc/98/97/77/627989777.db2.gz NRJUYIGZYNVVGN-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775500164 628032142 /nfs/dbraw/zinc/03/21/42/628032142.db2.gz YCXHPXBVPWNDNI-AAEUAGOBSA-N 0 1 268.788 2.790 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000775508172 628032162 /nfs/dbraw/zinc/03/21/62/628032162.db2.gz AFXXBEUQKCERSO-YPMHNXCESA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775500023 628032601 /nfs/dbraw/zinc/03/26/01/628032601.db2.gz LWMHVEUNCIBXTN-LBPRGKRZSA-N 0 1 284.787 2.565 20 10 CFCDMN CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1cc(Cl)ccc1[O-] ZINC000775522645 628033630 /nfs/dbraw/zinc/03/36/30/628033630.db2.gz WLESXTMMAGVAME-GFCCVEGCSA-N 0 1 298.770 2.537 20 10 CFCDMN CCOc1ccc(CN2CCOC[C@@]2(C)CC)c(O)c1 ZINC000775981926 628090341 /nfs/dbraw/zinc/09/03/41/628090341.db2.gz VUVFQWQNWGRISL-MRXNPFEDSA-N 0 1 279.380 2.792 20 10 CFCDMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(C)c(C)cc1O ZINC000775997828 628092416 /nfs/dbraw/zinc/09/24/16/628092416.db2.gz DIDGSCWBDZNJPB-NHYWBVRUSA-N 0 1 291.391 2.783 20 10 CFCDMN CCOc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC000779149676 628356382 /nfs/dbraw/zinc/35/63/82/628356382.db2.gz OCTBLLNPBBHYCT-RISCZKNCSA-N 0 1 267.344 2.971 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783738850 628740460 /nfs/dbraw/zinc/74/04/60/628740460.db2.gz WSVMICGRAAYRRV-VWYCJHECSA-N 0 1 253.317 2.529 20 10 CFCDMN CCOC(=O)CN(Cc1ccccc1O)CC1CC=CC1 ZINC000852193185 634685283 /nfs/dbraw/zinc/68/52/83/634685283.db2.gz YLJRIACAHCKMGI-UHFFFAOYSA-N 0 1 289.375 2.724 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000788981497 629113458 /nfs/dbraw/zinc/11/34/58/629113458.db2.gz CUWSJDUYMLBOCX-GXFFZTMASA-N 0 1 298.814 2.953 20 10 CFCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789563934 629167032 /nfs/dbraw/zinc/16/70/32/629167032.db2.gz AJERPXWHBNVCRQ-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)c(O)c1 ZINC000789939942 629198614 /nfs/dbraw/zinc/19/86/14/629198614.db2.gz SUSYUJNIEFNHQP-UHFFFAOYSA-N 0 1 277.251 2.503 20 10 CFCDMN COc1cc(CN2CCO[C@@H](C(C)(C)C)C2)c(O)cc1C ZINC000790411556 629237531 /nfs/dbraw/zinc/23/75/31/629237531.db2.gz FQMHBIIUOGEDEC-MRXNPFEDSA-N 0 1 293.407 2.956 20 10 CFCDMN CCOc1ccc(O)c(CNCc2cccnc2F)c1 ZINC000793285385 629521250 /nfs/dbraw/zinc/52/12/50/629521250.db2.gz WRYJKBRCQCEKLS-UHFFFAOYSA-N 0 1 276.311 2.615 20 10 CFCDMN CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)c([O-])c1 ZINC000793608912 629578010 /nfs/dbraw/zinc/57/80/10/629578010.db2.gz LNSPLELNDLRFKQ-HNNXBMFYSA-N 0 1 293.407 2.918 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCCCC[C@H]2CCO)c([O-])c1 ZINC000793608912 629578012 /nfs/dbraw/zinc/57/80/12/629578012.db2.gz LNSPLELNDLRFKQ-HNNXBMFYSA-N 0 1 293.407 2.918 20 10 CFCDMN C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794671345 629672884 /nfs/dbraw/zinc/67/28/84/629672884.db2.gz FSIZYFMKJXIGOY-QGZVFWFLSA-N 0 1 286.375 2.677 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794671345 629672888 /nfs/dbraw/zinc/67/28/88/629672888.db2.gz FSIZYFMKJXIGOY-QGZVFWFLSA-N 0 1 286.375 2.677 20 10 CFCDMN CCCCN(Cc1nccn1C)Cc1ccccc1O ZINC000801598166 630462139 /nfs/dbraw/zinc/46/21/39/630462139.db2.gz WMRXVBLGIFPRAG-UHFFFAOYSA-N 0 1 273.380 2.928 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802747208 630542668 /nfs/dbraw/zinc/54/26/68/630542668.db2.gz HITYUBMMKCHKOO-NSHDSACASA-N 0 1 294.301 2.754 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802747208 630542669 /nfs/dbraw/zinc/54/26/69/630542669.db2.gz HITYUBMMKCHKOO-NSHDSACASA-N 0 1 294.301 2.754 20 10 CFCDMN Cn1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807839025 630912992 /nfs/dbraw/zinc/91/29/92/630912992.db2.gz VAFNBRFTDFZYAF-UHFFFAOYSA-N 0 1 299.157 2.968 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000840121723 630915854 /nfs/dbraw/zinc/91/58/54/630915854.db2.gz FKUAXVWWPLEIPV-PXAZEXFGSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000840121723 630915856 /nfs/dbraw/zinc/91/58/56/630915856.db2.gz FKUAXVWWPLEIPV-PXAZEXFGSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000840121723 630915858 /nfs/dbraw/zinc/91/58/58/630915858.db2.gz FKUAXVWWPLEIPV-PXAZEXFGSA-N 0 1 286.375 2.797 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840175752 631224971 /nfs/dbraw/zinc/22/49/71/631224971.db2.gz NBHLQZXKLXGGQA-SFHVURJKSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840175752 631224974 /nfs/dbraw/zinc/22/49/74/631224974.db2.gz NBHLQZXKLXGGQA-SFHVURJKSA-N 0 1 298.386 2.941 20 10 CFCDMN CO[C@H](C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840890819 631253812 /nfs/dbraw/zinc/25/38/12/631253812.db2.gz OQTOJRRBKMMKJT-SNVBAGLBSA-N 0 1 257.761 2.869 20 10 CFCDMN CC[C@H](O)CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901207 631257032 /nfs/dbraw/zinc/25/70/32/631257032.db2.gz YYCMMLWOVLXLDC-NSHDSACASA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c(Cl)c1 ZINC000840907913 631258754 /nfs/dbraw/zinc/25/87/54/631258754.db2.gz UOEDPZGJHQVAIG-NHYWBVRUSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c(Cl)c1 ZINC000840907911 631259395 /nfs/dbraw/zinc/25/93/95/631259395.db2.gz UOEDPZGJHQVAIG-ABAIWWIYSA-N 0 1 294.826 2.926 20 10 CFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840910567 631260723 /nfs/dbraw/zinc/26/07/23/631260723.db2.gz JFTMZSYDSOQIEY-JTQLQIEISA-N 0 1 285.771 2.595 20 10 CFCDMN COC(=O)[C@@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840910567 631260732 /nfs/dbraw/zinc/26/07/32/631260732.db2.gz JFTMZSYDSOQIEY-JTQLQIEISA-N 0 1 285.771 2.595 20 10 CFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840910567 631260735 /nfs/dbraw/zinc/26/07/35/631260735.db2.gz JFTMZSYDSOQIEY-JTQLQIEISA-N 0 1 285.771 2.595 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(CO)CC2)c(Cl)c1 ZINC000840910644 631261790 /nfs/dbraw/zinc/26/17/90/631261790.db2.gz VIFPAKINGPGYGR-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(O)CC2)c(Cl)c1 ZINC000840914891 631262517 /nfs/dbraw/zinc/26/25/17/631262517.db2.gz HZUXZBKHDXFNPD-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)c(Cl)c1 ZINC000840916590 631264871 /nfs/dbraw/zinc/26/48/71/631264871.db2.gz BRJYNOFDGRHGMI-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)c(Cl)c1 ZINC000840916590 631264873 /nfs/dbraw/zinc/26/48/73/631264873.db2.gz BRJYNOFDGRHGMI-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000809693160 631265273 /nfs/dbraw/zinc/26/52/73/631265273.db2.gz OWYCSUFRENVARU-TXEJJXNPSA-N 0 1 255.745 2.655 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000809693160 631265277 /nfs/dbraw/zinc/26/52/77/631265277.db2.gz OWYCSUFRENVARU-TXEJJXNPSA-N 0 1 255.745 2.655 20 10 CFCDMN CCN(CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000809713271 631269556 /nfs/dbraw/zinc/26/95/56/631269556.db2.gz FZXLUYHCDCTUNG-UHFFFAOYSA-N 0 1 290.407 2.617 20 10 CFCDMN COC(=O)CCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000809727461 631270009 /nfs/dbraw/zinc/27/00/09/631270009.db2.gz JYIASSDHPHLMEM-UHFFFAOYSA-N 0 1 285.771 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000840939376 631271767 /nfs/dbraw/zinc/27/17/67/631271767.db2.gz NJYVSLIHKDVPCS-BXUZGUMPSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840941583 631274003 /nfs/dbraw/zinc/27/40/03/631274003.db2.gz ZAKIPQBTQLVYMN-LLVKDONJSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000840948583 631277724 /nfs/dbraw/zinc/27/77/24/631277724.db2.gz FOSBZENAKHMRTP-LLVKDONJSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC000840948583 631277729 /nfs/dbraw/zinc/27/77/29/631277729.db2.gz FOSBZENAKHMRTP-LLVKDONJSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)CCCO)c(Cl)c1 ZINC000840949931 631279397 /nfs/dbraw/zinc/27/93/97/631279397.db2.gz CTZMAUKJGQURAB-SNVBAGLBSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCCCO)c(Cl)c1 ZINC000840951220 631279498 /nfs/dbraw/zinc/27/94/98/631279498.db2.gz UMOBGHOPWHBQFC-LLVKDONJSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000840953468 631280354 /nfs/dbraw/zinc/28/03/54/631280354.db2.gz RUGJTDJRDUXOLK-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000840953468 631280359 /nfs/dbraw/zinc/28/03/59/631280359.db2.gz RUGJTDJRDUXOLK-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000840953468 631280361 /nfs/dbraw/zinc/28/03/61/631280361.db2.gz RUGJTDJRDUXOLK-MNOVXSKESA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H](C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996731 631296946 /nfs/dbraw/zinc/29/69/46/631296946.db2.gz KAPZGSFTHLXLGR-AFNCTOJWSA-N 0 1 290.407 2.951 20 10 CFCDMN CC[C@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996734 631298275 /nfs/dbraw/zinc/29/82/75/631298275.db2.gz KAPZGSFTHLXLGR-UZYOAWRESA-N 0 1 290.407 2.951 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)c1O ZINC000840997739 631298512 /nfs/dbraw/zinc/29/85/12/631298512.db2.gz IXUFURXMBXEXDL-GDLCADMTSA-N 0 1 293.338 2.749 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(F)c1O ZINC000840997739 631298517 /nfs/dbraw/zinc/29/85/17/631298517.db2.gz IXUFURXMBXEXDL-GDLCADMTSA-N 0 1 293.338 2.749 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(F)cc(F)c1[O-] ZINC000810253626 631351202 /nfs/dbraw/zinc/35/12/02/631351202.db2.gz YYZIWWHAUAEZDM-PSASIEDQSA-N 0 1 293.317 2.602 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841746206 631463208 /nfs/dbraw/zinc/46/32/08/631463208.db2.gz CYMLKSXNTUCBSP-PWSUYJOCSA-N 0 1 280.799 2.933 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841746207 631463657 /nfs/dbraw/zinc/46/36/57/631463657.db2.gz CYMLKSXNTUCBSP-ZYHUDNBSSA-N 0 1 280.799 2.933 20 10 CFCDMN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000841748326 631464525 /nfs/dbraw/zinc/46/45/25/631464525.db2.gz KRTWZLKGLPASBT-GWCFXTLKSA-N 0 1 296.798 2.706 20 10 CFCDMN C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841756838 631467897 /nfs/dbraw/zinc/46/78/97/631467897.db2.gz KTGFSIBLNUVZBO-LKFCYVNXSA-N 0 1 269.772 2.857 20 10 CFCDMN CC(C)Cn1nccc1CNCc1ccc2c(c1)CCO2 ZINC000842674154 631701848 /nfs/dbraw/zinc/70/18/48/631701848.db2.gz XFBUEXKDTZZSGS-UHFFFAOYSA-N 0 1 285.391 2.764 20 10 CFCDMN COCC1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000842728220 631719983 /nfs/dbraw/zinc/71/99/83/631719983.db2.gz CAMGCEMFTXUOEB-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842929739 631783991 /nfs/dbraw/zinc/78/39/91/631783991.db2.gz SWMJXAGPAORZRL-KKZNHRDASA-N 0 1 255.745 2.874 20 10 CFCDMN [O-]c1c(Cl)cccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843127670 631846568 /nfs/dbraw/zinc/84/65/68/631846568.db2.gz FLAHHYLNPSXDHA-ZDUSSCGKSA-N 0 1 280.799 2.810 20 10 CFCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(C)C1 ZINC000843421999 631951377 /nfs/dbraw/zinc/95/13/77/631951377.db2.gz JYYPFTXIDWQHOC-ZDUSSCGKSA-N 0 1 282.815 2.962 20 10 CFCDMN CC[C@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1[O-] ZINC000813878661 631971535 /nfs/dbraw/zinc/97/15/35/631971535.db2.gz DRUSVTNGLVMESD-ZDUSSCGKSA-N 0 1 285.771 2.502 20 10 CFCDMN C[C@@H](NCc1nnc(C(C)(C)C)[nH]1)c1ccccc1O ZINC000814628647 632100523 /nfs/dbraw/zinc/10/05/23/632100523.db2.gz AWIHIBOGTBOAAG-SNVBAGLBSA-N 0 1 274.368 2.659 20 10 CFCDMN CC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815014824 632186962 /nfs/dbraw/zinc/18/69/62/632186962.db2.gz BCIXXYUAWYNRPJ-OAHLLOKOSA-N 0 1 262.397 2.672 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cccnc2)cc1 ZINC000844399660 632194435 /nfs/dbraw/zinc/19/44/35/632194435.db2.gz MGMWOMNWMZERQV-UHFFFAOYSA-N 0 1 285.391 2.658 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cc(C)ccn2)cc1 ZINC000844402969 632196305 /nfs/dbraw/zinc/19/63/05/632196305.db2.gz YLTGAMFDLRTJAL-UHFFFAOYSA-N 0 1 299.418 2.967 20 10 CFCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844839828 632321540 /nfs/dbraw/zinc/32/15/40/632321540.db2.gz XNPSGSLLLZJRLV-GFCCVEGCSA-N 0 1 299.754 2.543 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844839829 632321626 /nfs/dbraw/zinc/32/16/26/632321626.db2.gz XNPSGSLLLZJRLV-LBPRGKRZSA-N 0 1 299.754 2.543 20 10 CFCDMN C[C@H](CO)[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553494 632482944 /nfs/dbraw/zinc/48/29/44/632482944.db2.gz XKUCKGSJEXCHSH-NEPJUHHUSA-N 0 1 259.349 2.652 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816574474 632488313 /nfs/dbraw/zinc/48/83/13/632488313.db2.gz IZYYIHSDFIIXOD-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816607897 632492755 /nfs/dbraw/zinc/49/27/55/632492755.db2.gz IVHOEVQJYDYEHI-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](C(F)F)C1 ZINC000816600811 632493012 /nfs/dbraw/zinc/49/30/12/632493012.db2.gz IHRRBPKHVDLJBT-LLVKDONJSA-N 0 1 295.688 2.651 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000816608440 632493243 /nfs/dbraw/zinc/49/32/43/632493243.db2.gz ZPUHWKQPGPNPCW-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN Cn1cncc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816613847 632494945 /nfs/dbraw/zinc/49/49/45/632494945.db2.gz HEUWJNKLXFUEKX-UHFFFAOYSA-N 0 1 267.332 2.569 20 10 CFCDMN CC[C@H]1C[N@@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000816660970 632507470 /nfs/dbraw/zinc/50/74/70/632507470.db2.gz WOIYTRDSDJHZAN-LBPRGKRZSA-N 0 1 268.788 2.572 20 10 CFCDMN CC[C@H]1CN(C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000816660970 632507472 /nfs/dbraw/zinc/50/74/72/632507472.db2.gz WOIYTRDSDJHZAN-LBPRGKRZSA-N 0 1 268.788 2.572 20 10 CFCDMN CC[C@H]1CN(C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000816660970 632507474 /nfs/dbraw/zinc/50/74/74/632507474.db2.gz WOIYTRDSDJHZAN-LBPRGKRZSA-N 0 1 268.788 2.572 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(Cl)c1 ZINC000817413399 632625147 /nfs/dbraw/zinc/62/51/47/632625147.db2.gz XIVGVDDSFBXFBX-VXGBXAGGSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c(Cl)c1 ZINC000817413399 632625151 /nfs/dbraw/zinc/62/51/51/632625151.db2.gz XIVGVDDSFBXFBX-VXGBXAGGSA-N 0 1 283.799 2.804 20 10 CFCDMN COc1cccc([C@@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000846168015 632651593 /nfs/dbraw/zinc/65/15/93/632651593.db2.gz GBNCYOMENRGUBA-GHMZBOCLSA-N 0 1 275.352 2.546 20 10 CFCDMN CCc1ncc(CN[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846167770 632652293 /nfs/dbraw/zinc/65/22/93/632652293.db2.gz DJOJIDJOHOSALC-JTQLQIEISA-N 0 1 276.336 2.802 20 10 CFCDMN COc1cccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000846170017 632653101 /nfs/dbraw/zinc/65/31/01/632653101.db2.gz USQSEUIZMNLSEN-MDZLAQPJSA-N 0 1 287.363 2.954 20 10 CFCDMN Cc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])ccc1N(C)C ZINC000846266400 632678705 /nfs/dbraw/zinc/67/87/05/632678705.db2.gz ZLWCSNNEZJGIRX-OAHLLOKOSA-N 0 1 290.407 2.890 20 10 CFCDMN CCNCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951143 632751551 /nfs/dbraw/zinc/75/15/51/632751551.db2.gz AFDIKDSBGMPUNI-QMMMGPOBSA-N 0 1 277.195 2.959 20 10 CFCDMN CC[NH2+]CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817951388 632751646 /nfs/dbraw/zinc/75/16/46/632751646.db2.gz DYEHFKIYGWZAPX-MRVPVSSYSA-N 0 1 277.195 2.959 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccc(Cl)c1[O-] ZINC000817979965 632776752 /nfs/dbraw/zinc/77/67/52/632776752.db2.gz QRDOXCMKXPYLNU-PTRXPTGYSA-N 0 1 256.777 2.822 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631063 632884936 /nfs/dbraw/zinc/88/49/36/632884936.db2.gz BHMYPODHXAJSBL-ZANVPECISA-N 0 1 283.755 2.731 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1C ZINC000818631360 632884962 /nfs/dbraw/zinc/88/49/62/632884962.db2.gz GBFRZOJDMZMDNM-BONVTDFDSA-N 0 1 277.364 2.694 20 10 CFCDMN CN(C)c1ccc(CN[C@@H]2CCCn3ccnc32)cc1 ZINC000848520661 633273968 /nfs/dbraw/zinc/27/39/68/633273968.db2.gz QZNVPTUEVLKWER-OAHLLOKOSA-N 0 1 270.380 2.574 20 10 CFCDMN CCc1cccc(CN[C@@H](C)c2nnc3ccccn32)c1O ZINC000848892611 633379874 /nfs/dbraw/zinc/37/98/74/633379874.db2.gz BRYAHHOBPXDARC-LBPRGKRZSA-N 0 1 296.374 2.848 20 10 CFCDMN CCc1cccc(CN[C@H](CCO)c2ccco2)c1O ZINC000848903337 633390421 /nfs/dbraw/zinc/39/04/21/633390421.db2.gz QAKVQTPIGXXTGO-CQSZACIVSA-N 0 1 275.348 2.761 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000850486249 634014673 /nfs/dbraw/zinc/01/46/73/634014673.db2.gz AAEXMGISEJILKJ-RNCFNFMXSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487988 634015646 /nfs/dbraw/zinc/01/56/46/634015646.db2.gz KNLJZPXRFYPQMV-NOZJJQNGSA-N 0 1 269.772 2.857 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000850530477 634037957 /nfs/dbraw/zinc/03/79/57/634037957.db2.gz ZBXBAJNYXGXRPS-WCBMZHEXSA-N 0 1 288.185 2.576 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2Cl)c1 ZINC000857046068 635916931 /nfs/dbraw/zinc/91/69/31/635916931.db2.gz GMTYWIMKKDNPKT-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@@H]1CO[C@@H](C)CN1Cc1cc2c(cc1O)CCCC2 ZINC000159765600 650276347 /nfs/dbraw/zinc/27/63/47/650276347.db2.gz BHGGQHAQNYQBFD-OLZOCXBDSA-N 0 1 275.392 2.880 20 10 CFCDMN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862233402 637293326 /nfs/dbraw/zinc/29/33/26/637293326.db2.gz VZZINTNSCWHYGG-JTQLQIEISA-N 0 1 254.324 2.873 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@H](CCO)C2)cc1F ZINC000862240945 637296450 /nfs/dbraw/zinc/29/64/50/637296450.db2.gz QGUCMKUMMHVSBD-GFCCVEGCSA-N 0 1 298.377 2.625 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442445 637382651 /nfs/dbraw/zinc/38/26/51/637382651.db2.gz CCCOZKBMCBAART-DTORHVGOSA-N 0 1 268.154 2.606 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442445 637382658 /nfs/dbraw/zinc/38/26/58/637382658.db2.gz CCCOZKBMCBAART-DTORHVGOSA-N 0 1 268.154 2.606 20 10 CFCDMN COc1ccc(O)c(CN2CCc3c(O)cccc3C2)c1 ZINC000862530297 637409054 /nfs/dbraw/zinc/40/90/54/637409054.db2.gz YTYPMAJVYBCYIX-UHFFFAOYSA-N 0 1 285.343 2.665 20 10 CFCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1C(N)=O ZINC000864028223 637837017 /nfs/dbraw/zinc/83/70/17/637837017.db2.gz QVPHGNVSADBOBM-UHFFFAOYSA-N 0 1 292.285 2.690 20 10 CFCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1F ZINC000189428062 650380405 /nfs/dbraw/zinc/38/04/05/650380405.db2.gz GBKQQROMMQIFIV-UHFFFAOYSA-N 0 1 295.335 2.895 20 10 CFCDMN COc1cnccc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000189559260 650388964 /nfs/dbraw/zinc/38/89/64/650388964.db2.gz PQPWHLYEGBMZNV-LBPRGKRZSA-N 0 1 284.359 2.876 20 10 CFCDMN CC[C@@H](NCc1nonc1C)c1ccc(C)cc1O ZINC000872136265 641664974 /nfs/dbraw/zinc/66/49/74/641664974.db2.gz KZBXKBKAFBVYGW-GFCCVEGCSA-N 0 1 261.325 2.633 20 10 CFCDMN Nc1ccc2c(c1)OCCN(Cc1cc(F)ccc1O)C2 ZINC000873219743 642073385 /nfs/dbraw/zinc/07/33/85/642073385.db2.gz NMVUQCBLSOJYNG-UHFFFAOYSA-N 0 1 288.322 2.508 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccco1 ZINC000083551412 650764809 /nfs/dbraw/zinc/76/48/09/650764809.db2.gz DAGBNEUDSSPUAU-UHFFFAOYSA-N 0 1 251.713 2.971 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCc3ccc(O)cc3C2)ccc(F)c1F ZINC000876616426 642945877 /nfs/dbraw/zinc/94/58/77/642945877.db2.gz MSGPMGVGTDPACG-UHFFFAOYSA-N 0 1 291.297 2.934 20 10 CFCDMN Cc1cccc(O)c1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000876746679 642991554 /nfs/dbraw/zinc/99/15/54/642991554.db2.gz NPSUAJGEQXQBQV-GOSISDBHSA-N 0 1 299.370 2.980 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000876758845 642998753 /nfs/dbraw/zinc/99/87/53/642998753.db2.gz LCOAGFVMXXPRCA-WCQYABFASA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000876758845 642998755 /nfs/dbraw/zinc/99/87/55/642998755.db2.gz LCOAGFVMXXPRCA-WCQYABFASA-N 0 1 298.377 2.975 20 10 CFCDMN Cc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(O)c1 ZINC000876790383 643010221 /nfs/dbraw/zinc/01/02/21/643010221.db2.gz FHUUBFDXFOYDKD-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN Cc1ccc(CN2CCO[C@H](c3ccco3)C2)c(O)c1 ZINC000876790383 643010228 /nfs/dbraw/zinc/01/02/28/643010228.db2.gz FHUUBFDXFOYDKD-INIZCTEOSA-N 0 1 273.332 2.867 20 10 CFCDMN C[N@@H+]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000876812081 643020985 /nfs/dbraw/zinc/02/09/85/643020985.db2.gz JHVUZBZQKQYGCO-SMDDNHRTSA-N 0 1 296.361 2.587 20 10 CFCDMN C[N@H+]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000876812081 643020993 /nfs/dbraw/zinc/02/09/93/643020993.db2.gz JHVUZBZQKQYGCO-SMDDNHRTSA-N 0 1 296.361 2.587 20 10 CFCDMN COc1cc(CNCc2ccc(N(C)C)c(F)c2)sn1 ZINC000876989499 643095425 /nfs/dbraw/zinc/09/54/25/643095425.db2.gz VSXXSTYANFCHPH-UHFFFAOYSA-N 0 1 295.383 2.647 20 10 CFCDMN Cc1ccc(CNCc2ccn(C(C)C)n2)c(O)c1 ZINC000877053496 643123174 /nfs/dbraw/zinc/12/31/74/643123174.db2.gz PGDOJQHRQDMMJV-UHFFFAOYSA-N 0 1 259.353 2.768 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000877167108 643185417 /nfs/dbraw/zinc/18/54/17/643185417.db2.gz NCVBFAMRPFNEPS-ZWNOBZJWSA-N 0 1 285.334 2.653 20 10 CFCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465250 643285955 /nfs/dbraw/zinc/28/59/55/643285955.db2.gz SCUCFSYOPRJKAY-BREBYQMCSA-N 0 1 285.334 2.652 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(F)c(F)c1[O-])C2 ZINC000877516543 643321204 /nfs/dbraw/zinc/32/12/04/643321204.db2.gz BWRJBLVHIGOIMX-FUNVUKJBSA-N 0 1 296.361 2.727 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(F)c(F)c1[O-])C2 ZINC000877516543 643321209 /nfs/dbraw/zinc/32/12/09/643321209.db2.gz BWRJBLVHIGOIMX-FUNVUKJBSA-N 0 1 296.361 2.727 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc(F)c1F ZINC000877563045 643363161 /nfs/dbraw/zinc/36/31/61/643363161.db2.gz FOORXDOELXFDHO-MRVWCRGKSA-N 0 1 297.345 2.796 20 10 CFCDMN OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000877617625 643403524 /nfs/dbraw/zinc/40/35/24/643403524.db2.gz YCEYAEYSILJMPI-OAHLLOKOSA-N 0 1 292.398 2.582 20 10 CFCDMN OC1CCN(c2ccc(CN3CCC[C@@H](F)C3)cc2)CC1 ZINC000877617625 643403530 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SPWOFBLSVJCXCC-UWVGGRQHSA-N 0 1 297.757 2.986 20 10 CFCDMN [O-]c1cc(F)c(F)cc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154627 779028404 /nfs/dbraw/zinc/02/84/04/779028404.db2.gz LZJRJZCTMGQMOG-CYBMUJFWSA-N 0 1 296.361 2.777 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)O ZINC001237621873 779146224 /nfs/dbraw/zinc/14/62/24/779146224.db2.gz HYGBUFWXGPHTCB-UHFFFAOYSA-N 0 1 275.751 2.778 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237622759 779147488 /nfs/dbraw/zinc/14/74/88/779147488.db2.gz YZGYOWUSFSUJCH-ZANVPECISA-N 0 1 285.746 2.796 20 10 CFCDMN C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001237799821 779181549 /nfs/dbraw/zinc/18/15/49/779181549.db2.gz IHQSBMPHGFROKF-PWSUYJOCSA-N 0 1 298.789 2.568 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2(CSC2)C1 ZINC001237802724 779182662 /nfs/dbraw/zinc/18/26/62/779182662.db2.gz OFZHOHILAGOHTR-UHFFFAOYSA-N 0 1 273.760 2.734 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCOCC(F)(F)C1 ZINC001237807858 779183422 /nfs/dbraw/zinc/18/34/22/779183422.db2.gz NIVXTHWFHBJVCR-UHFFFAOYSA-N 0 1 295.688 2.652 20 10 CFCDMN CC[N@@H+]1C[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237804133 779183679 /nfs/dbraw/zinc/18/36/79/779183679.db2.gz XYFGSGYRQNDYBJ-TXEJJXNPSA-N 0 1 298.789 2.568 20 10 CFCDMN CCc1ncc(CN2CCc3cccc(O)c3C2)s1 ZINC001237829653 779190066 /nfs/dbraw/zinc/19/00/66/779190066.db2.gz YAVUDGCTTHHUMT-UHFFFAOYSA-N 0 1 274.389 2.969 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237948617 779214650 /nfs/dbraw/zinc/21/46/50/779214650.db2.gz FNODBEYZBYVNNN-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@@H]2C1 ZINC001237948617 779214656 /nfs/dbraw/zinc/21/46/56/779214656.db2.gz FNODBEYZBYVNNN-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@@H]2C1 ZINC001237948617 779214663 /nfs/dbraw/zinc/21/46/63/779214663.db2.gz FNODBEYZBYVNNN-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CN(Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219581 779505029 /nfs/dbraw/zinc/50/50/29/779505029.db2.gz WHVXFBWNTSOOPV-NWDGAFQWSA-N 0 1 286.778 2.886 20 10 CFCDMN CCCN(Cc1cc(F)c(Cl)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236324532 779542441 /nfs/dbraw/zinc/54/24/41/779542441.db2.gz QXRFQHPUNNZAQB-NSHDSACASA-N 0 1 286.778 2.759 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001237933669 779724275 /nfs/dbraw/zinc/72/42/75/779724275.db2.gz FMYQEZTUHLNHRB-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1cc(F)cc(CN2CCO[C@H](C(C)C)C2)c1O ZINC001238070018 779739593 /nfs/dbraw/zinc/73/95/93/779739593.db2.gz MEUYTDNQMKEIBT-AWEZNQCLSA-N 0 1 267.344 2.697 20 10 CFCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1C=CCC1 ZINC000701057357 780755920 /nfs/dbraw/zinc/75/59/20/780755920.db2.gz MBFWANFLVMEDDS-NSHDSACASA-N 0 1 268.154 2.963 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001137831651 780857474 /nfs/dbraw/zinc/85/74/74/780857474.db2.gz IOUAPLNFKDPXLI-IAQYHMDHSA-N 0 1 265.328 2.532 20 10 CFCDMN CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000703504436 781017648 /nfs/dbraw/zinc/01/76/48/781017648.db2.gz YPDANGBEGWSLCB-GFCCVEGCSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504436 781017654 /nfs/dbraw/zinc/01/76/54/781017654.db2.gz YPDANGBEGWSLCB-GFCCVEGCSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504436 781017656 /nfs/dbraw/zinc/01/76/56/781017656.db2.gz YPDANGBEGWSLCB-GFCCVEGCSA-N 0 1 284.350 2.587 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1 ZINC000703531939 781026301 /nfs/dbraw/zinc/02/63/01/781026301.db2.gz RQUQSNUOQRZSAK-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1 ZINC000703531939 781026307 /nfs/dbraw/zinc/02/63/07/781026307.db2.gz RQUQSNUOQRZSAK-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540715 781027628 /nfs/dbraw/zinc/02/76/28/781027628.db2.gz JYFWEEVIYKKWHL-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703540715 781027634 /nfs/dbraw/zinc/02/76/34/781027634.db2.gz JYFWEEVIYKKWHL-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C=CCC1 ZINC000706824852 781204853 /nfs/dbraw/zinc/20/48/53/781204853.db2.gz KXKFRGIOKRNFKA-VIFPVBQESA-N 0 1 268.154 2.963 20 10 CFCDMN C[C@@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706829977 781205082 /nfs/dbraw/zinc/20/50/82/781205082.db2.gz JJPWFMQXSWRSNY-BDAKNGLRSA-N 0 1 270.170 2.900 20 10 CFCDMN CSCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706833792 781205201 /nfs/dbraw/zinc/20/52/01/781205201.db2.gz HLCOJWJPAALTEJ-UHFFFAOYSA-N 0 1 290.226 2.997 20 10 CFCDMN CC[N@@H+](CCOC)Cc1c(O)cccc1Br ZINC000707144003 781225739 /nfs/dbraw/zinc/22/57/39/781225739.db2.gz WXKSLHDQNZIAMY-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CCN(CCOC)Cc1c(O)cccc1Br ZINC000707144003 781225743 /nfs/dbraw/zinc/22/57/43/781225743.db2.gz WXKSLHDQNZIAMY-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CC[N@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144003 781225746 /nfs/dbraw/zinc/22/57/46/781225746.db2.gz WXKSLHDQNZIAMY-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CC[N@@H+](CCOC)Cc1c([O-])cccc1Br ZINC000707144003 781225750 /nfs/dbraw/zinc/22/57/50/781225750.db2.gz WXKSLHDQNZIAMY-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CC[C@@]1(C)COCCN1Cc1cc(F)cc(F)c1O ZINC000708382970 781271348 /nfs/dbraw/zinc/27/13/48/781271348.db2.gz IXZRHXYBUFWDFP-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383251 781272244 /nfs/dbraw/zinc/27/22/44/781272244.db2.gz KWWGJADZMYZFRG-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708413667 781273245 /nfs/dbraw/zinc/27/32/45/781273245.db2.gz MPSIQCXZRNABBI-TVQRCGJNSA-N 0 1 271.307 2.527 20 10 CFCDMN CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414220 781274109 /nfs/dbraw/zinc/27/41/09/781274109.db2.gz PKUOOBTWVOFSDV-JOYOIKCWSA-N 0 1 271.307 2.670 20 10 CFCDMN CCC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708433197 781274701 /nfs/dbraw/zinc/27/47/01/781274701.db2.gz JDDLTQJIXWQMCL-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN CC(C)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709001980 781286711 /nfs/dbraw/zinc/28/67/11/781286711.db2.gz XQCPVCAJTAONKY-LBPRGKRZSA-N 0 1 271.307 2.527 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709001980 781286720 /nfs/dbraw/zinc/28/67/20/781286720.db2.gz XQCPVCAJTAONKY-LBPRGKRZSA-N 0 1 271.307 2.527 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711492958 781445510 /nfs/dbraw/zinc/44/55/10/781445510.db2.gz WEEKPVLQSGNMLR-VIFPVBQESA-N 0 1 288.160 2.946 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H](CO)c1ccccc1 ZINC000295102617 199346265 /nfs/dbraw/zinc/34/62/65/199346265.db2.gz SZSXUHVVHDJFKQ-HNNXBMFYSA-N 0 1 275.323 2.697 20 10 CFCDMN CC(C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132484008 347884631 /nfs/dbraw/zinc/88/46/31/347884631.db2.gz KBVUHIXHEOZINN-UHFFFAOYSA-N 0 1 258.159 2.995 20 10 CFCDMN O=S(=O)(CCCCF)Nc1cc(Cl)c(O)cc1F ZINC000295195537 199399189 /nfs/dbraw/zinc/39/91/89/199399189.db2.gz LZYMHHQTBIRZJF-UHFFFAOYSA-N 0 1 299.726 2.676 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)C1CCC1 ZINC000294593872 199100198 /nfs/dbraw/zinc/10/01/98/199100198.db2.gz HNTLEBMBOMJPEA-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000191200455 296129584 /nfs/dbraw/zinc/12/95/84/296129584.db2.gz FUOBCFRWCOUNSU-MNOVXSKESA-N 0 1 296.361 2.805 20 10 CFCDMN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)ccc1[O-] ZINC000185638477 296130992 /nfs/dbraw/zinc/13/09/92/296130992.db2.gz PIUWLDVPJHJJJX-RNCFNFMXSA-N 0 1 287.812 2.564 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC3(CCCC3)C2)c1 ZINC000093589257 375270163 /nfs/dbraw/zinc/27/01/63/375270163.db2.gz GHZWRCBYINJBTP-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Cl)N1CCCCC1 ZINC000113324040 376011221 /nfs/dbraw/zinc/01/12/21/376011221.db2.gz BJNCXFHSIGYFBE-UHFFFAOYSA-N 0 1 296.798 2.538 20 10 CFCDMN CC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000127961906 377310599 /nfs/dbraw/zinc/31/05/99/377310599.db2.gz RDCGSXKEKCYTJW-UHFFFAOYSA-N 0 1 264.152 2.513 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@H]3CCC[C@@H]32)c(O)c1 ZINC000132776498 377876102 /nfs/dbraw/zinc/87/61/02/377876102.db2.gz SVRSWQRFROYZRO-RDJZCZTQSA-N 0 1 291.391 2.934 20 10 CFCDMN C[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134921207 378064380 /nfs/dbraw/zinc/06/43/80/378064380.db2.gz MJXGZRUNNDRHBE-IUCAKERBSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H]1OCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000180257443 380640405 /nfs/dbraw/zinc/64/04/05/380640405.db2.gz FCGKNKLAHATLMR-UWVGGRQHSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@@H]1OCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000180257443 380640410 /nfs/dbraw/zinc/64/04/10/380640410.db2.gz FCGKNKLAHATLMR-UWVGGRQHSA-N 0 1 255.745 2.655 20 10 CFCDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179844032 380586263 /nfs/dbraw/zinc/58/62/63/380586263.db2.gz PQOLHFBTNSWFLV-LBPRGKRZSA-N 0 1 297.782 2.821 20 10 CFCDMN COc1ccc(O)c(C[N@@H+](C)CCc2ncc(C)s2)c1 ZINC000180558226 380676787 /nfs/dbraw/zinc/67/67/87/380676787.db2.gz YHCNMRPEUZZQJL-UHFFFAOYSA-N 0 1 292.404 2.840 20 10 CFCDMN CCOC(=O)[C@H]1CCCN1Cc1cccc(Cl)c1O ZINC000180763747 380698501 /nfs/dbraw/zinc/69/85/01/380698501.db2.gz FIZAPYRFRBWBNR-GFCCVEGCSA-N 0 1 283.755 2.573 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC000295376738 380816624 /nfs/dbraw/zinc/81/66/24/380816624.db2.gz OTCFCJRIGMVHLE-ZDUSSCGKSA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1=CCCOC1 ZINC000288501305 381013992 /nfs/dbraw/zinc/01/39/92/381013992.db2.gz RZLINKCLAAPURU-UHFFFAOYSA-N 0 1 298.180 2.591 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc(C(C)C)[nH]2)c1 ZINC000296639403 381485216 /nfs/dbraw/zinc/48/52/16/381485216.db2.gz XYMKRQFCQZQRRU-LLVKDONJSA-N 0 1 274.368 2.793 20 10 CFCDMN C[C@@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185078681 381530444 /nfs/dbraw/zinc/53/04/44/381530444.db2.gz ZYXMRJDLVKMSSY-SECBINFHSA-N 0 1 255.745 2.875 20 10 CFCDMN COCCC1(C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000297428623 381560954 /nfs/dbraw/zinc/56/09/54/381560954.db2.gz OEHRAPDARQHPEW-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000185702031 381710259 /nfs/dbraw/zinc/71/02/59/381710259.db2.gz DHBVQHKOTODSAR-WCQYABFASA-N 0 1 299.798 2.892 20 10 CFCDMN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185606276 381679399 /nfs/dbraw/zinc/67/93/99/381679399.db2.gz AJKXGDYVPVZJPO-NWDGAFQWSA-N 0 1 269.360 2.981 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)n[nH]1 ZINC000186131649 381830551 /nfs/dbraw/zinc/83/05/51/381830551.db2.gz ZBPPQMHBZPDLPM-ONGXEEELSA-N 0 1 277.343 2.845 20 10 CFCDMN COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186134746 381831865 /nfs/dbraw/zinc/83/18/65/381831865.db2.gz JXGWLULMSUZACC-LLVKDONJSA-N 0 1 267.344 2.999 20 10 CFCDMN COc1cc(Cl)cc(CN2CCC[C@H]3OCC[C@H]32)c1O ZINC000373487113 382016289 /nfs/dbraw/zinc/01/62/89/382016289.db2.gz BEJMCFRJPYLNDF-CHWSQXEVSA-N 0 1 297.782 2.808 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000187670318 382240487 /nfs/dbraw/zinc/24/04/87/382240487.db2.gz OSCDOCYNOHCZIZ-JCOFBHIZSA-N 0 1 269.772 2.856 20 10 CFCDMN CC[C@@H](c1ccccc1O)N1CCC[C@@H]1c1nncn1C ZINC000377694997 382324018 /nfs/dbraw/zinc/32/40/18/382324018.db2.gz LKIDOLYSFLEZTL-UONOGXRCSA-N 0 1 286.379 2.809 20 10 CFCDMN Cc1c2ccccc2n(C)c1CNCc1ccc(C)nn1 ZINC000396616517 382631437 /nfs/dbraw/zinc/63/14/37/382631437.db2.gz GLYXAJZEDAUNMZ-UHFFFAOYSA-N 0 1 280.375 2.875 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H](O)C1CCCCC1 ZINC000190861061 382683034 /nfs/dbraw/zinc/68/30/34/382683034.db2.gz YLVALZCIWOJMBE-MRXNPFEDSA-N 0 1 263.381 2.765 20 10 CFCDMN CN(C)c1ccc(CNCCF)c(C(F)(F)F)c1 ZINC000280689125 385114367 /nfs/dbraw/zinc/11/43/67/385114367.db2.gz OEYCJKSHONTQOR-UHFFFAOYSA-N 0 1 264.266 2.831 20 10 CFCDMN CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccccc1O ZINC000282455117 385315335 /nfs/dbraw/zinc/31/53/35/385315335.db2.gz FRNRDJKQNYSDJS-CYBMUJFWSA-N 0 1 288.395 2.980 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@@H](C)C1 ZINC000282389879 385299601 /nfs/dbraw/zinc/29/96/01/385299601.db2.gz RCEWIMDGCSUYBB-JQWIXIFHSA-N 0 1 253.317 2.531 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000271176888 385363596 /nfs/dbraw/zinc/36/35/96/385363596.db2.gz GJTDSGMIBRLQKY-SNVBAGLBSA-N 0 1 283.755 2.573 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000271176888 385363598 /nfs/dbraw/zinc/36/35/98/385363598.db2.gz GJTDSGMIBRLQKY-SNVBAGLBSA-N 0 1 283.755 2.573 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000271244943 385377931 /nfs/dbraw/zinc/37/79/31/385377931.db2.gz BXUDJHCLTUUTIS-PRHODGIISA-N 0 1 290.190 2.902 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC[C@@H]1O ZINC000271874441 385395505 /nfs/dbraw/zinc/39/55/05/385395505.db2.gz SSXVDOQBEPBXIG-GWCFXTLKSA-N 0 1 269.772 2.638 20 10 CFCDMN CCCC[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000271856556 385395539 /nfs/dbraw/zinc/39/55/39/385395539.db2.gz XMJXHXJIJUXEMM-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273299212 385675491 /nfs/dbraw/zinc/67/54/91/385675491.db2.gz AVYVSOFGAFYFEP-LLVKDONJSA-N 0 1 295.383 2.539 20 10 CFCDMN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273348070 385676985 /nfs/dbraw/zinc/67/69/85/385676985.db2.gz BEMQWBDEILESRK-CLFVBBPSSA-N 0 1 289.828 2.853 20 10 CFCDMN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273553518 385687483 /nfs/dbraw/zinc/68/74/83/385687483.db2.gz GLCUGFVWNBXRKB-CHWSQXEVSA-N 0 1 296.374 2.876 20 10 CFCDMN C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccccc1 ZINC000109772334 393879701 /nfs/dbraw/zinc/87/97/01/393879701.db2.gz KFPAINJBHVRUHS-CQSZACIVSA-N 0 1 298.386 2.701 20 10 CFCDMN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124543534 297156948 /nfs/dbraw/zinc/15/69/48/297156948.db2.gz QVXCZYRBJSKITH-ZJUUUORDSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124543534 297156950 /nfs/dbraw/zinc/15/69/50/297156950.db2.gz QVXCZYRBJSKITH-ZJUUUORDSA-N 0 1 255.745 2.655 20 10 CFCDMN CC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000020194928 171060415 /nfs/dbraw/zinc/06/04/15/171060415.db2.gz YFFASIRIZNFNFD-WCQYABFASA-N 0 1 259.349 2.967 20 10 CFCDMN Cc1nccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038037688 260125028 /nfs/dbraw/zinc/12/50/28/260125028.db2.gz LSYUCXVXZAONBP-GFCCVEGCSA-N 0 1 270.380 2.702 20 10 CFCDMN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000371556213 261365172 /nfs/dbraw/zinc/36/51/72/261365172.db2.gz WZCGXPRFOCBZNT-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000371556213 261365174 /nfs/dbraw/zinc/36/51/74/261365174.db2.gz WZCGXPRFOCBZNT-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000294214246 265002445 /nfs/dbraw/zinc/00/24/45/265002445.db2.gz YLCNDZLZUDWVGW-MRXNPFEDSA-N 0 1 263.381 2.623 20 10 CFCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294214246 265002450 /nfs/dbraw/zinc/00/24/50/265002450.db2.gz YLCNDZLZUDWVGW-MRXNPFEDSA-N 0 1 263.381 2.623 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Cl)ccc1[O-] ZINC000367710955 267111907 /nfs/dbraw/zinc/11/19/07/267111907.db2.gz ZIXSKKCBUMUVMY-STRQVWJDSA-N 0 1 267.756 2.589 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000367972954 267131925 /nfs/dbraw/zinc/13/19/25/267131925.db2.gz NMORDKHRGZYGTC-ZYHUDNBSSA-N 0 1 292.335 2.683 20 10 CFCDMN Cc1c([C@@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])cnn1C ZINC000368463298 267175009 /nfs/dbraw/zinc/17/50/09/267175009.db2.gz XZROENVSOBKGCG-HNNXBMFYSA-N 0 1 289.354 2.910 20 10 CFCDMN CC[C@@H](N[C@H]1CCCn2c(C)nnc21)c1ccccc1O ZINC000369972372 267280332 /nfs/dbraw/zinc/28/03/32/267280332.db2.gz FMVJGPFLYCPZGF-KGLIPLIRSA-N 0 1 286.379 2.868 20 10 CFCDMN CC[C@H](N[C@H]1CCCn2c(C)nnc21)c1ccccc1O ZINC000369972371 267280426 /nfs/dbraw/zinc/28/04/26/267280426.db2.gz FMVJGPFLYCPZGF-KBPBESRZSA-N 0 1 286.379 2.868 20 10 CFCDMN CC(C)OCCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272249122 519761823 /nfs/dbraw/zinc/76/18/23/519761823.db2.gz HXISYUIYJPDKNG-UHFFFAOYSA-N 0 1 255.333 2.778 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000280473532 520474437 /nfs/dbraw/zinc/47/44/37/520474437.db2.gz NJCHCDCTKQMKLX-LLVKDONJSA-N 0 1 290.190 2.902 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)C[C@@H]2CCCCO2)c1O ZINC000048949095 518283067 /nfs/dbraw/zinc/28/30/67/518283067.db2.gz JWMVNVPASAJJRH-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CCC[C@@H]1CN(Cc2cccc(OCC)c2O)CCO1 ZINC000093508671 520841700 /nfs/dbraw/zinc/84/17/00/520841700.db2.gz QTLVILKARWHDMV-CQSZACIVSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000281024409 521141196 /nfs/dbraw/zinc/14/11/96/521141196.db2.gz MOABIYLKDBKXBE-LOWVWBTDSA-N 0 1 295.354 2.914 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000280482856 521147538 /nfs/dbraw/zinc/14/75/38/521147538.db2.gz DSRFUAWUOFPKRU-YVEFUNNKSA-N 0 1 291.391 2.790 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000280482833 521148140 /nfs/dbraw/zinc/14/81/40/521148140.db2.gz DSRFUAWUOFPKRU-PXAZEXFGSA-N 0 1 291.391 2.790 20 10 CFCDMN CCOc1cccc(CNCc2oc(CC)nc2C)c1O ZINC000291774165 521367765 /nfs/dbraw/zinc/36/77/65/521367765.db2.gz UBCMLKXVJUJKRL-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000278419016 521653166 /nfs/dbraw/zinc/65/31/66/521653166.db2.gz IJJIMRDEZAMPKI-CKQAKLJMSA-N 0 1 299.798 2.626 20 10 CFCDMN COC(=O)c1ccc(CNCc2cc(C)c(C)cc2O)o1 ZINC000266176992 522033204 /nfs/dbraw/zinc/03/32/04/522033204.db2.gz DVCVCRJVCIFBNQ-UHFFFAOYSA-N 0 1 289.331 2.678 20 10 CFCDMN CC[C@@H](CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000095015909 522508341 /nfs/dbraw/zinc/50/83/41/522508341.db2.gz OJOJKWCPKLSPBE-JTQLQIEISA-N 0 1 257.761 2.544 20 10 CFCDMN COCC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000070081432 522936145 /nfs/dbraw/zinc/93/61/45/522936145.db2.gz DVDMALVZJNDRLA-UHFFFAOYSA-N 0 1 295.354 2.592 20 10 CFCDMN COCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000070081432 522936156 /nfs/dbraw/zinc/93/61/56/522936156.db2.gz DVDMALVZJNDRLA-UHFFFAOYSA-N 0 1 295.354 2.592 20 10 CFCDMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000289744144 523429044 /nfs/dbraw/zinc/42/90/44/523429044.db2.gz HRAACRYOWLSNMX-BDAKNGLRSA-N 0 1 288.185 2.668 20 10 CFCDMN COCCN(Cc1ccccn1)Cc1cc(C)ccc1O ZINC000289678634 523756508 /nfs/dbraw/zinc/75/65/08/523756508.db2.gz DYDYDPWUTNWGHA-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 CFCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000193881990 523966361 /nfs/dbraw/zinc/96/63/61/523966361.db2.gz AXAVBWQJNXNQMW-JFGNBEQYSA-N 0 1 281.327 2.524 20 10 CFCDMN COCCOCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000044693516 524011238 /nfs/dbraw/zinc/01/12/38/524011238.db2.gz CDKJQDUOAFSMEJ-CYBMUJFWSA-N 0 1 289.375 2.859 20 10 CFCDMN COc1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1C ZINC000265237300 524090330 /nfs/dbraw/zinc/09/03/30/524090330.db2.gz KBYDAUYMKRYXEC-MRXNPFEDSA-N 0 1 289.350 2.966 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2nccs2)c1 ZINC000041011908 524771636 /nfs/dbraw/zinc/77/16/36/524771636.db2.gz AFPZMWUJQPFDRI-VIFPVBQESA-N 0 1 264.350 2.708 20 10 CFCDMN C[C@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185078664 525297877 /nfs/dbraw/zinc/29/78/77/525297877.db2.gz ZYXMRJDLVKMSSY-VIFPVBQESA-N 0 1 255.745 2.875 20 10 CFCDMN Cc1n[nH]cc1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551803 525497108 /nfs/dbraw/zinc/49/71/08/525497108.db2.gz RULNDSUDVNMQTN-UHFFFAOYSA-N 0 1 279.771 2.800 20 10 CFCDMN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289972831 525838987 /nfs/dbraw/zinc/83/89/87/525838987.db2.gz ZMGUFSITBHVABM-UKRRQHHQSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000289972831 525838991 /nfs/dbraw/zinc/83/89/91/525838991.db2.gz ZMGUFSITBHVABM-UKRRQHHQSA-N 0 1 263.381 2.908 20 10 CFCDMN COc1cccc(CN(Cc2cccnc2)C2CC2)c1O ZINC000290393831 525925382 /nfs/dbraw/zinc/92/53/82/525925382.db2.gz IYRJTPKKCFYSSJ-UHFFFAOYSA-N 0 1 284.359 2.960 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366696862 526328113 /nfs/dbraw/zinc/32/81/13/526328113.db2.gz PRFDQRLGKREQEA-SMDDNHRTSA-N 0 1 265.328 2.532 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365158567 526347021 /nfs/dbraw/zinc/34/70/21/526347021.db2.gz SCKSZLPRNWBFSU-WDEREUQCSA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365158567 526347025 /nfs/dbraw/zinc/34/70/25/526347025.db2.gz SCKSZLPRNWBFSU-WDEREUQCSA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000086485866 526362756 /nfs/dbraw/zinc/36/27/56/526362756.db2.gz QOTGEZHMNAZZNW-GXFFZTMASA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000292224544 526524328 /nfs/dbraw/zinc/52/43/28/526524328.db2.gz RBIKNOKEJDMWOQ-UHFFFAOYSA-N 0 1 287.411 2.590 20 10 CFCDMN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756365766 574230054 /nfs/dbraw/zinc/23/00/54/574230054.db2.gz ZQTABBCMPHOGKO-JTQLQIEISA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2ccccc2)c(O)c1 ZINC000756381047 574231382 /nfs/dbraw/zinc/23/13/82/574231382.db2.gz IWTWFQBGTCIXAD-MLGOLLRUSA-N 0 1 284.359 2.578 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)cc1C(C)C ZINC000740089849 574235561 /nfs/dbraw/zinc/23/55/61/574235561.db2.gz ZDERZWZQZIRGOT-CYBMUJFWSA-N 0 1 292.379 2.666 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(F)cc(F)c1[O-] ZINC000756503819 574242292 /nfs/dbraw/zinc/24/22/92/574242292.db2.gz NBAAMPNOCSJVOF-VHSXEESVSA-N 0 1 272.339 2.661 20 10 CFCDMN C[C@@H]1C[C@@H](NCc2cc[nH]n2)c2c1c(F)ccc2O ZINC000756554923 574246884 /nfs/dbraw/zinc/24/68/84/574246884.db2.gz KBBIYLYKCDKLOV-LDYMZIIASA-N 0 1 261.300 2.593 20 10 CFCDMN CCc1cc(CN[C@@H](C)c2cc(OC)ccc2O)on1 ZINC000756604144 574251617 /nfs/dbraw/zinc/25/16/17/574251617.db2.gz DMKOIMFBNUBMMS-JTQLQIEISA-N 0 1 276.336 2.802 20 10 CFCDMN CCc1nncn1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756621801 574252639 /nfs/dbraw/zinc/25/26/39/574252639.db2.gz SOFDXQZIIWPJNO-JTQLQIEISA-N 0 1 294.786 2.550 20 10 CFCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756625700 574253205 /nfs/dbraw/zinc/25/32/05/574253205.db2.gz KWEYSFHBTXXZQT-NTZNESFSSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@@H]1C[C@H](NCc2ccn(C)n2)c2c1c(F)ccc2O ZINC000756776972 574262419 /nfs/dbraw/zinc/26/24/19/574262419.db2.gz FEHFNOAGWWYREI-SKDRFNHKSA-N 0 1 275.327 2.603 20 10 CFCDMN Cc1ccc([C@H](C)NCc2ccn(C)n2)c(O)c1C ZINC000756780185 574262478 /nfs/dbraw/zinc/26/24/78/574262478.db2.gz WFMWONUIBLGXEK-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000741262035 574285276 /nfs/dbraw/zinc/28/52/76/574285276.db2.gz UCMLELKISFMTRZ-CYBMUJFWSA-N 0 1 281.739 2.770 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000741752896 574300973 /nfs/dbraw/zinc/30/09/73/574300973.db2.gz HMOIPFKCXLOVDX-OKILXGFUSA-N 0 1 262.397 2.752 20 10 CFCDMN CC[N@@H+](CCC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000086754385 600423976 /nfs/dbraw/zinc/42/39/76/600423976.db2.gz WJMQBPABONSROY-UHFFFAOYSA-N 0 1 273.332 2.842 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000832900224 601819932 /nfs/dbraw/zinc/81/99/32/601819932.db2.gz TYPBJZXIXOQMSL-WFASDCNBSA-N 0 1 291.391 2.977 20 10 CFCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCO1 ZINC000095015918 617862675 /nfs/dbraw/zinc/86/26/75/617862675.db2.gz GLINVFJCNXZHNA-ZDUSSCGKSA-N 0 1 255.745 2.704 20 10 CFCDMN CCCCCCN(C)CC(=O)Nc1ccc(N)cc1 ZINC000160340466 617997670 /nfs/dbraw/zinc/99/76/70/617997670.db2.gz QIESFAKVJHELAP-UHFFFAOYSA-N 0 1 263.385 2.719 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000045723447 618048239 /nfs/dbraw/zinc/04/82/39/618048239.db2.gz CAJSHABHQVWLTA-VXGBXAGGSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000045723447 618048244 /nfs/dbraw/zinc/04/82/44/618048244.db2.gz CAJSHABHQVWLTA-VXGBXAGGSA-N 0 1 272.348 2.550 20 10 CFCDMN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000049592565 618059584 /nfs/dbraw/zinc/05/95/84/618059584.db2.gz JEFCLDPBUIHBNC-UHFFFAOYSA-N 0 1 286.375 2.714 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077204538 618150808 /nfs/dbraw/zinc/15/08/08/618150808.db2.gz KSMNDIMXTQBHRH-GXFFZTMASA-N 0 1 269.772 2.686 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077204537 618150876 /nfs/dbraw/zinc/15/08/76/618150876.db2.gz KSMNDIMXTQBHRH-MFKMUULPSA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCC(=O)NC2CC2)c(Cl)c1 ZINC000840874668 618211497 /nfs/dbraw/zinc/21/14/97/618211497.db2.gz AKDSZTRHPAZDOR-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN CCCN1CCC([N@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893968153 618255723 /nfs/dbraw/zinc/25/57/23/618255723.db2.gz ZKIWQMGBNGNOKV-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN CCCN1CCC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893968153 618255726 /nfs/dbraw/zinc/25/57/26/618255726.db2.gz ZKIWQMGBNGNOKV-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN Oc1c(F)cc(F)cc1CN(CC(F)F)C1CC1 ZINC000894014512 618274251 /nfs/dbraw/zinc/27/42/51/618274251.db2.gz MGAFPVNUTBNCBH-UHFFFAOYSA-N 0 1 263.234 2.900 20 10 CFCDMN COc1nccc(CNCc2ccc(N(C)C)cc2)c1F ZINC000892475835 618336048 /nfs/dbraw/zinc/33/60/48/618336048.db2.gz MENAFEWVBXNGRF-UHFFFAOYSA-N 0 1 289.354 2.585 20 10 CFCDMN CC[C@H](C)NC(=O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840880246 618426846 /nfs/dbraw/zinc/42/68/46/618426846.db2.gz JTLULCVGIQHHAT-NSHDSACASA-N 0 1 298.814 2.748 20 10 CFCDMN CCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000177581489 618454122 /nfs/dbraw/zinc/45/41/22/618454122.db2.gz JZXVPCJRUALKHV-ZDUSSCGKSA-N 0 1 257.761 2.686 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCOC1 ZINC000312725630 618478776 /nfs/dbraw/zinc/47/87/76/618478776.db2.gz IWGBNSGIWRDPKR-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCOC1 ZINC000312725630 618478777 /nfs/dbraw/zinc/47/87/77/618478777.db2.gz IWGBNSGIWRDPKR-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCOC1 ZINC000312725630 618478778 /nfs/dbraw/zinc/47/87/78/618478778.db2.gz IWGBNSGIWRDPKR-ZDUSSCGKSA-N 0 1 297.782 2.859 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCC[C@H]1O ZINC000895438473 618586523 /nfs/dbraw/zinc/58/65/23/618586523.db2.gz FEOYTRXUUZSSFM-DGCLKSJQSA-N 0 1 287.762 2.920 20 10 CFCDMN CC[C@@H](NCc1cc[nH]n1)c1ccc(N(C)C)cc1 ZINC000177956245 618615250 /nfs/dbraw/zinc/61/52/50/618615250.db2.gz KPMSEYJDRYMZMY-OAHLLOKOSA-N 0 1 258.369 2.717 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000310721062 618617615 /nfs/dbraw/zinc/61/76/15/618617615.db2.gz IGUDJEMDIIHMAA-MFKMUULPSA-N 0 1 269.772 2.686 20 10 CFCDMN COCCN(Cc1c(O)cc(C)cc1Cl)[C@H]1CCOC1 ZINC000840941094 619086432 /nfs/dbraw/zinc/08/64/32/619086432.db2.gz ROBQZYMJSZPIET-LBPRGKRZSA-N 0 1 299.798 2.591 20 10 CFCDMN C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000925787079 619111616 /nfs/dbraw/zinc/11/16/16/619111616.db2.gz WFHNXLXOBBVZQP-RGNHYFCHSA-N 0 1 289.206 2.958 20 10 CFCDMN C/C=C/C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894481217 619397592 /nfs/dbraw/zinc/39/75/92/619397592.db2.gz UHDDQAHXSNOVKB-FAAWYNLUSA-N 0 1 271.360 2.962 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894564021 619418979 /nfs/dbraw/zinc/41/89/79/619418979.db2.gz YSJQLSIWVHOJKL-VIFPVBQESA-N 0 1 273.348 2.998 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ocnc2C)c1 ZINC000894781659 619465801 /nfs/dbraw/zinc/46/58/01/619465801.db2.gz GZDUTEUXHLYACH-SECBINFHSA-N 0 1 262.309 2.548 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894799515 619469575 /nfs/dbraw/zinc/46/95/75/619469575.db2.gz NGVGBOZMLJYAFQ-AWEZNQCLSA-N 0 1 285.771 2.678 20 10 CFCDMN CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000895539724 619550399 /nfs/dbraw/zinc/55/03/99/619550399.db2.gz CAVOLCZHSIBVSH-UMSPYCQHSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895843831 619617307 /nfs/dbraw/zinc/61/73/07/619617307.db2.gz DAJOLPFMSVXNRW-CZUORRHYSA-N 0 1 261.365 2.702 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843832 619617448 /nfs/dbraw/zinc/61/74/48/619617448.db2.gz DAJOLPFMSVXNRW-XJKSGUPXSA-N 0 1 261.365 2.702 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1Cl ZINC000896552828 619761344 /nfs/dbraw/zinc/76/13/44/619761344.db2.gz JOYUMLAHPBLGIN-ZWNOBZJWSA-N 0 1 268.788 2.536 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC2CCOCC2)cc1Cl ZINC000897191452 619947289 /nfs/dbraw/zinc/94/72/89/619947289.db2.gz JIUGMVKIWSDXLR-UHFFFAOYSA-N 0 1 299.798 2.639 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841743090 620178202 /nfs/dbraw/zinc/17/82/02/620178202.db2.gz CATNXMGMLBCOHB-MWLCHTKSSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743744 620181651 /nfs/dbraw/zinc/18/16/51/620181651.db2.gz BYAUWXVCEFARFK-MNOVXSKESA-N 0 1 296.798 2.707 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n(C)n1 ZINC000841751609 620217426 /nfs/dbraw/zinc/21/74/26/620217426.db2.gz IFPINLAUIKDTNC-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841756841 620251811 /nfs/dbraw/zinc/25/18/11/620251811.db2.gz KTGFSIBLNUVZBO-OTYXRUKQSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)ccc1[O-] ZINC000841758414 620253132 /nfs/dbraw/zinc/25/31/32/620253132.db2.gz HHIVZAFFUNFMRU-JQEORGNBSA-N 0 1 255.745 2.610 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cnn(CCF)c1 ZINC000897738369 620281541 /nfs/dbraw/zinc/28/15/41/620281541.db2.gz ZYULXFZHMKZOSZ-UHFFFAOYSA-N 0 1 283.734 2.501 20 10 CFCDMN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000832569656 625417458 /nfs/dbraw/zinc/41/74/58/625417458.db2.gz HHVVVEVQMXYZGK-HUUCEWRRSA-N 0 1 295.354 2.781 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000926945083 620429411 /nfs/dbraw/zinc/42/94/11/620429411.db2.gz SWWPXEMGJSTKAR-HOZXKAFVSA-N 0 1 297.782 2.500 20 10 CFCDMN CC[C@H]([NH2+]CC1(N)CC1)c1cccc(Cl)c1[O-] ZINC000902407586 621056183 /nfs/dbraw/zinc/05/61/83/621056183.db2.gz RDPZUFAWKLEQJI-NSHDSACASA-N 0 1 254.761 2.578 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2csc(N)n2)c(O)c1C ZINC000902499019 621104913 /nfs/dbraw/zinc/10/49/13/621104913.db2.gz KCSCKDZIRBAPGX-SNVBAGLBSA-N 0 1 277.393 2.899 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000903212668 621289200 /nfs/dbraw/zinc/28/92/00/621289200.db2.gz JKRYIOBUWMJEIZ-MNOVXSKESA-N 0 1 296.798 2.565 20 10 CFCDMN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000903261337 621302986 /nfs/dbraw/zinc/30/29/86/621302986.db2.gz XAYJCXUVWJTSQU-DCBWTQNWSA-N 0 1 298.386 2.850 20 10 CFCDMN COc1nn(C)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000903338924 621334768 /nfs/dbraw/zinc/33/47/68/621334768.db2.gz VDMKTFILFYLOAS-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1[O-] ZINC000903328928 621340156 /nfs/dbraw/zinc/34/01/56/621340156.db2.gz HFJXJFFDEBWFSS-GRZMOONWSA-N 0 1 269.772 2.857 20 10 CFCDMN CC[C@@H](NCc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000903350770 621343289 /nfs/dbraw/zinc/34/32/89/621343289.db2.gz DFGGHDYNVWAVIM-MRXNPFEDSA-N 0 1 272.396 2.727 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2CCSCC2)cc1 ZINC000103862305 622881630 /nfs/dbraw/zinc/88/16/30/622881630.db2.gz YJKLYNPDUNGBFB-ARJAWSKDSA-N 0 1 262.422 2.815 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCC1CC1 ZINC000224523800 623006285 /nfs/dbraw/zinc/00/62/85/623006285.db2.gz VPOIEZSBJPZLLE-UHFFFAOYSA-N 0 1 255.745 2.562 20 10 CFCDMN COC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000227325993 623105653 /nfs/dbraw/zinc/10/56/53/623105653.db2.gz MLALWOFSTGLDJD-UHFFFAOYSA-N 0 1 255.745 2.704 20 10 CFCDMN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227374861 623108431 /nfs/dbraw/zinc/10/84/31/623108431.db2.gz SSUYHMMHQAOCSS-LBPRGKRZSA-N 0 1 271.788 2.932 20 10 CFCDMN C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000227372905 623108723 /nfs/dbraw/zinc/10/87/23/623108723.db2.gz ZSIXSXGSVIBYSQ-CQDKDKBSSA-N 0 1 278.371 2.809 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000227830083 623120563 /nfs/dbraw/zinc/12/05/63/623120563.db2.gz SJETZJLWXBECEI-STQMWFEESA-N 0 1 269.772 2.949 20 10 CFCDMN CCOc1cccc(CNCc2ncc(C)s2)c1O ZINC000230687113 623294944 /nfs/dbraw/zinc/29/49/44/623294944.db2.gz GOENJZPXQYCAPS-UHFFFAOYSA-N 0 1 278.377 2.846 20 10 CFCDMN COc1ccc(N2CCN(Cc3ccncc3C)CC2)cc1 ZINC000823382385 623305088 /nfs/dbraw/zinc/30/50/88/623305088.db2.gz JJTPLTGHUNQLSC-UHFFFAOYSA-N 0 1 297.402 2.721 20 10 CFCDMN CC(C)N(Cc1cc(Cl)ccc1O)C1COC1 ZINC000824471415 623510454 /nfs/dbraw/zinc/51/04/54/623510454.db2.gz AZKSNGFJHRIKFX-UHFFFAOYSA-N 0 1 255.745 2.655 20 10 CFCDMN COc1cccc(O)c1CN1CCC[C@](C)(F)C1 ZINC000824472465 623511091 /nfs/dbraw/zinc/51/10/91/623511091.db2.gz RXIOEHAGQGFRPA-AWEZNQCLSA-N 0 1 253.317 2.725 20 10 CFCDMN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000824556560 623523640 /nfs/dbraw/zinc/52/36/40/623523640.db2.gz YQUPRCYHONBJON-UHFFFAOYSA-N 0 1 298.434 2.959 20 10 CFCDMN CS[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000824683419 623544750 /nfs/dbraw/zinc/54/47/50/623544750.db2.gz JIOGWNJSANJBNO-LLVKDONJSA-N 0 1 257.786 2.983 20 10 CFCDMN CS[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000824683419 623544753 /nfs/dbraw/zinc/54/47/53/623544753.db2.gz JIOGWNJSANJBNO-LLVKDONJSA-N 0 1 257.786 2.983 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825016595 623607005 /nfs/dbraw/zinc/60/70/05/623607005.db2.gz FSNOBSNURPGPKJ-BXUZGUMPSA-N 0 1 287.363 2.783 20 10 CFCDMN [O-]c1c(C[NH2+]CCC2(CO)CC2)ccc2ccccc21 ZINC000825040604 623614400 /nfs/dbraw/zinc/61/44/00/623614400.db2.gz PIRPQLQZQRXROL-UHFFFAOYSA-N 0 1 271.360 2.798 20 10 CFCDMN C[C@H](O)CN(Cc1c(O)ccc(Cl)c1F)CC(F)F ZINC000825104398 623631034 /nfs/dbraw/zinc/63/10/34/623631034.db2.gz WDBNVKWHGDRMKD-ZETCQYMHSA-N 0 1 297.704 2.633 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cn2ccnc2)cc1Cl ZINC000825108540 623633158 /nfs/dbraw/zinc/63/31/58/623633158.db2.gz WIJCDZKMDCLHAU-LLVKDONJSA-N 0 1 279.771 2.729 20 10 CFCDMN COC[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825167725 623643035 /nfs/dbraw/zinc/64/30/35/623643035.db2.gz QEWSIZWPUXOUOP-VIFPVBQESA-N 0 1 257.761 2.726 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1Cl ZINC000825297746 623665428 /nfs/dbraw/zinc/66/54/28/623665428.db2.gz MQHNIZOJDBJRGQ-YPMHNXCESA-N 0 1 283.799 2.995 20 10 CFCDMN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Cl)C1 ZINC000825332004 623674788 /nfs/dbraw/zinc/67/47/88/623674788.db2.gz PXVZDZNDVOJLMG-GFCCVEGCSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)[N@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Cl)C1 ZINC000825332004 623674790 /nfs/dbraw/zinc/67/47/90/623674790.db2.gz PXVZDZNDVOJLMG-GFCCVEGCSA-N 0 1 282.815 2.960 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1Cl ZINC000825353046 623678725 /nfs/dbraw/zinc/67/87/25/623678725.db2.gz KVXKEYYYJWJFCH-ABAIWWIYSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC(F)(F)F)cc1Cl ZINC000825391341 623684976 /nfs/dbraw/zinc/68/49/76/623684976.db2.gz UCOZJIYGOXNEQQ-SECBINFHSA-N 0 1 297.704 2.757 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC(C)C)cc1Cl ZINC000825510226 623705113 /nfs/dbraw/zinc/70/51/13/623705113.db2.gz XQSLMNCZLHSKPV-UHFFFAOYSA-N 0 1 257.761 2.869 20 10 CFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825514751 623706236 /nfs/dbraw/zinc/70/62/36/623706236.db2.gz SCKFCWKUQZAVMS-DZGCQCFKSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CCC2)cc1Cl ZINC000825629205 623726218 /nfs/dbraw/zinc/72/62/18/623726218.db2.gz UDLMZCTVJCRFBP-UHFFFAOYSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC(F)(F)F)cc1Cl ZINC000825672001 623735862 /nfs/dbraw/zinc/73/58/62/623735862.db2.gz WCUGABVXESPDBQ-UHFFFAOYSA-N 0 1 283.677 2.980 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000825949407 623773538 /nfs/dbraw/zinc/77/35/38/623773538.db2.gz UDQITIMUWFXUTB-NSHDSACASA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)CCO)cc1Cl ZINC000826029293 623784799 /nfs/dbraw/zinc/78/47/99/623784799.db2.gz CLPJKHXISMZJLB-JTQLQIEISA-N 0 1 271.788 2.852 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043985 623786804 /nfs/dbraw/zinc/78/68/04/623786804.db2.gz XAJMWZPOBNBTTE-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043985 623786806 /nfs/dbraw/zinc/78/68/06/623786806.db2.gz XAJMWZPOBNBTTE-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@](C)(C3CC3)C2)c1 ZINC000826877583 623901170 /nfs/dbraw/zinc/90/11/70/623901170.db2.gz JOSAIIVRONSGQE-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151626 623954695 /nfs/dbraw/zinc/95/46/95/623954695.db2.gz GWUBDIBAADZGEM-HNNXBMFYSA-N 0 1 299.773 2.922 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000827537826 624026077 /nfs/dbraw/zinc/02/60/77/624026077.db2.gz ILIAXVSZUHCVSE-UHFFFAOYSA-N 0 1 291.366 2.922 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1Cl ZINC000827602755 624043360 /nfs/dbraw/zinc/04/33/60/624043360.db2.gz UOZQHGDCYUOFQQ-WCQYABFASA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1Cl ZINC000827602755 624043362 /nfs/dbraw/zinc/04/33/62/624043362.db2.gz UOZQHGDCYUOFQQ-WCQYABFASA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(Cl)c1 ZINC000827692472 624065362 /nfs/dbraw/zinc/06/53/62/624065362.db2.gz JGEMPJBJSLKLGU-IAQYHMDHSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(Cl)c1 ZINC000827692472 624065365 /nfs/dbraw/zinc/06/53/65/624065365.db2.gz JGEMPJBJSLKLGU-IAQYHMDHSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1Cl ZINC000827691852 624065412 /nfs/dbraw/zinc/06/54/12/624065412.db2.gz CONHPYRSHPSDGV-XHDPSFHLSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1Cl ZINC000827691852 624065416 /nfs/dbraw/zinc/06/54/16/624065416.db2.gz CONHPYRSHPSDGV-XHDPSFHLSA-N 0 1 283.799 2.804 20 10 CFCDMN CCOC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000918730947 624480611 /nfs/dbraw/zinc/48/06/11/624480611.db2.gz AVHJFMKSGJEBAY-UHFFFAOYSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[C@@H]([NH2+]C(COC)COC)c1cc(Cl)ccc1[O-] ZINC000834893359 625911922 /nfs/dbraw/zinc/91/19/22/625911922.db2.gz VGROIQWXJAARTJ-CYBMUJFWSA-N 0 1 287.787 2.748 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Cl)ccc1[O-] ZINC000834901248 625915161 /nfs/dbraw/zinc/91/51/61/625915161.db2.gz RENHCZWWVOCSGU-CABZTGNLSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cc(Cl)ccc1[O-] ZINC000834901250 625915675 /nfs/dbraw/zinc/91/56/75/625915675.db2.gz RENHCZWWVOCSGU-SKDRFNHKSA-N 0 1 284.787 2.611 20 10 CFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccn1 ZINC000073394634 625966588 /nfs/dbraw/zinc/96/65/88/625966588.db2.gz AZXICZAIDRYUCJ-UHFFFAOYSA-N 0 1 297.402 2.550 20 10 CFCDMN CC[C@@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000772225009 626015298 /nfs/dbraw/zinc/01/52/98/626015298.db2.gz RQOFIINXKLPKCR-ZDUSSCGKSA-N 0 1 289.734 2.775 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccnn1C ZINC000922317746 626269309 /nfs/dbraw/zinc/26/93/09/626269309.db2.gz CTENSZXEYXUUAO-LBPRGKRZSA-N 0 1 271.364 2.596 20 10 CFCDMN Cc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923250742 626459739 /nfs/dbraw/zinc/45/97/39/626459739.db2.gz TWXSXLRCNSSQLV-WFASDCNBSA-N 0 1 290.407 2.604 20 10 CFCDMN c1cc(CNCc2ccc3c(c2)CCO3)nc2c1CCC2 ZINC000838922796 626514097 /nfs/dbraw/zinc/51/40/97/626514097.db2.gz MNOOCBNNRIYPNT-UHFFFAOYSA-N 0 1 280.371 2.795 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC(OCC(F)F)C1 ZINC000839137379 626528205 /nfs/dbraw/zinc/52/82/05/626528205.db2.gz FUIFRHNHGPPVBM-UHFFFAOYSA-N 0 1 277.698 2.512 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCO)C2)c1O ZINC000761194332 626814628 /nfs/dbraw/zinc/81/46/28/626814628.db2.gz YUEWJABBOYPTCQ-LLVKDONJSA-N 0 1 299.798 2.649 20 10 CFCDMN COc1ccc(CNCc2ccc(F)cn2)cc1C ZINC000763518631 626993632 /nfs/dbraw/zinc/99/36/32/626993632.db2.gz MNVOPMLAFKHLOQ-UHFFFAOYSA-N 0 1 260.312 2.828 20 10 CFCDMN CC1CCC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768439100 627342708 /nfs/dbraw/zinc/34/27/08/627342708.db2.gz HNRWZBXNUFICHC-IJGSQOGDSA-N 0 1 291.391 2.829 20 10 CFCDMN CC1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768439100 627342714 /nfs/dbraw/zinc/34/27/14/627342714.db2.gz HNRWZBXNUFICHC-IJGSQOGDSA-N 0 1 291.391 2.829 20 10 CFCDMN Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)CCCC2 ZINC000768465350 627345159 /nfs/dbraw/zinc/34/51/59/627345159.db2.gz HIPWAJLAFHIEAF-IYBDPMFKSA-N 0 1 273.376 2.634 20 10 CFCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518241 627348325 /nfs/dbraw/zinc/34/83/25/627348325.db2.gz ABVWAFACFLEOKA-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN CCNC(=O)CN(C)Cc1cc(-c2ccccc2)ccc1O ZINC000768915405 627386314 /nfs/dbraw/zinc/38/63/14/627386314.db2.gz MCCDTBBHOHADCK-UHFFFAOYSA-N 0 1 298.386 2.627 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000769399529 627434839 /nfs/dbraw/zinc/43/48/39/627434839.db2.gz TZQLZOOBBVNBFA-CYBMUJFWSA-N 0 1 279.380 2.648 20 10 CFCDMN COc1cccc(O)c1CN1CCOC[C@H]1CC(C)C ZINC000769399529 627434844 /nfs/dbraw/zinc/43/48/44/627434844.db2.gz TZQLZOOBBVNBFA-CYBMUJFWSA-N 0 1 279.380 2.648 20 10 CFCDMN CCn1cc(CN(C)Cc2cc(Cl)ccc2O)cn1 ZINC000769426755 627437442 /nfs/dbraw/zinc/43/74/42/627437442.db2.gz HVGQZQQEJSRLNL-UHFFFAOYSA-N 0 1 279.771 2.894 20 10 CFCDMN C[C@H]1COCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769458720 627442219 /nfs/dbraw/zinc/44/22/19/627442219.db2.gz ZDVHBBRCMWYZAB-LBPRGKRZSA-N 0 1 266.360 2.503 20 10 CFCDMN CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cc(Cl)ccc1[O-] ZINC000775526743 628034097 /nfs/dbraw/zinc/03/40/97/628034097.db2.gz UCVJZEBXBBJQOP-LBPRGKRZSA-N 0 1 298.814 2.859 20 10 CFCDMN CN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000775663337 628051265 /nfs/dbraw/zinc/05/12/65/628051265.db2.gz LWGLOVBIDUPZKF-UHFFFAOYSA-N 0 1 253.651 2.882 20 10 CFCDMN C[C@@H]1[C@H](C)N(Cc2cccc(Cl)c2[O-])CC[N@@H+]1C ZINC000775988709 628092305 /nfs/dbraw/zinc/09/23/05/628092305.db2.gz ZAPZJCFJVABJEI-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1[C@H](C)[N@H+](Cc2cccc(Cl)c2[O-])CCN1C ZINC000775988709 628092309 /nfs/dbraw/zinc/09/23/09/628092309.db2.gz ZAPZJCFJVABJEI-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(Cl)c2[O-])CCN1C ZINC000775988709 628092311 /nfs/dbraw/zinc/09/23/11/628092311.db2.gz ZAPZJCFJVABJEI-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(CC)C1=O ZINC000852019458 634628768 /nfs/dbraw/zinc/62/87/68/634628768.db2.gz ZEVWWVMDSWJWDZ-OAHLLOKOSA-N 0 1 290.407 2.615 20 10 CFCDMN CC1(C)CN(Cc2cc(F)ccc2O)C(C)(C)CO1 ZINC000779019103 628345379 /nfs/dbraw/zinc/34/53/79/628345379.db2.gz DTBRJRSEJHSYQE-UHFFFAOYSA-N 0 1 267.344 2.921 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892310 628503098 /nfs/dbraw/zinc/50/30/98/628503098.db2.gz KGQUFLFSRMJUJZ-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892310 628503100 /nfs/dbraw/zinc/50/31/00/628503100.db2.gz KGQUFLFSRMJUJZ-MNOVXSKESA-N 0 1 269.772 2.638 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(CCO)CCCC2)c1[O-] ZINC000852118447 634662854 /nfs/dbraw/zinc/66/28/54/634662854.db2.gz IXHIUPWLNKXIHI-UHFFFAOYSA-N 0 1 295.354 2.519 20 10 CFCDMN Cc1oncc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000782544996 628644635 /nfs/dbraw/zinc/64/46/35/628644635.db2.gz YZISYUJTLBQFGB-NSHDSACASA-N 0 1 259.353 2.900 20 10 CFCDMN C[C@@H](NCc1csc(N(C)C)n1)c1ccccc1O ZINC000783515733 628715091 /nfs/dbraw/zinc/71/50/91/628715091.db2.gz AEZBAJFVYMCMBE-SNVBAGLBSA-N 0 1 277.393 2.766 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)[C@@H](C)O1 ZINC000783542643 628718673 /nfs/dbraw/zinc/71/86/73/628718673.db2.gz XGJIYMXSSGPBKK-FRRDWIJNSA-N 0 1 286.375 2.938 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)[C@@H](C)O1 ZINC000783542643 628718675 /nfs/dbraw/zinc/71/86/75/628718675.db2.gz XGJIYMXSSGPBKK-FRRDWIJNSA-N 0 1 286.375 2.938 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000783737972 628739370 /nfs/dbraw/zinc/73/93/70/628739370.db2.gz RCUBKPXKHTVQFP-YNEHKIRRSA-N 0 1 279.380 2.789 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c(O)c1 ZINC000783737514 628739607 /nfs/dbraw/zinc/73/96/07/628739607.db2.gz MDVQQKMRMTYURU-AVGNSLFASA-N 0 1 279.380 2.789 20 10 CFCDMN Cc1cccc(CNCc2ncnn2-c2ccccc2)c1O ZINC000787296674 629005612 /nfs/dbraw/zinc/00/56/12/629005612.db2.gz UOTJBJNEDLPYKV-UHFFFAOYSA-N 0 1 294.358 2.571 20 10 CFCDMN C[C@@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000788257834 629053526 /nfs/dbraw/zinc/05/35/26/629053526.db2.gz RHLMTSKTLNRTAU-SNVBAGLBSA-N 0 1 279.771 2.672 20 10 CFCDMN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000788627605 629087709 /nfs/dbraw/zinc/08/77/09/629087709.db2.gz YZCVLSZQUBUHHV-DGFSRKRXSA-N 0 1 299.798 2.626 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000788981495 629113114 /nfs/dbraw/zinc/11/31/14/629113114.db2.gz CUWSJDUYMLBOCX-GWCFXTLKSA-N 0 1 298.814 2.953 20 10 CFCDMN C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789557003 629167024 /nfs/dbraw/zinc/16/70/24/629167024.db2.gz DNFIHHIVCSRHGK-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790417275 629237564 /nfs/dbraw/zinc/23/75/64/629237564.db2.gz YOPKKARWUMBJEB-OAHLLOKOSA-N 0 1 293.407 2.956 20 10 CFCDMN COc1cccc(O)c1CN1CCO[C@H](C(C)(C)C)C1 ZINC000790932161 629272343 /nfs/dbraw/zinc/27/23/43/629272343.db2.gz VFPBXUVCVNKYSK-HNNXBMFYSA-N 0 1 279.380 2.648 20 10 CFCDMN C[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)C(C)(C)C1 ZINC000792165982 629403956 /nfs/dbraw/zinc/40/39/56/629403956.db2.gz NEOFASFBCNERSH-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@@H]1[C@H](C)N(Cc2c([O-])ccc(Cl)c2F)CC[N@@H+]1C ZINC000792173776 629406059 /nfs/dbraw/zinc/40/60/59/629406059.db2.gz CDLHPZMERNMUFA-ZJUUUORDSA-N 0 1 286.778 2.709 20 10 CFCDMN COc1cc(O)c(CN2CCC(F)(F)CC2)cc1OC ZINC000793362790 629531315 /nfs/dbraw/zinc/53/13/15/629531315.db2.gz VTDVELBVHSTYTE-UHFFFAOYSA-N 0 1 287.306 2.641 20 10 CFCDMN Cc1ccc(CN(CCO)Cc2ccc(N(C)C)cc2)o1 ZINC000793365340 629531644 /nfs/dbraw/zinc/53/16/44/629531644.db2.gz KNKQJOHORLLQCI-UHFFFAOYSA-N 0 1 288.391 2.649 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000794462951 629648237 /nfs/dbraw/zinc/64/82/37/629648237.db2.gz SYOVXVIDPQHWBV-RYUDHWBXSA-N 0 1 287.363 2.911 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2ccoc2)c(C)c(C)c1O ZINC000795350704 629765563 /nfs/dbraw/zinc/76/55/63/629765563.db2.gz HTCYNYKJHNDEQX-UHFFFAOYSA-N 0 1 281.333 2.711 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ncc[nH]1 ZINC000796773295 629964026 /nfs/dbraw/zinc/96/40/26/629964026.db2.gz YTHJPDIVWJCXOQ-GFCCVEGCSA-N 0 1 258.369 2.635 20 10 CFCDMN Cc1ccc(O)c([C@H](C)NCc2ncnn2C(C)(C)C)c1 ZINC000800500897 630393389 /nfs/dbraw/zinc/39/33/89/630393389.db2.gz VLNZBLWIMQDVMO-LBPRGKRZSA-N 0 1 288.395 2.898 20 10 CFCDMN CCCC[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000801595308 630461206 /nfs/dbraw/zinc/46/12/06/630461206.db2.gz LKKVXYOUZUEHLS-CQSZACIVSA-N 0 1 291.391 2.948 20 10 CFCDMN CCCC[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000801595308 630461207 /nfs/dbraw/zinc/46/12/07/630461207.db2.gz LKKVXYOUZUEHLS-CQSZACIVSA-N 0 1 291.391 2.948 20 10 CFCDMN COCC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000840836531 631236372 /nfs/dbraw/zinc/23/63/72/631236372.db2.gz ZXEHNGYCJGRNGW-WDEREUQCSA-N 0 1 255.333 2.855 20 10 CFCDMN CCc1ncc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000840887492 631252601 /nfs/dbraw/zinc/25/26/01/631252601.db2.gz XYKVIBVUAXBKLP-UHFFFAOYSA-N 0 1 288.370 2.534 20 10 CFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840891976 631254397 /nfs/dbraw/zinc/25/43/97/631254397.db2.gz WQRDJDXISKQWLZ-NXEZZACHSA-N 0 1 284.787 2.609 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(Cl)c1 ZINC000840899167 631255163 /nfs/dbraw/zinc/25/51/63/631255163.db2.gz LLHHXLIOQFGDNM-NSHDSACASA-N 0 1 291.782 2.724 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCOC2)c(Cl)c1 ZINC000840900103 631255778 /nfs/dbraw/zinc/25/57/78/631255778.db2.gz VKVUEIOQASIKNY-CQSZACIVSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)[S@](C)=O)c(Cl)c1 ZINC000840909774 631261058 /nfs/dbraw/zinc/26/10/58/631261058.db2.gz VXALCRSFUQRDBQ-YPMLDQLKSA-N 0 1 289.828 2.601 20 10 CFCDMN 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CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816556573 632483722 /nfs/dbraw/zinc/48/37/22/632483722.db2.gz NBNGZDAUWITVHK-OAHLLOKOSA-N 0 1 298.386 2.646 20 10 CFCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816558814 632483991 /nfs/dbraw/zinc/48/39/91/632483991.db2.gz LYBBGSLUYIMTBZ-CQSZACIVSA-N 0 1 299.292 2.948 20 10 CFCDMN C[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])[S@](C)=O ZINC000816563511 632485041 /nfs/dbraw/zinc/48/50/41/632485041.db2.gz AIFQWKRFGQTRAA-YUNKPMOVSA-N 0 1 291.416 2.792 20 10 CFCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816594542 632491340 /nfs/dbraw/zinc/49/13/40/632491340.db2.gz HUWGZXBLGXWBCR-HNNXBMFYSA-N 0 1 271.360 2.748 20 10 CFCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816594542 632491343 /nfs/dbraw/zinc/49/13/43/632491343.db2.gz HUWGZXBLGXWBCR-HNNXBMFYSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000816646989 632502644 /nfs/dbraw/zinc/50/26/44/632502644.db2.gz LZLNUDMNPGCOBT-HTQZYQBOSA-N 0 1 270.716 2.794 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H](O)CC2)ccc2ccccc21 ZINC000816667071 632508404 /nfs/dbraw/zinc/50/84/04/632508404.db2.gz BXPOICDDXCWTNY-OAHLLOKOSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](O)CC2)ccc2ccccc21 ZINC000816667071 632508407 /nfs/dbraw/zinc/50/84/07/632508407.db2.gz BXPOICDDXCWTNY-OAHLLOKOSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000816670957 632510027 /nfs/dbraw/zinc/51/00/27/632510027.db2.gz KKGFLPYWSMDILU-UHFFFAOYSA-N 0 1 288.174 2.921 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007340 632611761 /nfs/dbraw/zinc/61/17/61/632611761.db2.gz FZTPTJZVCWDPQA-UHFFFAOYSA-N 0 1 281.783 2.783 20 10 CFCDMN COc1ccc(N(C)CCN(C)CC2(F)CC2)cc1 ZINC000846051633 632624132 /nfs/dbraw/zinc/62/41/32/632624132.db2.gz JPBUBSGGERVVEC-UHFFFAOYSA-N 0 1 266.360 2.565 20 10 CFCDMN C[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846074026 632630268 /nfs/dbraw/zinc/63/02/68/632630268.db2.gz VUAYEEFJFJRPTH-JTQLQIEISA-N 0 1 269.772 2.950 20 10 CFCDMN C[C@H](CCO)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000846111049 632634893 /nfs/dbraw/zinc/63/48/93/632634893.db2.gz MHHVVLBOEKEURO-GFCCVEGCSA-N 0 1 259.349 2.748 20 10 CFCDMN C[C@H](CCO)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000846111049 632634896 /nfs/dbraw/zinc/63/48/96/632634896.db2.gz MHHVVLBOEKEURO-GFCCVEGCSA-N 0 1 259.349 2.748 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)CCF)c1ccc2ccccc2c1[O-] ZINC000846209309 632660739 /nfs/dbraw/zinc/66/07/39/632660739.db2.gz QFAJTHMPPJMGNS-WCQYABFASA-N 0 1 277.339 2.917 20 10 CFCDMN Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846224582 632668632 /nfs/dbraw/zinc/66/86/32/632668632.db2.gz RRGNOPQRYSZIEF-OAHLLOKOSA-N 0 1 276.380 2.500 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000846266394 632678171 /nfs/dbraw/zinc/67/81/71/632678171.db2.gz ZKEBIBATALILLR-MRXNPFEDSA-N 0 1 290.407 2.972 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])ccc1N(C)C ZINC000846273622 632679051 /nfs/dbraw/zinc/67/90/51/632679051.db2.gz ZRFXNPNNPZHFFS-INIZCTEOSA-N 0 1 276.380 2.500 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000846274939 632681537 /nfs/dbraw/zinc/68/15/37/632681537.db2.gz OOKSPCCJHCZEPW-HNNXBMFYSA-N 0 1 276.380 2.582 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1N(C)C ZINC000846282188 632683529 /nfs/dbraw/zinc/68/35/29/632683529.db2.gz WOKGAHFYWYQBLN-HIFRSBDPSA-N 0 1 290.407 2.604 20 10 CFCDMN CCn1nc(C)c(CN[C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000818346875 632834893 /nfs/dbraw/zinc/83/48/93/632834893.db2.gz VRFMDXTYAYSHQE-LBPRGKRZSA-N 0 1 288.395 2.780 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631590 632884526 /nfs/dbraw/zinc/88/45/26/632884526.db2.gz KDRXXAHJKKZZJC-IAQYHMDHSA-N 0 1 294.370 2.577 20 10 CFCDMN CC(C)(CC[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000818630487 632884757 /nfs/dbraw/zinc/88/47/57/632884757.db2.gz MNARQCVSMQAUSU-UHFFFAOYSA-N 0 1 289.734 2.775 20 10 CFCDMN COC1CC(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000850341985 633946757 /nfs/dbraw/zinc/94/67/57/633946757.db2.gz OXDHWHJVHIPHQB-UHFFFAOYSA-N 0 1 269.772 2.950 20 10 CFCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC000850484745 634013473 /nfs/dbraw/zinc/01/34/73/634013473.db2.gz PPJIFZUAOBJUNX-ZIBATOQPSA-N 0 1 299.798 2.748 20 10 CFCDMN COC[C@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000850485964 634014177 /nfs/dbraw/zinc/01/41/77/634014177.db2.gz PAJHAOPHQVNXLS-JQWIXIFHSA-N 0 1 287.787 2.748 20 10 CFCDMN COC[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000850485963 634014389 /nfs/dbraw/zinc/01/43/89/634014389.db2.gz PAJHAOPHQVNXLS-CMPLNLGQSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850512822 634025383 /nfs/dbraw/zinc/02/53/83/634025383.db2.gz AHVUKRMVYCZYDW-NXEZZACHSA-N 0 1 269.772 2.857 20 10 CFCDMN CN(Cc1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000109769469 634233211 /nfs/dbraw/zinc/23/32/11/634233211.db2.gz HZBXAVPNZPKYAI-UHFFFAOYSA-N 0 1 272.304 2.932 20 10 CFCDMN CCC(CC)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109769028 634233856 /nfs/dbraw/zinc/23/38/56/634233856.db2.gz NNXRYIDQMYHPEN-GFCCVEGCSA-N 0 1 278.396 2.517 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC3CC2(C)C3)c1[O-] ZINC000852786665 634836955 /nfs/dbraw/zinc/83/69/55/634836955.db2.gz ZGSKNQVYFNPRKR-UHFFFAOYSA-N 0 1 263.312 2.718 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC3CC2(C)C3)c1[O-] ZINC000852786665 634836960 /nfs/dbraw/zinc/83/69/60/634836960.db2.gz ZGSKNQVYFNPRKR-UHFFFAOYSA-N 0 1 263.312 2.718 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC3CC2(C)C3)c1O ZINC000852786665 634836964 /nfs/dbraw/zinc/83/69/64/634836964.db2.gz ZGSKNQVYFNPRKR-UHFFFAOYSA-N 0 1 263.312 2.718 20 10 CFCDMN CN1CCCc2cc(CN[C@H]3CCCc4c[nH]nc43)ccc21 ZINC000857850959 636032922 /nfs/dbraw/zinc/03/29/22/636032922.db2.gz CVKKKPBCZBPBTG-INIZCTEOSA-N 0 1 296.418 2.959 20 10 CFCDMN Cc1nn(C)c(Cl)c1CNCc1cc(C)ccc1O ZINC000858238152 636160584 /nfs/dbraw/zinc/16/05/84/636160584.db2.gz WHRXJZGZYFAZFG-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN CCN(C)c1ccc([C@@H](C)NCc2cnnn2CC)cc1 ZINC000858439329 636241495 /nfs/dbraw/zinc/24/14/95/636241495.db2.gz BDXWOWZVWZBYSP-CYBMUJFWSA-N 0 1 287.411 2.605 20 10 CFCDMN COc1cc(CN(C)Cc2c(C)noc2C)c(O)cc1C ZINC000159784236 650278147 /nfs/dbraw/zinc/27/81/47/650278147.db2.gz KYFYGFFWQDQQQK-UHFFFAOYSA-N 0 1 290.363 2.946 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859888562 636736982 /nfs/dbraw/zinc/73/69/82/636736982.db2.gz UTJJZRQRMOJBJK-INIZCTEOSA-N 0 1 298.390 2.585 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C ZINC000188311032 650322816 /nfs/dbraw/zinc/32/28/16/650322816.db2.gz ZNPXZZLDUDCYSQ-MFKMUULPSA-N 0 1 269.772 2.902 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862233403 637293760 /nfs/dbraw/zinc/29/37/60/637293760.db2.gz VZZINTNSCWHYGG-SNVBAGLBSA-N 0 1 254.324 2.873 20 10 CFCDMN COC[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244994 637297167 /nfs/dbraw/zinc/29/71/67/637297167.db2.gz WLNYYTSLDWOJPQ-GFCCVEGCSA-N 0 1 298.377 2.889 20 10 CFCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)OC ZINC000862372909 637342827 /nfs/dbraw/zinc/34/28/27/637342827.db2.gz AXNVSLPAZQODAR-NSHDSACASA-N 0 1 286.366 2.888 20 10 CFCDMN CN(Cc1cnc[nH]1)Cc1c(O)cccc1Br ZINC000862408512 637362588 /nfs/dbraw/zinc/36/25/88/637362588.db2.gz JBDXBBCYYUTPAK-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN Cc1cc(CNC(=O)[C@H](C)N(C)C)c(C)n1-c1ccccc1 ZINC000863165509 637577940 /nfs/dbraw/zinc/57/79/40/637577940.db2.gz CEBZPVOKGVKHCE-HNNXBMFYSA-N 0 1 299.418 2.660 20 10 CFCDMN Cc1cc(NCc2ccc(F)c(F)c2O)ccc1C(N)=O ZINC000864004374 637834224 /nfs/dbraw/zinc/83/42/24/637834224.db2.gz JXXVMKLPYRQIKT-UHFFFAOYSA-N 0 1 292.285 2.690 20 10 CFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000080357836 650665905 /nfs/dbraw/zinc/66/59/05/650665905.db2.gz XPDOSJYUOLTVNV-UHFFFAOYSA-N 0 1 299.298 2.780 20 10 CFCDMN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000872818179 641945775 /nfs/dbraw/zinc/94/57/75/641945775.db2.gz HITIFEGEFROFSP-IAQYHMDHSA-N 0 1 293.407 2.932 20 10 CFCDMN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000872818179 641945778 /nfs/dbraw/zinc/94/57/78/641945778.db2.gz HITIFEGEFROFSP-IAQYHMDHSA-N 0 1 293.407 2.932 20 10 CFCDMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000124319579 641961128 /nfs/dbraw/zinc/96/11/28/641961128.db2.gz DLYMGMYYOAUIFE-QMMMGPOBSA-N 0 1 270.716 2.938 20 10 CFCDMN CCOc1cccc(CN[C@@H](C)c2nccnc2C)c1O ZINC000873188777 642055457 /nfs/dbraw/zinc/05/54/57/642055457.db2.gz KZPMUZOXIVOMES-LBPRGKRZSA-N 0 1 287.363 2.740 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124550024 642220735 /nfs/dbraw/zinc/22/07/35/642220735.db2.gz GOXJOHQQOPCVPI-UHFFFAOYSA-N 0 1 255.745 2.656 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1ccc(C)cc1O ZINC000876611842 642945079 /nfs/dbraw/zinc/94/50/79/642945079.db2.gz SYVPVXGGXDNWLI-UHFFFAOYSA-N 0 1 260.337 2.937 20 10 CFCDMN COC(=O)c1csc(CN(C)Cc2ccccc2O)c1 ZINC000876616098 642945508 /nfs/dbraw/zinc/94/55/08/642945508.db2.gz SBARMYWDNVSUCD-UHFFFAOYSA-N 0 1 291.372 2.872 20 10 CFCDMN Cc1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)c(O)c1 ZINC000876746268 642990755 /nfs/dbraw/zinc/99/07/55/642990755.db2.gz JOPCZDNDTCUCJA-SFHVURJKSA-N 0 1 299.370 2.980 20 10 CFCDMN COc1cnc(F)c(CNCc2ccc(N(C)C)cc2)c1 ZINC000876905555 643059754 /nfs/dbraw/zinc/05/97/54/643059754.db2.gz IVVMGPZKFRPPCA-UHFFFAOYSA-N 0 1 289.354 2.585 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000877167105 643185699 /nfs/dbraw/zinc/18/56/99/643185699.db2.gz NCVBFAMRPFNEPS-GWCFXTLKSA-N 0 1 285.334 2.653 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)[C@H](C)O1 ZINC000877461640 643281391 /nfs/dbraw/zinc/28/13/91/643281391.db2.gz DLPZSWFROCACTO-BBBLOLIVSA-N 0 1 271.307 2.668 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)[C@H](C)O1 ZINC000877461640 643281393 /nfs/dbraw/zinc/28/13/93/643281393.db2.gz DLPZSWFROCACTO-BBBLOLIVSA-N 0 1 271.307 2.668 20 10 CFCDMN Oc1c(CN2C[C@@H](O)Cc3ccccc32)ccc(F)c1F ZINC000877484415 643300896 /nfs/dbraw/zinc/30/08/96/643300896.db2.gz ANQAMAVNCJBBIF-LBPRGKRZSA-N 0 1 291.297 2.594 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C2CC2)O1 ZINC000877488118 643303481 /nfs/dbraw/zinc/30/34/81/643303481.db2.gz XZNGYZVCQCQLBN-NOZJJQNGSA-N 0 1 283.318 2.670 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C2CC2)O1 ZINC000877488118 643303486 /nfs/dbraw/zinc/30/34/86/643303486.db2.gz XZNGYZVCQCQLBN-NOZJJQNGSA-N 0 1 283.318 2.670 20 10 CFCDMN Cc1nccn1CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877526381 643329740 /nfs/dbraw/zinc/32/97/40/643329740.db2.gz BELAGCFZUAXPEG-UHFFFAOYSA-N 0 1 295.333 2.697 20 10 CFCDMN [O-]c1c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc(F)c1F ZINC000877555364 643357286 /nfs/dbraw/zinc/35/72/86/643357286.db2.gz UGMRJAQCDVDFQA-HZPDHXFCSA-N 0 1 295.329 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc(F)c1F ZINC000877555364 643357294 /nfs/dbraw/zinc/35/72/94/643357294.db2.gz UGMRJAQCDVDFQA-HZPDHXFCSA-N 0 1 295.329 2.814 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1c(C)cccc1O ZINC000877570948 643368694 /nfs/dbraw/zinc/36/86/94/643368694.db2.gz VDRZVMBUFUJANI-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN COc1cc(CNCc2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000877672430 643445685 /nfs/dbraw/zinc/44/56/85/643445685.db2.gz FACWEEKWYOIZGI-UHFFFAOYSA-N 0 1 289.379 2.711 20 10 CFCDMN COc1ccccc1CN1Cc2cccc(O)c2C1 ZINC000877704227 643470572 /nfs/dbraw/zinc/47/05/72/643470572.db2.gz ZZXDZLAOCKBVMY-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN COC(=O)C1CC([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000877721996 643483243 /nfs/dbraw/zinc/48/32/43/643483243.db2.gz IFRPEWYAHZAIQY-UHFFFAOYSA-N 0 1 285.343 2.587 20 10 CFCDMN C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000877743546 643518835 /nfs/dbraw/zinc/51/88/35/643518835.db2.gz WQUUSTLDUYWTRA-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN COc1cnc(F)c(CN[C@H](C)c2ccccc2O)c1 ZINC000877755853 643535859 /nfs/dbraw/zinc/53/58/59/643535859.db2.gz OOCYJRLGDDMFRL-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN CN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877843529 643606005 /nfs/dbraw/zinc/60/60/05/643606005.db2.gz RTHNSJLBMKKSKW-AWEZNQCLSA-N 0 1 290.269 2.867 20 10 CFCDMN O=C1N[C@@H](c2ccc(F)c(F)c2O)Nc2cc(F)ccc21 ZINC000877847959 643607315 /nfs/dbraw/zinc/60/73/15/643607315.db2.gz GWUKILDSYMUPQT-ZDUSSCGKSA-N 0 1 294.232 2.664 20 10 CFCDMN Cc1n[nH]cc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000879189097 644170012 /nfs/dbraw/zinc/17/00/12/644170012.db2.gz ZJNKUTLVYYFCRS-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN CCN(C)c1ccc(CN(C)Cc2c[nH]nc2C)cc1 ZINC000879188965 644170455 /nfs/dbraw/zinc/17/04/55/644170455.db2.gz UTGKNBNBYGHOEV-UHFFFAOYSA-N 0 1 272.396 2.806 20 10 CFCDMN COc1ccc(N2CCN(CCCCF)CC2)c(OC)c1 ZINC000879462013 644280325 /nfs/dbraw/zinc/28/03/25/644280325.db2.gz KTGSSMYMTKROFB-UHFFFAOYSA-N 0 1 296.386 2.576 20 10 CFCDMN CCOC(=O)CN(Cc1cc(C)ccc1O)CC(C)C ZINC000091789939 650908331 /nfs/dbraw/zinc/90/83/31/650908331.db2.gz RHVNFQCAUOVNFI-UHFFFAOYSA-N 0 1 279.380 2.722 20 10 CFCDMN C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)c1ccccc1O ZINC000881440702 644975503 /nfs/dbraw/zinc/97/55/03/644975503.db2.gz MBRBXNJOYKGDPP-OHUAYANFSA-N 0 1 299.374 2.659 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883269844 645712772 /nfs/dbraw/zinc/71/27/72/645712772.db2.gz YDERQGAFXGQNOA-GFCCVEGCSA-N 0 1 295.766 2.579 20 10 CFCDMN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000883356372 645761939 /nfs/dbraw/zinc/76/19/39/645761939.db2.gz MDTHZDURTAGBKJ-CMPLNLGQSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H](N[C@H](C)C(F)F)c1cc(F)cc(F)c1O ZINC000883399699 645795309 /nfs/dbraw/zinc/79/53/09/645795309.db2.gz TYXPLWRDNFWITK-PHDIDXHHSA-N 0 1 251.223 2.975 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883399114 645795645 /nfs/dbraw/zinc/79/56/45/645795645.db2.gz DUDHUOFURABEIV-RQJHMYQMSA-N 0 1 260.240 2.605 20 10 CFCDMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(F)F ZINC000883399698 645795718 /nfs/dbraw/zinc/79/57/18/645795718.db2.gz TYXPLWRDNFWITK-NTSWFWBYSA-N 0 1 251.223 2.975 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000219899525 647048747 /nfs/dbraw/zinc/04/87/47/647048747.db2.gz NSFYYVAAQPPUCW-JOYOIKCWSA-N 0 1 255.745 2.703 20 10 CFCDMN CC(C)C[C@H]1C(=O)N[C@@H](c2cccc(Cl)c2O)N1C ZINC000887332969 647274992 /nfs/dbraw/zinc/27/49/92/647274992.db2.gz RGIUOWMQLDBVED-WCQYABFASA-N 0 1 282.771 2.521 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000302643339 647412098 /nfs/dbraw/zinc/41/20/98/647412098.db2.gz WRIQTKLUPXSWHI-MNOVXSKESA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1cccc([C@@H](O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000929975684 649158104 /nfs/dbraw/zinc/15/81/04/649158104.db2.gz IEZLSZBTYCOXGO-KRWDZBQOSA-N 0 1 271.360 2.866 20 10 CFCDMN Oc1cccc2c1CN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233126726 777804118 /nfs/dbraw/zinc/80/41/18/777804118.db2.gz NXVGDCWABDGBJF-UHFFFAOYSA-N 0 1 297.333 2.966 20 10 CFCDMN CC(C)N(CC[NH3+])Cc1c([O-])ccc(Cl)c1Cl ZINC001235948441 778623432 /nfs/dbraw/zinc/62/34/32/778623432.db2.gz WCYYHFBDTRWTOF-UHFFFAOYSA-N 0 1 277.195 2.868 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](CC)O1 ZINC000398783290 770607449 /nfs/dbraw/zinc/60/74/49/770607449.db2.gz MVWQXBVJKRBYSL-BETUJISGSA-N 0 1 267.344 2.921 20 10 CFCDMN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140468229 770707029 /nfs/dbraw/zinc/70/70/29/770707029.db2.gz ATXWHSGXCYFPOI-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140468229 770707033 /nfs/dbraw/zinc/70/70/33/770707033.db2.gz ATXWHSGXCYFPOI-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)CC[C@]1(C)O ZINC001140582495 770960285 /nfs/dbraw/zinc/96/02/85/770960285.db2.gz JMKLZTITJKSPJM-BMIGLBTASA-N 0 1 285.334 2.653 20 10 CFCDMN Cc1nc2c(s1)C[N@H+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140583677 770964729 /nfs/dbraw/zinc/96/47/29/770964729.db2.gz QPPAUGSSHIZYOI-UHFFFAOYSA-N 0 1 296.342 2.994 20 10 CFCDMN Cc1nc2c(s1)C[N@@H+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140583677 770964735 /nfs/dbraw/zinc/96/47/35/770964735.db2.gz QPPAUGSSHIZYOI-UHFFFAOYSA-N 0 1 296.342 2.994 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690788413 775415638 /nfs/dbraw/zinc/41/56/38/775415638.db2.gz DPYJHKFHTXUEIP-VXGBXAGGSA-N 0 1 267.756 2.514 20 10 CFCDMN COc1cc(O)c(CN2CCC[C@@](C)(F)C2)c(OC)c1 ZINC001141032247 775801014 /nfs/dbraw/zinc/80/10/14/775801014.db2.gz XEXKDLSXTCNUSE-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222254063 776050245 /nfs/dbraw/zinc/05/02/45/776050245.db2.gz VIKXEVGDSLNQED-OAHLLOKOSA-N 0 1 298.789 2.903 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222359910 776099683 /nfs/dbraw/zinc/09/96/83/776099683.db2.gz BJORJJZOMDVGJI-OAHLLOKOSA-N 0 1 298.789 2.903 20 10 CFCDMN C[C@H](CON)OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227493463 776214816 /nfs/dbraw/zinc/21/48/16/776214816.db2.gz ZLNGCGXVORTMDM-KSADHVCASA-N 0 1 288.307 2.860 20 10 CFCDMN CC(C)O[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCOC1 ZINC000722355173 776518372 /nfs/dbraw/zinc/51/83/72/776518372.db2.gz AZKQUCRQBCDSAX-OAHLLOKOSA-N 0 1 299.798 2.719 20 10 CFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001139686273 776621216 /nfs/dbraw/zinc/62/12/16/776621216.db2.gz RVDBJDKKAIAURY-LBPRGKRZSA-N 0 1 297.345 2.919 20 10 CFCDMN O=C1c2ccc(OC3CC3)cc2C(=O)c2ccc(O)cc21 ZINC001229191881 776749495 /nfs/dbraw/zinc/74/94/95/776749495.db2.gz FZSFRDBPAXCRHY-UHFFFAOYSA-N 0 1 280.279 2.709 20 10 CFCDMN O=C([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001231449919 777220859 /nfs/dbraw/zinc/22/08/59/777220859.db2.gz NSMGEGVQCWTPHR-PWSUYJOCSA-N 0 1 297.301 2.568 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1 ZINC001231446468 777222237 /nfs/dbraw/zinc/22/22/37/777222237.db2.gz JHKNTZXXLGAWBS-OAHLLOKOSA-N 0 1 298.342 2.823 20 10 CFCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@H]1CC1(C)C ZINC001231455729 777222553 /nfs/dbraw/zinc/22/25/53/777222553.db2.gz UUAZGDZYZJVSEO-GFCCVEGCSA-N 0 1 263.337 2.568 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)[C@H]1C ZINC001231452679 777223345 /nfs/dbraw/zinc/22/33/45/777223345.db2.gz RJFYPWQGLMCTMY-MNOVXSKESA-N 0 1 263.337 2.711 20 10 CFCDMN CC[N@@H+](Cc1cccnc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452189 777223802 /nfs/dbraw/zinc/22/38/02/777223802.db2.gz FZMPNVSVLZBQRR-UHFFFAOYSA-N 0 1 286.331 2.508 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)[C@H]1C ZINC001231452680 777223887 /nfs/dbraw/zinc/22/38/87/777223887.db2.gz RJFYPWQGLMCTMY-QWRGUYRKSA-N 0 1 263.337 2.711 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCC1(F)F ZINC001231560391 777258988 /nfs/dbraw/zinc/25/89/88/777258988.db2.gz IHFPUCITOXSGKD-VIFPVBQESA-N 0 1 285.290 2.568 20 10 CFCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231563327 777260928 /nfs/dbraw/zinc/26/09/28/777260928.db2.gz HRHRKYDUYUAVKC-WDEREUQCSA-N 0 1 263.337 2.711 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCC1(F)F ZINC001231561691 777261191 /nfs/dbraw/zinc/26/11/91/777261191.db2.gz YPQKLARWARWUMU-JTQLQIEISA-N 0 1 299.317 2.958 20 10 CFCDMN C[N@@H+](Cc1ccsc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565411 777261311 /nfs/dbraw/zinc/26/13/11/777261311.db2.gz VEGJNPGOGQSNLJ-UHFFFAOYSA-N 0 1 277.345 2.784 20 10 CFCDMN COc1cc2c(cn1)CCN(Cc1c(C)cc(C)cc1O)C2 ZINC001231848355 777350640 /nfs/dbraw/zinc/35/06/40/777350640.db2.gz GQOBQZRSBHHVHJ-UHFFFAOYSA-N 0 1 298.386 2.971 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867605 777356527 /nfs/dbraw/zinc/35/65/27/777356527.db2.gz NGBCTGAHCPEXIN-NHYWBVRUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867605 777356532 /nfs/dbraw/zinc/35/65/32/777356532.db2.gz NGBCTGAHCPEXIN-NHYWBVRUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc1Cl ZINC001231866598 777357417 /nfs/dbraw/zinc/35/74/17/777357417.db2.gz ATJYTXILRIMVMK-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)cc1Cl ZINC001231866598 777357424 /nfs/dbraw/zinc/35/74/24/777357424.db2.gz ATJYTXILRIMVMK-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc(O)c(CN2CC[C@]23CCOC3)cc1Cl ZINC001231872414 777361054 /nfs/dbraw/zinc/36/10/54/777361054.db2.gz ZBUUPMBCYKRJLZ-CQSZACIVSA-N 0 1 267.756 2.719 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1CO ZINC001231909413 777379112 /nfs/dbraw/zinc/37/91/12/777379112.db2.gz MSYPFZKRMBWFJK-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCC1=O ZINC001231910599 777379985 /nfs/dbraw/zinc/37/99/85/777379985.db2.gz ONRWCLMAUSVCHT-JTQLQIEISA-N 0 1 267.756 2.847 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CCC1=O ZINC001231910599 777379991 /nfs/dbraw/zinc/37/99/91/777379991.db2.gz ONRWCLMAUSVCHT-JTQLQIEISA-N 0 1 267.756 2.847 20 10 CFCDMN CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912708 777380318 /nfs/dbraw/zinc/38/03/18/777380318.db2.gz TUHIDGOATYGJRB-CYBMUJFWSA-N 0 1 267.756 2.989 20 10 CFCDMN CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912708 777380324 /nfs/dbraw/zinc/38/03/24/777380324.db2.gz TUHIDGOATYGJRB-CYBMUJFWSA-N 0 1 267.756 2.989 20 10 CFCDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910337 777381196 /nfs/dbraw/zinc/38/11/96/777381196.db2.gz LTBMNCOCMKYULX-ZYHUDNBSSA-N 0 1 297.782 2.819 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001231910958 777381810 /nfs/dbraw/zinc/38/18/10/777381810.db2.gz WXMPGZUMAUKKJN-KOLCDFICSA-N 0 1 289.709 2.512 20 10 CFCDMN COCc1cccc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC001232261325 777496335 /nfs/dbraw/zinc/49/63/35/777496335.db2.gz YTRDYTIWFIIBEK-UHFFFAOYSA-N 0 1 299.418 2.926 20 10 CFCDMN COc1cc([O-])c(C[N@H+](CCCO)C(C)C)cc1Cl ZINC001232265545 777497594 /nfs/dbraw/zinc/49/75/94/777497594.db2.gz XGQFGYBXBCEGGT-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](CCCO)C(C)C)cc1Cl ZINC001232265545 777497598 /nfs/dbraw/zinc/49/75/98/777497598.db2.gz XGQFGYBXBCEGGT-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc1Cl ZINC001232267838 777499305 /nfs/dbraw/zinc/49/93/05/777499305.db2.gz HZJNCBNUUHMDDK-HZMBPMFUSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)cc1Cl ZINC001232267838 777499308 /nfs/dbraw/zinc/49/93/08/777499308.db2.gz HZJNCBNUUHMDDK-HZMBPMFUSA-N 0 1 297.782 2.665 20 10 CFCDMN CC[N@H+]1CCCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232266389 777499842 /nfs/dbraw/zinc/49/98/42/777499842.db2.gz NDOJYXATAIEKMH-UHFFFAOYSA-N 0 1 298.814 2.582 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)cc1Cl ZINC001232265851 777500192 /nfs/dbraw/zinc/50/01/92/777500192.db2.gz GHZSANUPJSSWFP-GHMZBOCLSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc1Cl ZINC001232265851 777500199 /nfs/dbraw/zinc/50/01/99/777500199.db2.gz GHZSANUPJSSWFP-GHMZBOCLSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC001232270873 777501572 /nfs/dbraw/zinc/50/15/72/777501572.db2.gz LNFXXNJLWAXGFP-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC001232270873 777501577 /nfs/dbraw/zinc/50/15/77/777501577.db2.gz LNFXXNJLWAXGFP-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc(O)c(CN2CCC(C(C)=O)CC2)cc1Cl ZINC001232269774 777501678 /nfs/dbraw/zinc/50/16/78/777501678.db2.gz KLOBHOQPGCGQNR-UHFFFAOYSA-N 0 1 297.782 2.855 20 10 CFCDMN C[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233074163 777788196 /nfs/dbraw/zinc/78/81/96/777788196.db2.gz IXFYKSIZACTJET-OAHLLOKOSA-N 0 1 285.334 2.655 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H](COCC3CC3)C2)ccc(F)c1F ZINC001233078272 777789036 /nfs/dbraw/zinc/78/90/36/777789036.db2.gz OELUJGAWOXDUGK-LBPRGKRZSA-N 0 1 297.345 2.919 20 10 CFCDMN CCN(CC)CC[N@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC001233077319 777789179 /nfs/dbraw/zinc/78/91/79/777789179.db2.gz IQHUCUOVOSQGQQ-UHFFFAOYSA-N 0 1 286.366 2.834 20 10 CFCDMN CCN(CC)CC[N@@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC001233077319 777789187 /nfs/dbraw/zinc/78/91/87/777789187.db2.gz IQHUCUOVOSQGQQ-UHFFFAOYSA-N 0 1 286.366 2.834 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H](COCC3CC3)C2)ccc(F)c1F ZINC001233078271 777790289 /nfs/dbraw/zinc/79/02/89/777790289.db2.gz OELUJGAWOXDUGK-GFCCVEGCSA-N 0 1 297.345 2.919 20 10 CFCDMN CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC001233286314 777866548 /nfs/dbraw/zinc/86/65/48/777866548.db2.gz ODPUHTYVIMBNKR-AWEZNQCLSA-N 0 1 290.407 2.530 20 10 CFCDMN CC(C)(C)c1ccc(O)c(CN2CCCC[C@H]2C(N)=O)c1 ZINC001233286314 777866553 /nfs/dbraw/zinc/86/65/53/777866553.db2.gz ODPUHTYVIMBNKR-AWEZNQCLSA-N 0 1 290.407 2.530 20 10 CFCDMN COc1cc(Cl)cc(CN2CCC[C@H](C(C)=O)C2)c1O ZINC001233290266 777868373 /nfs/dbraw/zinc/86/83/73/777868373.db2.gz SVBHCOKBIOERCX-NSHDSACASA-N 0 1 297.782 2.855 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(O)C2)c1O ZINC001233287905 777868871 /nfs/dbraw/zinc/86/88/71/777868871.db2.gz MSIOIYHXCGEPEO-HNNXBMFYSA-N 0 1 299.798 2.791 20 10 CFCDMN CCCN(CCC[NH+](C)C)Cc1c([O-])ccc(F)c1F ZINC001233336404 777896023 /nfs/dbraw/zinc/89/60/23/777896023.db2.gz KLRCECBKXMMUHK-UHFFFAOYSA-N 0 1 286.366 2.834 20 10 CFCDMN CC[N@@H+]1CCN(Cc2c([O-])ccc(F)c2F)C(C)(C)C1 ZINC001233336246 777896786 /nfs/dbraw/zinc/89/67/86/777896786.db2.gz FFYQSFRBYDLTCV-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(F)c2F)C(C)(C)C1 ZINC001233336246 777896796 /nfs/dbraw/zinc/89/67/96/777896796.db2.gz FFYQSFRBYDLTCV-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455810 777959641 /nfs/dbraw/zinc/95/96/41/777959641.db2.gz ZQDCYAASKJDJQE-SNVBAGLBSA-N 0 1 287.281 2.822 20 10 CFCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455810 777959646 /nfs/dbraw/zinc/95/96/46/777959646.db2.gz 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/nfs/dbraw/zinc/56/62/50/778566250.db2.gz DKOJKZLKFIOJFM-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN CCN(Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001235973704 778634212 /nfs/dbraw/zinc/63/42/12/778634212.db2.gz GQXQVKPRZSKVKG-JTQLQIEISA-N 0 1 289.206 2.883 20 10 CFCDMN CCN(Cc1c([O-])ccc(F)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236008956 778652648 /nfs/dbraw/zinc/65/26/48/778652648.db2.gz KCFAABJZKZPTAP-JTQLQIEISA-N 0 1 286.778 2.759 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236223943 778744573 /nfs/dbraw/zinc/74/45/73/778744573.db2.gz QNXSWSMMQYLWIP-LBPRGKRZSA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001231912475 778878284 /nfs/dbraw/zinc/87/82/84/778878284.db2.gz ICQQEJFHAZIIJK-RTCCRHLQSA-N 0 1 255.720 2.693 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H](C)[NH2+]1 ZINC001236577896 778882290 /nfs/dbraw/zinc/88/22/90/778882290.db2.gz BRNWOCPLQUFYHC-RKDXNWHRSA-N 0 1 289.206 2.881 20 10 CFCDMN COc1cc(O)c(CN2CCC[C@H](C(C)=O)C2)cc1Cl ZINC001232269727 778915635 /nfs/dbraw/zinc/91/56/35/778915635.db2.gz IYFGCJFKNANBCJ-NSHDSACASA-N 0 1 297.782 2.855 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CCOC[C@H](C)C2)cc1Cl ZINC001232266633 778915664 /nfs/dbraw/zinc/91/56/64/778915664.db2.gz QOQKUJCYMWCZEI-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(O)c(CN2CCOC[C@H](C)C2)cc1Cl ZINC001232266633 778915671 /nfs/dbraw/zinc/91/56/71/778915671.db2.gz QOQKUJCYMWCZEI-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)cc1Cl ZINC001232266633 778915678 /nfs/dbraw/zinc/91/56/78/778915678.db2.gz QOQKUJCYMWCZEI-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCOC[C@H](C)C2)cc1Cl ZINC001232266633 778915682 /nfs/dbraw/zinc/91/56/82/778915682.db2.gz QOQKUJCYMWCZEI-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN CCc1ccc(CN(C)[C@H](C(=O)OC)C(C)C)c(O)c1 ZINC001236793409 778939317 /nfs/dbraw/zinc/93/93/17/778939317.db2.gz WEOJHLYIBYITIR-HNNXBMFYSA-N 0 1 279.380 2.584 20 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/nfs/dbraw/zinc/95/84/68/778958468.db2.gz HVTWPNJKCBWNPJ-UHFFFAOYSA-N 0 1 257.333 2.766 20 10 CFCDMN CCN(C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236929729 778982737 /nfs/dbraw/zinc/98/27/37/778982737.db2.gz SQNRXUDBULGITC-UHFFFAOYSA-N 0 1 268.788 2.628 20 10 CFCDMN CCOc1ccc(CN2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001237044819 778997376 /nfs/dbraw/zinc/99/73/76/778997376.db2.gz UYKXNHVHEFJHDR-GFCCVEGCSA-N 0 1 297.395 2.820 20 10 CFCDMN CC(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001237044110 778997389 /nfs/dbraw/zinc/99/73/89/778997389.db2.gz AQBJOAXBCVCPAG-QGZVFWFLSA-N 0 1 291.391 2.507 20 10 CFCDMN CC(C)c1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)c1 ZINC001237048128 778998524 /nfs/dbraw/zinc/99/85/24/778998524.db2.gz DFAMCDKWVHOVOD-SRCQZFHVSA-N 0 1 275.392 2.982 20 10 CFCDMN Oc1c(CN2Cc3ccncc3C2)ccc(F)c1F ZINC001233077350 779017425 /nfs/dbraw/zinc/01/74/25/779017425.db2.gz KLSWRHAZLIDTTE-UHFFFAOYSA-N 0 1 262.259 2.581 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237120072 779017691 /nfs/dbraw/zinc/01/76/91/779017691.db2.gz ILSLWYOEWWNAKK-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237120072 779017694 /nfs/dbraw/zinc/01/76/94/779017694.db2.gz ILSLWYOEWWNAKK-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237125587 779019718 /nfs/dbraw/zinc/01/97/18/779019718.db2.gz DXJUDROHYOLZRP-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237125587 779019724 /nfs/dbraw/zinc/01/97/24/779019724.db2.gz DXJUDROHYOLZRP-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237125587 779019731 /nfs/dbraw/zinc/01/97/31/779019731.db2.gz DXJUDROHYOLZRP-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237127627 779020856 /nfs/dbraw/zinc/02/08/56/779020856.db2.gz DNXCPFMLOMXMQA-TVQRCGJNSA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237127627 779020861 /nfs/dbraw/zinc/02/08/61/779020861.db2.gz DNXCPFMLOMXMQA-TVQRCGJNSA-N 0 1 285.746 2.796 20 10 CFCDMN CC[N@@H+]1CCN(Cc2c([O-])ccc(F)c2Cl)[C@H](C)C1 ZINC001237128504 779021104 /nfs/dbraw/zinc/02/11/04/779021104.db2.gz QFUCMLWFFAQMEG-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(F)c2Cl)[C@H](C)C1 ZINC001237128504 779021112 /nfs/dbraw/zinc/02/11/12/779021112.db2.gz QFUCMLWFFAQMEG-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[NH+]1C[C@H]2CN(Cc3c([O-])ccc(F)c3Cl)C[C@@H]2C1 ZINC001237128531 779021699 /nfs/dbraw/zinc/02/16/99/779021699.db2.gz RCPSPAHCKZMPEH-QWRGUYRKSA-N 0 1 298.789 2.568 20 10 CFCDMN [O-]c1cccc(F)c1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155112 779027873 /nfs/dbraw/zinc/02/78/73/779027873.db2.gz ODGZGAPLVSDTRA-ZDUSSCGKSA-N 0 1 278.371 2.638 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001237618000 779145875 /nfs/dbraw/zinc/14/58/75/779145875.db2.gz WOXFTTQHVHRVQJ-VXGBXAGGSA-N 0 1 271.719 2.548 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])CC1(C)COC1 ZINC001237800101 779182251 /nfs/dbraw/zinc/18/22/51/779182251.db2.gz XEBGGXDFWKOLGL-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001237803051 779182826 /nfs/dbraw/zinc/18/28/26/779182826.db2.gz QCHXUVFEMAGLSZ-ZDUSSCGKSA-N 0 1 271.719 2.550 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001237803051 779182832 /nfs/dbraw/zinc/18/28/32/779182832.db2.gz QCHXUVFEMAGLSZ-ZDUSSCGKSA-N 0 1 271.719 2.550 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001237807513 779184218 /nfs/dbraw/zinc/18/42/18/779184218.db2.gz KYFAAEPVMKWUOH-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN CC[N@@H+]1C[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]2C1 ZINC001237940978 779211283 /nfs/dbraw/zinc/21/12/83/779211283.db2.gz FIDUKJIMSIPWGL-TXEJJXNPSA-N 0 1 298.789 2.568 20 10 CFCDMN CC[N@H+]1C[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]2C1 ZINC001237940978 779211287 /nfs/dbraw/zinc/21/12/87/779211287.db2.gz FIDUKJIMSIPWGL-TXEJJXNPSA-N 0 1 298.789 2.568 20 10 CFCDMN CC[N@@H+]1C[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]2C1 ZINC001237940978 779211291 /nfs/dbraw/zinc/21/12/91/779211291.db2.gz FIDUKJIMSIPWGL-TXEJJXNPSA-N 0 1 298.789 2.568 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H]1CO ZINC001237934982 779212078 /nfs/dbraw/zinc/21/20/78/779212078.db2.gz ONBDITDSDAVCAL-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001234654775 779260482 /nfs/dbraw/zinc/26/04/82/779260482.db2.gz JKUYWSYWIMICGI-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN C[C@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235676003 779368476 /nfs/dbraw/zinc/36/84/76/779368476.db2.gz NNKPUMPUJHWHDT-LBPRGKRZSA-N 0 1 263.381 2.910 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798217 779718151 /nfs/dbraw/zinc/71/81/51/779718151.db2.gz AUUSVJCHISJRBK-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237936613 779725006 /nfs/dbraw/zinc/72/50/06/779725006.db2.gz KRFWSPKKASXCNV-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN CN(Cc1cc(Br)cc(F)c1O)CC(F)F ZINC000715701688 780311483 /nfs/dbraw/zinc/31/14/83/780311483.db2.gz GZRGSDRKUVPPCH-UHFFFAOYSA-N 0 1 298.102 2.991 20 10 CFCDMN CC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715702221 780311669 /nfs/dbraw/zinc/31/16/69/780311669.db2.gz JZUSJOIQXYYTOH-UHFFFAOYSA-N 0 1 262.122 2.746 20 10 CFCDMN CCCN1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000700781732 780719378 /nfs/dbraw/zinc/71/93/78/780719378.db2.gz JVWFIUWKAVLOPO-UHFFFAOYSA-N 0 1 284.350 2.634 20 10 CFCDMN CC(C)[NH+](CCNCc1ccc(F)c(F)c1[O-])C(C)C ZINC000700766396 780722866 /nfs/dbraw/zinc/72/28/66/780722866.db2.gz XAQJXWVGCDLKRQ-UHFFFAOYSA-N 0 1 286.366 2.879 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001137833176 780931181 /nfs/dbraw/zinc/93/11/81/780931181.db2.gz WDZNKRZNMUKAQS-UHFFFAOYSA-N 0 1 273.307 2.795 20 10 CFCDMN C[C@@H](F)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000702647497 780942099 /nfs/dbraw/zinc/94/20/99/780942099.db2.gz VRZQGCKYVUMHRW-MRVPVSSYSA-N 0 1 276.149 2.992 20 10 CFCDMN CN1CCC=C(c2cc(N3CCc4ccccc43)ncn2)C1 ZINC001241567711 780984646 /nfs/dbraw/zinc/98/46/46/780984646.db2.gz GBXLIMCHUNCISJ-UHFFFAOYSA-N 0 1 292.386 2.890 20 10 CFCDMN CC[C@]1(C)COCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447498 781014569 /nfs/dbraw/zinc/01/45/69/781014569.db2.gz LEUFFQGKLAOJKR-CQSZACIVSA-N 0 1 271.307 2.671 20 10 CFCDMN CC[C@]1(C)COCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447498 781014576 /nfs/dbraw/zinc/01/45/76/781014576.db2.gz LEUFFQGKLAOJKR-CQSZACIVSA-N 0 1 271.307 2.671 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000703458476 781014914 /nfs/dbraw/zinc/01/49/14/781014914.db2.gz JETILKJOAFZPEC-STQMWFEESA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000703458476 781014922 /nfs/dbraw/zinc/01/49/22/781014922.db2.gz JETILKJOAFZPEC-STQMWFEESA-N 0 1 283.318 2.814 20 10 CFCDMN CCN(Cc1ccc(F)c(F)c1O)CC(F)F ZINC000703439977 781016163 /nfs/dbraw/zinc/01/61/63/781016163.db2.gz VXPMAPGQNMBOJO-UHFFFAOYSA-N 0 1 251.223 2.757 20 10 CFCDMN CCN1CCC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703501478 781016850 /nfs/dbraw/zinc/01/68/50/781016850.db2.gz JNVPNDNWLNLNMV-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1C ZINC000703532162 781026147 /nfs/dbraw/zinc/02/61/47/781026147.db2.gz SWOFZNVIUDDPSP-CABZTGNLSA-N 0 1 271.307 2.527 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383257 781271323 /nfs/dbraw/zinc/27/13/23/781271323.db2.gz KWWGJADZMYZFRG-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708400771 781273435 /nfs/dbraw/zinc/27/34/35/781273435.db2.gz PGIDBGKTBQTWQL-CQSZACIVSA-N 0 1 285.334 2.917 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000708415263 781273954 /nfs/dbraw/zinc/27/39/54/781273954.db2.gz VZGWTKIDJISNQX-AOOOYVTPSA-N 0 1 253.292 2.902 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433482 781274557 /nfs/dbraw/zinc/27/45/57/781274557.db2.gz KFPFPOHZDCJRNJ-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN CC(C)[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708432844 781275321 /nfs/dbraw/zinc/27/53/21/781275321.db2.gz DOSOCOHQEOVUHX-CYBMUJFWSA-N 0 1 271.307 2.527 20 10 CFCDMN CCOc1cccc(CN2CCOCC23CCCC3)c1O ZINC000093840609 347686075 /nfs/dbraw/zinc/68/60/75/347686075.db2.gz XXMDYVLDPNOPGC-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294675417 199129706 /nfs/dbraw/zinc/12/97/06/199129706.db2.gz AVPWHPUPZRNRTR-SNVBAGLBSA-N 0 1 278.179 2.902 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(F)c(F)c1[O-] ZINC000276928988 296145771 /nfs/dbraw/zinc/14/57/71/296145771.db2.gz NZFJDAOUSWOKIJ-VHSXEESVSA-N 0 1 272.339 2.661 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000037911613 372735335 /nfs/dbraw/zinc/73/53/35/372735335.db2.gz PPUJDTVUSPPUEH-VIFPVBQESA-N 0 1 251.301 2.718 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000037911613 372735337 /nfs/dbraw/zinc/73/53/37/372735337.db2.gz PPUJDTVUSPPUEH-VIFPVBQESA-N 0 1 251.301 2.718 20 10 CFCDMN C[C@H](F)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000378747094 781962619 /nfs/dbraw/zinc/96/26/19/781962619.db2.gz MIDZPWBVJDHGOB-QMMMGPOBSA-N 0 1 276.149 2.992 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000093646166 375284981 /nfs/dbraw/zinc/28/49/81/375284981.db2.gz YTDKBTDTZUVCDG-UHFFFAOYSA-N 0 1 292.770 2.543 20 10 CFCDMN CCOCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113324361 376010686 /nfs/dbraw/zinc/01/06/86/376010686.db2.gz RRQAPBLAMVRUJM-UHFFFAOYSA-N 0 1 257.761 2.952 20 10 CFCDMN COc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000133476314 377933012 /nfs/dbraw/zinc/93/30/12/377933012.db2.gz WRTSGAQEHRTDST-UONOGXRCSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000134145065 377986546 /nfs/dbraw/zinc/98/65/46/377986546.db2.gz YTZGNONFNXGMCO-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000134145065 377986552 /nfs/dbraw/zinc/98/65/52/377986552.db2.gz YTZGNONFNXGMCO-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]([NH2+]C1CC1)c1cc(Br)ccc1[O-] ZINC000134901028 378060700 /nfs/dbraw/zinc/06/07/00/378060700.db2.gz NGRCICUGMMWTFZ-ZETCQYMHSA-N 0 1 256.143 2.968 20 10 CFCDMN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134922816 378064028 /nfs/dbraw/zinc/06/40/28/378064028.db2.gz BAWOBVUHYDXSAI-IUCAKERBSA-N 0 1 288.185 2.576 20 10 CFCDMN CCOC(=O)[C@H]1CCCCN1Cc1cccc(C)c1O ZINC000179576479 380560540 /nfs/dbraw/zinc/56/05/40/380560540.db2.gz GOXVRDPDDLZOLC-CQSZACIVSA-N 0 1 277.364 2.618 20 10 CFCDMN Oc1ccccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000179583869 380561413 /nfs/dbraw/zinc/56/14/13/380561413.db2.gz OTIPIWQSAFCXGN-OAHLLOKOSA-N 0 1 259.305 2.559 20 10 CFCDMN CCC[C@@](C)(NCc1cccc(Cl)c1O)C(=O)OC ZINC000180035811 380613220 /nfs/dbraw/zinc/61/32/20/380613220.db2.gz WIIYGSZNGNSCTE-CQSZACIVSA-N 0 1 285.771 2.867 20 10 CFCDMN COc1ccc(O)c(CN2CCOC3(CCCCC3)C2)c1 ZINC000180457976 380662603 /nfs/dbraw/zinc/66/26/03/380662603.db2.gz LQFDOALUWWHVAU-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN Cc1cnn(-c2ccncc2NCc2ccccc2O)c1 ZINC000180766739 380698434 /nfs/dbraw/zinc/69/84/34/380698434.db2.gz KNNGUSOKNWAXOK-UHFFFAOYSA-N 0 1 280.331 2.893 20 10 CFCDMN CC1(C)COCCN1Cc1cc(Cl)c(F)cc1O ZINC000295403159 380830638 /nfs/dbraw/zinc/83/06/38/380830638.db2.gz QYNLAMSKSIHGKF-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000368489263 381041777 /nfs/dbraw/zinc/04/17/77/381041777.db2.gz ZBIADOAIOAWHLX-AWEZNQCLSA-N 0 1 267.756 2.801 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000368489263 381041781 /nfs/dbraw/zinc/04/17/81/381041781.db2.gz ZBIADOAIOAWHLX-AWEZNQCLSA-N 0 1 267.756 2.801 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)n[nH]1 ZINC000183621624 381295429 /nfs/dbraw/zinc/29/54/29/381295429.db2.gz ANEPZKSBWRDJBH-ZYHUDNBSSA-N 0 1 259.353 2.706 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H](CCO)c2ccco2)c1 ZINC000184512485 381426769 /nfs/dbraw/zinc/42/67/69/381426769.db2.gz UYJRNXLISQZGJA-AWEZNQCLSA-N 0 1 291.347 2.597 20 10 CFCDMN CCCC[N@@H+](CCc1cncn1C)Cc1ccccc1O ZINC000297665872 381569085 /nfs/dbraw/zinc/56/90/85/381569085.db2.gz OEEAGHOKNFVCRY-UHFFFAOYSA-N 0 1 287.407 2.971 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185386641 381618688 /nfs/dbraw/zinc/61/86/88/381618688.db2.gz WGGYTOWSABDYKG-MWLCHTKSSA-N 0 1 255.745 2.875 20 10 CFCDMN CCOC(=O)[C@@H]1CCCCCN1Cc1ccccc1O ZINC000371465879 381635049 /nfs/dbraw/zinc/63/50/49/381635049.db2.gz IWTMRIKMGQOBCR-AWEZNQCLSA-N 0 1 277.364 2.700 20 10 CFCDMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000185579594 381671300 /nfs/dbraw/zinc/67/13/00/381671300.db2.gz IXKCBEDRPXLRKJ-CQSZACIVSA-N 0 1 291.391 2.946 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000359908421 381671957 /nfs/dbraw/zinc/67/19/57/381671957.db2.gz XXQOIXMZXJGVJY-GFCCVEGCSA-N 0 1 287.338 2.701 20 10 CFCDMN C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc2ccccc2c1[O-] ZINC000186505325 381929643 /nfs/dbraw/zinc/92/96/43/381929643.db2.gz WEQUVSYAFJTZCZ-LBPRGKRZSA-N 0 1 298.386 2.722 20 10 CFCDMN CN1CCc2cc(CNCc3cc(O)cc(F)c3)ccc21 ZINC000373519319 382016721 /nfs/dbraw/zinc/01/67/21/382016721.db2.gz AUTKPCRXULAOOB-UHFFFAOYSA-N 0 1 286.350 2.813 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000375235655 382073043 /nfs/dbraw/zinc/07/30/43/382073043.db2.gz BEVPYIGQSNYFJJ-ZDUSSCGKSA-N 0 1 291.391 2.792 20 10 CFCDMN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000375243349 382073485 /nfs/dbraw/zinc/07/34/85/382073485.db2.gz XIMYGELXAAEYRQ-QGZVFWFLSA-N 0 1 287.334 2.971 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000377234823 382237332 /nfs/dbraw/zinc/23/73/32/382237332.db2.gz AYBDPJLBFWBIRF-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000187798969 382271335 /nfs/dbraw/zinc/27/13/35/382271335.db2.gz ZAADEQUCFNUQDC-WPRPVWTQSA-N 0 1 295.333 2.984 20 10 CFCDMN CCOc1ccc(O)c(CN2CCC[C@@H]2CF)c1 ZINC000294016640 382379421 /nfs/dbraw/zinc/37/94/21/382379421.db2.gz NEAWNUKLXZQZLD-GFCCVEGCSA-N 0 1 253.317 2.725 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378499551 382474119 /nfs/dbraw/zinc/47/41/19/382474119.db2.gz UIRRXSDFLAKPSO-NILFDRSVSA-N 0 1 279.355 2.777 20 10 CFCDMN COc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1C ZINC000294903988 382542856 /nfs/dbraw/zinc/54/28/56/382542856.db2.gz XKWFXUXSLJPIFF-UHFFFAOYSA-N 0 1 274.368 2.535 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294933086 382544941 /nfs/dbraw/zinc/54/49/41/382544941.db2.gz OWOTUBLLDMZFNI-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000190304846 382661244 /nfs/dbraw/zinc/66/12/44/382661244.db2.gz CEFJKDHHJRAZTF-SMDDNHRTSA-N 0 1 283.799 2.995 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190338994 382662914 /nfs/dbraw/zinc/66/29/14/382662914.db2.gz ZIYDLSAQSPWKBK-YRGRVCCFSA-N 0 1 267.756 2.703 20 10 CFCDMN CCC[N@@H+](Cc1cnn(C)c1C)Cc1ccccc1O ZINC000269039539 384717050 /nfs/dbraw/zinc/71/70/50/384717050.db2.gz UVWNTJIGJPQFOH-UHFFFAOYSA-N 0 1 273.380 2.846 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000282389891 385299720 /nfs/dbraw/zinc/29/97/20/385299720.db2.gz RCEWIMDGCSUYBB-ZYHUDNBSSA-N 0 1 253.317 2.531 20 10 CFCDMN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000271751029 385390322 /nfs/dbraw/zinc/39/03/22/385390322.db2.gz VIGGXKVFJCYMGW-DGCLKSJQSA-N 0 1 289.297 2.588 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271398791 385382127 /nfs/dbraw/zinc/38/21/27/385382127.db2.gz HSYHSOZLEFUXAG-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272331313 385512501 /nfs/dbraw/zinc/51/25/01/385512501.db2.gz WNBPFGUNIPOXDJ-LBPRGKRZSA-N 0 1 295.354 2.695 20 10 CFCDMN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273487876 385684282 /nfs/dbraw/zinc/68/42/82/385684282.db2.gz NNVKFPYEYHETQH-VIFPVBQESA-N 0 1 265.744 2.928 20 10 CFCDMN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273497010 385686244 /nfs/dbraw/zinc/68/62/44/385686244.db2.gz PHTHMKVFIPCXBL-GHMZBOCLSA-N 0 1 279.771 2.981 20 10 CFCDMN CCc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000274592676 385829028 /nfs/dbraw/zinc/82/90/28/385829028.db2.gz KEJMQZZMQAYMTP-UHFFFAOYSA-N 0 1 299.422 2.598 20 10 CFCDMN CC[C@@H](c1ccccc1O)N1CCc2c(ncn2C)C1 ZINC000368880355 267210625 /nfs/dbraw/zinc/21/06/25/267210625.db2.gz QYTPEEUJZKDDRX-AWEZNQCLSA-N 0 1 271.364 2.635 20 10 CFCDMN CC(C)n1nccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000279979623 520106780 /nfs/dbraw/zinc/10/67/80/520106780.db2.gz QKLJXGYGQAVQGE-UHFFFAOYSA-N 0 1 290.386 2.959 20 10 CFCDMN CCOC[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079497940 520132777 /nfs/dbraw/zinc/13/27/77/520132777.db2.gz PXWMZURLCZJLOP-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079497940 520132784 /nfs/dbraw/zinc/13/27/84/520132784.db2.gz PXWMZURLCZJLOP-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN CCCOc1ccc(CNCc2snnc2C)c(O)c1 ZINC000291634462 520368842 /nfs/dbraw/zinc/36/88/42/520368842.db2.gz AVJWYCAQWFYELA-UHFFFAOYSA-N 0 1 293.392 2.631 20 10 CFCDMN CC[N@@H+](Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000289804329 521422243 /nfs/dbraw/zinc/42/22/43/521422243.db2.gz MYXZPYQOZSPLKX-UHFFFAOYSA-N 0 1 260.312 2.948 20 10 CFCDMN CCOC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000159300428 521626403 /nfs/dbraw/zinc/62/64/03/521626403.db2.gz SIKBPLRTMJTTCO-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000191426783 521881748 /nfs/dbraw/zinc/88/17/48/521881748.db2.gz PTUDFGXGQULWTQ-INIZCTEOSA-N 0 1 290.407 2.972 20 10 CFCDMN CC[C@H](C)c1nnc([C@H](C)NCc2ccccc2O)[nH]1 ZINC000277386268 522055475 /nfs/dbraw/zinc/05/54/75/522055475.db2.gz JBOSYBLQOOYCAX-QWRGUYRKSA-N 0 1 274.368 2.875 20 10 CFCDMN CCc1nc(CN(C)c2ccc(OC(C)C)cc2)n[nH]1 ZINC000191590501 522292164 /nfs/dbraw/zinc/29/21/64/522292164.db2.gz UGSGFVMQACQUKI-UHFFFAOYSA-N 0 1 274.368 2.791 20 10 CFCDMN CC[C@@H](C)c1nnc([C@H](C)NCc2ccccc2O)[nH]1 ZINC000277386264 522442411 /nfs/dbraw/zinc/44/24/11/522442411.db2.gz JBOSYBLQOOYCAX-MNOVXSKESA-N 0 1 274.368 2.875 20 10 CFCDMN CC[C@@H](c1ccccc1O)N1CC(n2cc(C)cn2)C1 ZINC000364489921 523104530 /nfs/dbraw/zinc/10/45/30/523104530.db2.gz YYBRJJPZJOMXJN-HNNXBMFYSA-N 0 1 271.364 2.905 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)(C)CO ZINC000294835937 523170324 /nfs/dbraw/zinc/17/03/24/523170324.db2.gz QLTKCGBHCVWXBY-UHFFFAOYSA-N 0 1 275.751 2.635 20 10 CFCDMN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000285508075 523407618 /nfs/dbraw/zinc/40/76/18/523407618.db2.gz DEGVZUWFZKWRLI-VIFPVBQESA-N 0 1 285.771 2.715 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000285508075 523407627 /nfs/dbraw/zinc/40/76/27/523407627.db2.gz DEGVZUWFZKWRLI-VIFPVBQESA-N 0 1 285.771 2.715 20 10 CFCDMN CN1CCCc2cc(CNCc3ccccn3)ccc21 ZINC000050266788 523863748 /nfs/dbraw/zinc/86/37/48/523863748.db2.gz VVCPLIGXRVQPCO-UHFFFAOYSA-N 0 1 267.376 2.754 20 10 CFCDMN COc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1 ZINC000071711700 524434529 /nfs/dbraw/zinc/43/45/29/524434529.db2.gz ZBUBBKYIPJHYFH-OAHLLOKOSA-N 0 1 297.402 2.973 20 10 CFCDMN C[C@@H]1COCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000285365396 525138046 /nfs/dbraw/zinc/13/80/46/525138046.db2.gz BTLRJAPGHKBEMW-MNOVXSKESA-N 0 1 269.772 2.808 20 10 CFCDMN C[C@@H]([NH2+]CCCCO)c1cc(Br)ccc1[O-] ZINC000194215040 525434937 /nfs/dbraw/zinc/43/49/37/525434937.db2.gz RDGAZWYCBAHHKT-SECBINFHSA-N 0 1 288.185 2.578 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000219893506 525440447 /nfs/dbraw/zinc/44/04/47/525440447.db2.gz QDSJSBVMGGJJBS-NXEZZACHSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H](NCc1ncccc1N(C)C)c1cc(F)ccc1O ZINC000289941180 525489432 /nfs/dbraw/zinc/48/94/32/525489432.db2.gz VZAFOAKGNHATSJ-NSHDSACASA-N 0 1 289.354 2.843 20 10 CFCDMN C[C@H](O)C[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000123477046 525805340 /nfs/dbraw/zinc/80/53/40/525805340.db2.gz HDQYGFPDJMIJMZ-UWVGGRQHSA-N 0 1 257.761 2.542 20 10 CFCDMN C[C@@H](O)C[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000123476606 525829332 /nfs/dbraw/zinc/82/93/32/525829332.db2.gz HDQYGFPDJMIJMZ-VHSXEESVSA-N 0 1 257.761 2.542 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](C)c2ncnn2C)c(O)c1C ZINC000276669151 525938650 /nfs/dbraw/zinc/93/86/50/525938650.db2.gz RNZGJEOXZLEHLH-RYUDHWBXSA-N 0 1 274.368 2.549 20 10 CFCDMN COc1cccc(CN2CCO[C@H](C(C)(C)C)C2)c1O ZINC000280447199 525948291 /nfs/dbraw/zinc/94/82/91/525948291.db2.gz KXSKFIRNQSIERW-AWEZNQCLSA-N 0 1 279.380 2.648 20 10 CFCDMN [O-]c1c(F)cccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000166373005 526328166 /nfs/dbraw/zinc/32/81/66/526328166.db2.gz SVAQOISIKIIQKA-UHFFFAOYSA-N 0 1 292.398 2.982 20 10 CFCDMN Cc1nnsc1CN[C@@H](C)c1cc(F)ccc1O ZINC000293351927 526447819 /nfs/dbraw/zinc/44/78/19/526447819.db2.gz GZJHUGMEAYJBDR-ZETCQYMHSA-N 0 1 267.329 2.542 20 10 CFCDMN Cc1noc(C)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552202 526514997 /nfs/dbraw/zinc/51/49/97/526514997.db2.gz DFZPXQHAFFJCMZ-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN Cc1noc(C)c1CNCc1c(O)cccc1Cl ZINC000083552202 526515003 /nfs/dbraw/zinc/51/50/03/526515003.db2.gz DFZPXQHAFFJCMZ-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275073113 527569996 /nfs/dbraw/zinc/56/99/96/527569996.db2.gz XTSGOIGOOWNIAZ-MFKMUULPSA-N 0 1 269.772 2.686 20 10 CFCDMN OC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000265205494 527608726 /nfs/dbraw/zinc/60/87/26/527608726.db2.gz BXGKCTUYFDZSMF-INIZCTEOSA-N 0 1 287.334 2.584 20 10 CFCDMN CC[C@@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738083271 574057384 /nfs/dbraw/zinc/05/73/84/574057384.db2.gz VHEKTSRDUGALLE-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[C@@H]1COCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738083271 574057386 /nfs/dbraw/zinc/05/73/86/574057386.db2.gz VHEKTSRDUGALLE-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1CN1CCCCC1 ZINC000732284732 574150139 /nfs/dbraw/zinc/15/01/39/574150139.db2.gz AKJGVARXRPVUME-GFCCVEGCSA-N 0 1 294.420 2.544 20 10 CFCDMN C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738276804 574162458 /nfs/dbraw/zinc/16/24/58/574162458.db2.gz MAAMMJJVCBESGR-LLVKDONJSA-N 0 1 274.389 2.878 20 10 CFCDMN C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738276804 574162460 /nfs/dbraw/zinc/16/24/60/574162460.db2.gz MAAMMJJVCBESGR-LLVKDONJSA-N 0 1 274.389 2.878 20 10 CFCDMN CCNC(=O)CN(C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000747074418 574178228 /nfs/dbraw/zinc/17/82/28/574178228.db2.gz QBKYQWLCARXDCK-UHFFFAOYSA-N 0 1 292.423 2.566 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000756533100 574244093 /nfs/dbraw/zinc/24/40/93/574244093.db2.gz GWXMLKWIKFXPDT-KOLCDFICSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H]1C[C@@H](NCc2nccn2C)c2c1c(F)ccc2O ZINC000756539707 574244716 /nfs/dbraw/zinc/24/47/16/574244716.db2.gz SBFDACJGGWYLTG-GXSJLCMTSA-N 0 1 275.327 2.603 20 10 CFCDMN C[C@@H](NCc1cc[nH]n1)c1cc2c(cc1O)CCCC2 ZINC000756555463 574246969 /nfs/dbraw/zinc/24/69/69/574246969.db2.gz VMTKTWZKFWPLMV-LLVKDONJSA-N 0 1 271.364 2.845 20 10 CFCDMN C[C@@H]([NH2+]CCN1CCC1)c1ccc(Br)cc1[O-] ZINC000756768813 574261348 /nfs/dbraw/zinc/26/13/48/574261348.db2.gz NIOMBPVTFRVLEH-SNVBAGLBSA-N 0 1 299.212 2.511 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000741753385 574301112 /nfs/dbraw/zinc/30/11/12/574301112.db2.gz WVWCMRIFRKWANV-ZIAGYGMSSA-N 0 1 262.397 2.752 20 10 CFCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000735299033 574319180 /nfs/dbraw/zinc/31/91/80/574319180.db2.gz YJEFVJBIRXUSOJ-UHFFFAOYSA-N 0 1 286.375 2.941 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000735299033 574319184 /nfs/dbraw/zinc/31/91/84/574319184.db2.gz YJEFVJBIRXUSOJ-UHFFFAOYSA-N 0 1 286.375 2.941 20 10 CFCDMN Cc1cc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000725848194 574328631 /nfs/dbraw/zinc/32/86/31/574328631.db2.gz LCZHGBQWMYKNFX-UHFFFAOYSA-N 0 1 297.698 2.540 20 10 CFCDMN CO[C@H](C)C[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000750825478 574357403 /nfs/dbraw/zinc/35/74/03/574357403.db2.gz DBIKHPAVFHATQH-LLVKDONJSA-N 0 1 297.370 2.979 20 10 CFCDMN CO[C@H](C)C[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000750825478 574357405 /nfs/dbraw/zinc/35/74/05/574357405.db2.gz DBIKHPAVFHATQH-LLVKDONJSA-N 0 1 297.370 2.979 20 10 CFCDMN O=C([O-])c1cccc(C[NH2+]Cc2cccc(F)c2O)c1 ZINC000821552236 598213107 /nfs/dbraw/zinc/21/31/07/598213107.db2.gz BVCJPQKDIJYUCE-UHFFFAOYSA-N 0 1 275.279 2.519 20 10 CFCDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000116345739 600224211 /nfs/dbraw/zinc/22/42/11/600224211.db2.gz STINWWTWXXSJJA-UHFFFAOYSA-N 0 1 290.407 2.974 20 10 CFCDMN O=C([O-])[C@@]1(F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000833176011 601371708 /nfs/dbraw/zinc/37/17/08/601371708.db2.gz VTCNGJUBCWMYJD-MRXNPFEDSA-N 0 1 289.306 2.544 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1C ZINC000833746757 604663168 /nfs/dbraw/zinc/66/31/68/604663168.db2.gz HWNVHJPRDITOGE-UHFFFAOYSA-N 0 1 277.364 2.838 20 10 CFCDMN CCCSCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757760 617834923 /nfs/dbraw/zinc/83/49/23/617834923.db2.gz KXKKBCYUBSFGRG-UHFFFAOYSA-N 0 1 273.785 2.805 20 10 CFCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000234103067 617994109 /nfs/dbraw/zinc/99/41/09/617994109.db2.gz VAQYCTHOOVYLKH-HNNXBMFYSA-N 0 1 281.327 2.608 20 10 CFCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000891399877 618185975 /nfs/dbraw/zinc/18/59/75/618185975.db2.gz PBHHJBUUEGMVBE-UHFFFAOYSA-N 0 1 274.364 2.986 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840875256 618213061 /nfs/dbraw/zinc/21/30/61/618213061.db2.gz LCKBAOUILKJVJI-CYBMUJFWSA-N 0 1 281.739 2.770 20 10 CFCDMN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000310068698 618264985 /nfs/dbraw/zinc/26/49/85/618264985.db2.gz XILVSKFHHDAGRU-JOYOIKCWSA-N 0 1 255.745 2.560 20 10 CFCDMN C[C@@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894028166 618280630 /nfs/dbraw/zinc/28/06/30/618280630.db2.gz WLJUAIIUWYFLEI-MRVPVSSYSA-N 0 1 259.321 2.608 20 10 CFCDMN CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C ZINC000188298757 618342751 /nfs/dbraw/zinc/34/27/51/618342751.db2.gz LTRWLNNZKZURPF-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C ZINC000188298757 618342755 /nfs/dbraw/zinc/34/27/55/618342755.db2.gz LTRWLNNZKZURPF-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179891373 618393636 /nfs/dbraw/zinc/39/36/36/618393636.db2.gz ZVCTURDGMNICML-LBPRGKRZSA-N 0 1 283.755 2.573 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179891373 618393643 /nfs/dbraw/zinc/39/36/43/618393643.db2.gz ZVCTURDGMNICML-LBPRGKRZSA-N 0 1 283.755 2.573 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895438526 618586807 /nfs/dbraw/zinc/58/68/07/618586807.db2.gz XNAWMVCNZMNTBX-TZMCWYRMSA-N 0 1 269.772 2.781 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895438526 618586809 /nfs/dbraw/zinc/58/68/09/618586809.db2.gz XNAWMVCNZMNTBX-TZMCWYRMSA-N 0 1 269.772 2.781 20 10 CFCDMN COC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000307763499 618706052 /nfs/dbraw/zinc/70/60/52/618706052.db2.gz IXSJONGVXMRKSC-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN Cc1cc(F)ncc1CNCc1ccc2c(c1)CCO2 ZINC000892793416 618747526 /nfs/dbraw/zinc/74/75/26/618747526.db2.gz MGMIJGRRTOWOKG-UHFFFAOYSA-N 0 1 272.323 2.754 20 10 CFCDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000197359648 618963083 /nfs/dbraw/zinc/96/30/83/618963083.db2.gz KRYUKQGITRWYEQ-OAHLLOKOSA-N 0 1 278.396 2.684 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H](CCO)c1ccco1 ZINC000840938662 619078095 /nfs/dbraw/zinc/07/80/95/619078095.db2.gz PWZQMPWGLISRLG-MRXNPFEDSA-N 0 1 288.391 2.867 20 10 CFCDMN CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000226250832 619148870 /nfs/dbraw/zinc/14/88/70/619148870.db2.gz KGXQPDBUXMIHPU-CYBMUJFWSA-N 0 1 257.761 2.686 20 10 CFCDMN C[C@@H](N[C@@H]1CNOC1)c1ccc(N2CCCCCC2)cc1 ZINC000925863272 619188844 /nfs/dbraw/zinc/18/88/44/619188844.db2.gz AFCSGDJZRIZUBW-GDBMZVCRSA-N 0 1 289.423 2.621 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000840975592 619202078 /nfs/dbraw/zinc/20/20/78/619202078.db2.gz PHFAQWLLWLSVIY-OAHLLOKOSA-N 0 1 297.782 2.821 20 10 CFCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000840975592 619202082 /nfs/dbraw/zinc/20/20/82/619202082.db2.gz PHFAQWLLWLSVIY-OAHLLOKOSA-N 0 1 297.782 2.821 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978075 619207291 /nfs/dbraw/zinc/20/72/91/619207291.db2.gz KZMURXFESCAXBV-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)cc(OC)c1O ZINC000893898756 619237190 /nfs/dbraw/zinc/23/71/90/619237190.db2.gz ZICFZBSMPYIERO-GXTWGEPZSA-N 0 1 279.380 2.709 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCSC1 ZINC000893928706 619245895 /nfs/dbraw/zinc/24/58/95/619245895.db2.gz DRHJOXLYCSGWPG-SNVBAGLBSA-N 0 1 259.321 2.608 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCSCC1 ZINC000894421330 619380368 /nfs/dbraw/zinc/38/03/68/619380368.db2.gz CYXQSMANBMPFBN-UHFFFAOYSA-N 0 1 259.321 2.609 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894564020 619418909 /nfs/dbraw/zinc/41/89/09/619418909.db2.gz YSJQLSIWVHOJKL-SECBINFHSA-N 0 1 273.348 2.998 20 10 CFCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894572253 619421853 /nfs/dbraw/zinc/42/18/53/619421853.db2.gz FLTCYFKHAGUVTG-HNNXBMFYSA-N 0 1 285.334 2.797 20 10 CFCDMN COc1ccc(CNCc2nc(C(C)C)c[nH]2)c(O)c1 ZINC000894635011 619433821 /nfs/dbraw/zinc/43/38/21/619433821.db2.gz GOJWDESXCUWVEC-UHFFFAOYSA-N 0 1 275.352 2.537 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1(C)C ZINC000894905225 619509094 /nfs/dbraw/zinc/50/90/94/619509094.db2.gz TXQCQUZTWMZBJS-CYBMUJFWSA-N 0 1 285.334 2.917 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1(C)C ZINC000894905228 619509112 /nfs/dbraw/zinc/50/91/12/619509112.db2.gz TXQCQUZTWMZBJS-ZDUSSCGKSA-N 0 1 285.334 2.917 20 10 CFCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916313 619512417 /nfs/dbraw/zinc/51/24/17/619512417.db2.gz FAEYFDGWTYBLTI-LBPRGKRZSA-N 0 1 285.334 2.653 20 10 CFCDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845775 619621262 /nfs/dbraw/zinc/62/12/62/619621262.db2.gz IZXNGQJOKZODDL-ABAIWWIYSA-N 0 1 265.328 2.532 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000897067141 619924515 /nfs/dbraw/zinc/92/45/15/619924515.db2.gz FAIMEDAPKWCNMG-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000840997657 620116550 /nfs/dbraw/zinc/11/65/50/620116550.db2.gz 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ZINC000773822200 627860457 /nfs/dbraw/zinc/86/04/57/627860457.db2.gz UCKUIZQVHJPKFO-UHFFFAOYSA-N 0 1 274.408 2.898 20 10 CFCDMN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000774482484 627931656 /nfs/dbraw/zinc/93/16/56/627931656.db2.gz GMAICHUCOQTDSE-STQMWFEESA-N 0 1 270.380 2.954 20 10 CFCDMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000774831484 627968570 /nfs/dbraw/zinc/96/85/70/627968570.db2.gz VEFVOUWNSOPXJR-HZMBPMFUSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@H]([NH2+]CC[S@](=O)CC)c1cc(Cl)ccc1[O-] ZINC000775504257 628032400 /nfs/dbraw/zinc/03/24/00/628032400.db2.gz WQXZWEZIWTZDKO-KPZWWZAWSA-N 0 1 289.828 2.855 20 10 CFCDMN CC[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775504282 628032607 /nfs/dbraw/zinc/03/26/07/628032607.db2.gz XGTKSUXWRLCOCT-NSHDSACASA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Cl)ccc1[O-] ZINC000775498248 628032659 /nfs/dbraw/zinc/03/26/59/628032659.db2.gz ZIDJWZRKRPVELN-MFKMUULPSA-N 0 1 294.786 2.767 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775524567 628033807 /nfs/dbraw/zinc/03/38/07/628033807.db2.gz CFQZCCRMOSIQSR-SKDRFNHKSA-N 0 1 284.787 2.563 20 10 CFCDMN CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775555962 628037140 /nfs/dbraw/zinc/03/71/40/628037140.db2.gz TXHZKCNZVDMEES-ZFWWWQNUSA-N 0 1 299.798 2.892 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000775654217 628050043 /nfs/dbraw/zinc/05/00/43/628050043.db2.gz VHUQAESSCSLWBY-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COC(=O)C(C)(C)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775674855 628053221 /nfs/dbraw/zinc/05/32/21/628053221.db2.gz MDVIGUVMEWUVPU-UHFFFAOYSA-N 0 1 289.734 2.568 20 10 CFCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)nc1 ZINC000775935392 628085509 /nfs/dbraw/zinc/08/55/09/628085509.db2.gz KXSLJZPVWZVZSD-UHFFFAOYSA-N 0 1 285.391 2.788 20 10 CFCDMN COc1cccc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000779149534 628356187 /nfs/dbraw/zinc/35/61/87/628356187.db2.gz NNFOPFAWLHPOJC-CMPLNLGQSA-N 0 1 253.317 2.581 20 10 CFCDMN CNC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231109 635266131 /nfs/dbraw/zinc/26/61/31/635266131.db2.gz DUEOLSYEIBXTRW-YUMQZZPRSA-N 0 1 277.195 2.958 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1ccc(N(C)C)cc1 ZINC000781527476 628557671 /nfs/dbraw/zinc/55/76/71/628557671.db2.gz OUESOMGSSKCDAV-INIZCTEOSA-N 0 1 290.407 2.670 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@@H](C(=O)OC)C1CC1 ZINC000782040467 628599224 /nfs/dbraw/zinc/59/92/24/628599224.db2.gz BTVRFKOCSNYURI-OAHLLOKOSA-N 0 1 277.364 2.556 20 10 CFCDMN CCOC(CC[NH2+]Cc1cc(Cl)ccc1[O-])OCC ZINC000786836103 628981576 /nfs/dbraw/zinc/98/15/76/628981576.db2.gz VXIDPLFUBSCHOO-UHFFFAOYSA-N 0 1 287.787 2.924 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2cc(C(N)=O)co2)c(O)c1 ZINC000788767138 629098561 /nfs/dbraw/zinc/09/85/61/629098561.db2.gz TYSQQRPNWSBOBN-LLVKDONJSA-N 0 1 288.347 2.552 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789541594 629164658 /nfs/dbraw/zinc/16/46/58/629164658.db2.gz NZKHHNOTWOXUFF-GOSISDBHSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789541594 629164660 /nfs/dbraw/zinc/16/46/60/629164660.db2.gz NZKHHNOTWOXUFF-GOSISDBHSA-N 0 1 298.386 2.943 20 10 CFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789563936 629166685 /nfs/dbraw/zinc/16/66/85/629166685.db2.gz AJERPXWHBNVCRQ-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN CCc1nc(NC(=O)c2c(F)ccc(O)c2O)sc1C ZINC000789959506 629199888 /nfs/dbraw/zinc/19/98/88/629199888.db2.gz QOMOSSSHQOMEGZ-UHFFFAOYSA-N 0 1 296.323 2.817 20 10 CFCDMN Cc1ccc(O)c(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000790069740 629208142 /nfs/dbraw/zinc/20/81/42/629208142.db2.gz PZNOWBKQOGQLCR-UHFFFAOYSA-N 0 1 277.251 2.503 20 10 CFCDMN Cc1nc(C)c(NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000790070517 629208180 /nfs/dbraw/zinc/20/81/80/629208180.db2.gz BHFMVNXZCKUESU-UHFFFAOYSA-N 0 1 282.296 2.563 20 10 CFCDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cccc(O)c1O ZINC000790938791 629273121 /nfs/dbraw/zinc/27/31/21/629273121.db2.gz UYVOMERFJRQBMW-UHFFFAOYSA-N 0 1 297.669 2.848 20 10 CFCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cnn(C)c2)cc1 ZINC000835024683 629321303 /nfs/dbraw/zinc/32/13/03/629321303.db2.gz BALFORLGHJRAGV-AATRIKPKSA-N 0 1 284.407 2.631 20 10 CFCDMN CC(C)[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](C)O ZINC000792167542 629404261 /nfs/dbraw/zinc/40/42/61/629404261.db2.gz JUNHANJJACPSRI-VIFPVBQESA-N 0 1 275.751 2.776 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000792167219 629404499 /nfs/dbraw/zinc/40/44/99/629404499.db2.gz FBRDUKPZRDDPTQ-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN Cc1noc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000792177457 629407046 /nfs/dbraw/zinc/40/70/46/629407046.db2.gz SOEZAFUWRLDVQB-SSDOTTSWSA-N 0 1 267.716 2.588 20 10 CFCDMN Cc1noc([C@@H](C)NCc2cccc(Cl)c2O)n1 ZINC000792177457 629407050 /nfs/dbraw/zinc/40/70/50/629407050.db2.gz SOEZAFUWRLDVQB-SSDOTTSWSA-N 0 1 267.716 2.588 20 10 CFCDMN Cc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)n(C)n1 ZINC000793530065 629562908 /nfs/dbraw/zinc/56/29/08/629562908.db2.gz VYUJKPDJARZEHE-LBPRGKRZSA-N 0 1 290.386 2.784 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cnc(C)cn2)c1 ZINC000794462946 629648512 /nfs/dbraw/zinc/64/85/12/629648512.db2.gz SYOVXVIDPQHWBV-NEPJUHHUSA-N 0 1 287.363 2.911 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H](C2CC2)O1 ZINC000794653277 629671582 /nfs/dbraw/zinc/67/15/82/629671582.db2.gz LQICNUDXEKQGLL-SGTLLEGYSA-N 0 1 298.386 2.940 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H](C2CC2)O1 ZINC000794653277 629671587 /nfs/dbraw/zinc/67/15/87/629671587.db2.gz LQICNUDXEKQGLL-SGTLLEGYSA-N 0 1 298.386 2.940 20 10 CFCDMN COc1cc(C)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000794652256 629671597 /nfs/dbraw/zinc/67/15/97/629671597.db2.gz INLQQBBMDWSYSO-LRDDRELGSA-N 0 1 291.391 2.709 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cccnc2F)c1 ZINC000794834616 629692485 /nfs/dbraw/zinc/69/24/85/629692485.db2.gz JWCGOAGODUJVMB-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cccnc2F)c1 ZINC000794834612 629692662 /nfs/dbraw/zinc/69/26/62/629692662.db2.gz JWCGOAGODUJVMB-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN CCc1oc(CNCc2ccccc2O)cc1C(=O)OC ZINC000802644045 630534522 /nfs/dbraw/zinc/53/45/22/630534522.db2.gz BNBRLIAYONGMSB-UHFFFAOYSA-N 0 1 289.331 2.624 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000840121998 630914873 /nfs/dbraw/zinc/91/48/73/630914873.db2.gz FKUAXVWWPLEIPV-SJKOYZFVSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000840121998 630914875 /nfs/dbraw/zinc/91/48/75/630914875.db2.gz FKUAXVWWPLEIPV-SJKOYZFVSA-N 0 1 286.375 2.797 20 10 CFCDMN C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000840765661 631220624 /nfs/dbraw/zinc/22/06/24/631220624.db2.gz GLJZCQZCGCAFOT-SNVBAGLBSA-N 0 1 279.771 2.672 20 10 CFCDMN CCn1ccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000840886374 631251261 /nfs/dbraw/zinc/25/12/61/631251261.db2.gz DWFFMNBGMQYIDC-UHFFFAOYSA-N 0 1 262.332 2.720 20 10 CFCDMN CCC(O)(CC)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840886956 631252500 /nfs/dbraw/zinc/25/25/00/631252500.db2.gz PCPLKHXHJKJHBY-UHFFFAOYSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000840903403 631256403 /nfs/dbraw/zinc/25/64/03/631256403.db2.gz CEHLZWYJBUJKTK-MFKMUULPSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000840908541 631258326 /nfs/dbraw/zinc/25/83/26/631258326.db2.gz SRGNHFVUMQUNSZ-OKILXGFUSA-N 0 1 262.397 2.670 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840909272 631258452 /nfs/dbraw/zinc/25/84/52/631258452.db2.gz FSTHMMZMMYNJLV-INIZCTEOSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000840910820 631260384 /nfs/dbraw/zinc/26/03/84/631260384.db2.gz SJSCPVDTAXOWPZ-KGLIPLIRSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1C[C@H](C)OC[C@H]1C ZINC000840910820 631260390 /nfs/dbraw/zinc/26/03/90/631260390.db2.gz SJSCPVDTAXOWPZ-KGLIPLIRSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840911235 631261066 /nfs/dbraw/zinc/26/10/66/631261066.db2.gz YISIYTQEGSNVGZ-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840911235 631261072 /nfs/dbraw/zinc/26/10/72/631261072.db2.gz YISIYTQEGSNVGZ-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840911235 631261075 /nfs/dbraw/zinc/26/10/75/631261075.db2.gz YISIYTQEGSNVGZ-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](C)O)c(Cl)c1 ZINC000840936725 631268754 /nfs/dbraw/zinc/26/87/54/631268754.db2.gz LFPILFKNQBSNHM-NXEZZACHSA-N 0 1 257.761 2.603 20 10 CFCDMN CCN(Cc1ccncc1)Cc1c(O)cccc1OC ZINC000809726146 631273001 /nfs/dbraw/zinc/27/30/01/631273001.db2.gz DRCDHECCXSNSHF-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840941584 631274064 /nfs/dbraw/zinc/27/40/64/631274064.db2.gz ZAKIPQBTQLVYMN-NSHDSACASA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC(F)(F)F)c(Cl)c1 ZINC000840942211 631274182 /nfs/dbraw/zinc/27/41/82/631274182.db2.gz VOWZYEWNENJGAI-UHFFFAOYSA-N 0 1 283.677 2.980 20 10 CFCDMN COC[C@H]1CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840948616 631276041 /nfs/dbraw/zinc/27/60/41/631276041.db2.gz GWXKRMQMBLFLJC-SNVBAGLBSA-N 0 1 255.745 2.575 20 10 CFCDMN COC[C@H]1CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840948616 631276048 /nfs/dbraw/zinc/27/60/48/631276048.db2.gz GWXKRMQMBLFLJC-SNVBAGLBSA-N 0 1 255.745 2.575 20 10 CFCDMN COC[C@H]1CCN1Cc1c(O)cc(C)cc1Cl ZINC000840948616 631276055 /nfs/dbraw/zinc/27/60/55/631276055.db2.gz GWXKRMQMBLFLJC-SNVBAGLBSA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)c(Cl)c1 ZINC000840948619 631277639 /nfs/dbraw/zinc/27/76/39/631277639.db2.gz VVCVUDFHLJAYQW-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)c(Cl)c1 ZINC000840948619 631277645 /nfs/dbraw/zinc/27/76/45/631277645.db2.gz VVCVUDFHLJAYQW-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809767180 631284895 /nfs/dbraw/zinc/28/48/95/631284895.db2.gz GSUSJXYAKAVSBM-LBPRGKRZSA-N 0 1 271.788 2.884 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCOCC(F)(F)C1 ZINC000809788037 631289168 /nfs/dbraw/zinc/28/91/68/631289168.db2.gz LTHGZQLOEIVAGN-UHFFFAOYSA-N 0 1 295.688 2.652 20 10 CFCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)c(F)c1 ZINC000840997791 631298218 /nfs/dbraw/zinc/29/82/18/631298218.db2.gz DMCCATYYSCAENB-UHFFFAOYSA-N 0 1 296.386 2.969 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841100293 631339471 /nfs/dbraw/zinc/33/94/71/631339471.db2.gz BWTLWYKQLRNOIU-MRXNPFEDSA-N 0 1 286.350 2.678 20 10 CFCDMN C[C@@H]([NH2+]CCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000841743746 631463081 /nfs/dbraw/zinc/46/30/81/631463081.db2.gz JVTSIYHBVVXTOE-SNVBAGLBSA-N 0 1 265.744 2.593 20 10 CFCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000841751822 631465203 /nfs/dbraw/zinc/46/52/03/631465203.db2.gz KQRQROHHEOHFFT-RIEGTJTDSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751253 631465618 /nfs/dbraw/zinc/46/56/18/631465618.db2.gz GPSAFNHZJWSEBJ-OASPWFOLSA-N 0 1 269.772 3.000 20 10 CFCDMN CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750738 631465628 /nfs/dbraw/zinc/46/56/28/631465628.db2.gz ADCBEAXTCVYCLR-MWLCHTKSSA-N 0 1 257.761 2.857 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757982 631468090 /nfs/dbraw/zinc/46/80/90/631468090.db2.gz QRJSIGWDIWQLOE-GAJTVXKRSA-N 0 1 285.771 2.500 20 10 CFCDMN c1ccc2c(c1)COC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000841892224 631488933 /nfs/dbraw/zinc/48/89/33/631488933.db2.gz ZLEGVEKOJKTFLG-QGZVFWFLSA-N 0 1 281.355 2.983 20 10 CFCDMN CC1(C)[C@H](O)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000812779602 631771623 /nfs/dbraw/zinc/77/16/23/631771623.db2.gz SYSTUUAYPIDGLG-LLVKDONJSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000842929229 631784333 /nfs/dbraw/zinc/78/43/33/631784333.db2.gz NHVXSDVITKUPRF-WCABBAIRSA-N 0 1 255.745 2.874 20 10 CFCDMN [O-]c1c(F)cccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047892 631813565 /nfs/dbraw/zinc/81/35/65/631813565.db2.gz AHNGPLAZASDUJM-CABCVRRESA-N 0 1 278.371 2.638 20 10 CFCDMN COCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000156033626 650041935 /nfs/dbraw/zinc/04/19/35/650041935.db2.gz IGRHGXILEYRWCH-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN CC1(CC(F)F)CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843425098 631954171 /nfs/dbraw/zinc/95/41/71/631954171.db2.gz VUMNABBOVDYDGY-UHFFFAOYSA-N 0 1 285.290 2.598 20 10 CFCDMN COc1cccc(O)c1CN1CC(C)(CC(F)F)C1 ZINC000843425089 631954816 /nfs/dbraw/zinc/95/48/16/631954816.db2.gz USXYANLBBURPKX-UHFFFAOYSA-N 0 1 271.307 2.878 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000843433417 631958849 /nfs/dbraw/zinc/95/88/49/631958849.db2.gz ZTAQSIUQVNYIJD-BXUZGUMPSA-N 0 1 257.333 2.812 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2occc2C)c1 ZINC000814175842 632023235 /nfs/dbraw/zinc/02/32/35/632023235.db2.gz ZWFSQQHQAMXCDV-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1N(C)C ZINC000815007625 632187134 /nfs/dbraw/zinc/18/71/34/632187134.db2.gz BZMOKNUBQJFKEH-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1c(CN(C)Cc2ccc(N(C)C)c(C)c2)cnn1C ZINC000815102279 632202396 /nfs/dbraw/zinc/20/23/96/632202396.db2.gz HQHRPSDLRFXXDK-UHFFFAOYSA-N 0 1 286.423 2.735 20 10 CFCDMN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1C(C)C ZINC000844740188 632293853 /nfs/dbraw/zinc/29/38/53/632293853.db2.gz FVJSKSLRIRLCJP-PJSUUKDQSA-N 0 1 293.432 2.529 20 10 CFCDMN C[C@H]([NH2+]CC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645009 632304182 /nfs/dbraw/zinc/30/41/82/632304182.db2.gz SERVBFCAJLOKQV-ZETCQYMHSA-N 0 1 260.240 2.606 20 10 CFCDMN CCCC[N@H+](CC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000816492120 632469961 /nfs/dbraw/zinc/46/99/61/632469961.db2.gz ISFJBLISOSWWRZ-UHFFFAOYSA-N 0 1 286.375 2.633 20 10 CFCDMN CCCC[N@@H+](CC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000816492120 632469966 /nfs/dbraw/zinc/46/99/66/632469966.db2.gz ISFJBLISOSWWRZ-UHFFFAOYSA-N 0 1 286.375 2.633 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000816504443 632473338 /nfs/dbraw/zinc/47/33/38/632473338.db2.gz NFFGJCVHUYHPHF-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1c(C[N@@H+](CCCO)C2CC2)ccc2ccccc21 ZINC000816510345 632475708 /nfs/dbraw/zinc/47/57/08/632475708.db2.gz SKKNKIOSOLUBNN-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[N@H+](CCCO)C2CC2)ccc2ccccc21 ZINC000816510345 632475711 /nfs/dbraw/zinc/47/57/11/632475711.db2.gz SKKNKIOSOLUBNN-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN CC(C)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816550020 632481460 /nfs/dbraw/zinc/48/14/60/632481460.db2.gz FXPRDUBITXJTSJ-OAHLLOKOSA-N 0 1 259.349 2.652 20 10 CFCDMN C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553496 632482998 /nfs/dbraw/zinc/48/29/98/632482998.db2.gz XKUCKGSJEXCHSH-RYUDHWBXSA-N 0 1 259.349 2.652 20 10 CFCDMN CSC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553516 632483259 /nfs/dbraw/zinc/48/32/59/632483259.db2.gz YIVITQJSMBIFLK-INIZCTEOSA-N 0 1 291.416 2.749 20 10 CFCDMN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559028 632483933 /nfs/dbraw/zinc/48/39/33/632483933.db2.gz VDNNKEHZNWPQLI-JKSUJKDBSA-N 0 1 298.386 2.550 20 10 CFCDMN C[C@@H]1CCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816563299 632484900 /nfs/dbraw/zinc/48/49/00/632484900.db2.gz SHRHGPMIXRGQQE-CQSZACIVSA-N 0 1 284.403 2.977 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCn3ccnc3C2)ccc2ccccc21 ZINC000816574295 632488119 /nfs/dbraw/zinc/48/81/19/632488119.db2.gz CIOBQYZKFPBOLR-HNNXBMFYSA-N 0 1 293.370 2.847 20 10 CFCDMN CC1(C)[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816574929 632488307 /nfs/dbraw/zinc/48/83/07/632488307.db2.gz WYMYYZPCCZELKK-CABCVRRESA-N 0 1 271.360 2.794 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOCC(F)(F)C1 ZINC000816612998 632494519 /nfs/dbraw/zinc/49/45/19/632494519.db2.gz DYXLQVCGGAXGNU-UHFFFAOYSA-N 0 1 295.688 2.652 20 10 CFCDMN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[N@@H+]1C ZINC000816653383 632505232 /nfs/dbraw/zinc/50/52/32/632505232.db2.gz PWDIQWBZENBBSR-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN CC[C@H]1C[N@@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816660434 632505864 /nfs/dbraw/zinc/50/58/64/632505864.db2.gz DUHKKDYRFNQOAU-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN COc1cccc(CN2CCOC[C@H]2CC2CCC2)c1O ZINC000816667459 632508770 /nfs/dbraw/zinc/50/87/70/632508770.db2.gz NTPHIUYVTYMYAW-OAHLLOKOSA-N 0 1 291.391 2.792 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000816667677 632509942 /nfs/dbraw/zinc/50/99/42/632509942.db2.gz UFCPMDBESJJSSL-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000845999356 632610659 /nfs/dbraw/zinc/61/06/59/632610659.db2.gz IADZJGJFTKRZKU-UHFFFAOYSA-N 0 1 292.335 2.828 20 10 CFCDMN CCOc1ccc(CN2C[C@H](CC)OC[C@@H]2C)c(O)c1 ZINC000846043843 632622973 /nfs/dbraw/zinc/62/29/73/632622973.db2.gz NCJGIOQRWLTOOL-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413252 632624488 /nfs/dbraw/zinc/62/44/88/632624488.db2.gz UWLZOERPYKOJTJ-UWVGGRQHSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412653 632624763 /nfs/dbraw/zinc/62/47/63/632624763.db2.gz NRLHPWXRVATEFX-VHSXEESVSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412110 632624830 /nfs/dbraw/zinc/62/48/30/632624830.db2.gz CZCPZPAHNAZUOX-VHSXEESVSA-N 0 1 287.762 2.635 20 10 CFCDMN CC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H](CC)O1 ZINC000817413502 632625482 /nfs/dbraw/zinc/62/54/82/632625482.db2.gz YOMMWCVLGJXUMS-BETUJISGSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@H](O)c1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000846056310 632625535 /nfs/dbraw/zinc/62/55/35/632625535.db2.gz TUGAUWULKCVCBG-QMMMGPOBSA-N 0 1 298.795 2.845 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)OCC23CCC3)c1O ZINC000846066567 632627541 /nfs/dbraw/zinc/62/75/41/632627541.db2.gz CTMGXVDEWQPLMS-CYBMUJFWSA-N 0 1 291.391 2.934 20 10 CFCDMN COc1ccc(O)c(CN2C[C@H](C)OCC23CCC3)c1 ZINC000846067872 632628859 /nfs/dbraw/zinc/62/88/59/632628859.db2.gz ZNPDNNWHKACGSP-LBPRGKRZSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1cccc([C@H](C)NCc2nccs2)c1O ZINC000846147557 632646524 /nfs/dbraw/zinc/64/65/24/632646524.db2.gz VYGGKJJARAHXIO-VIFPVBQESA-N 0 1 264.350 2.708 20 10 CFCDMN CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000846208887 632660358 /nfs/dbraw/zinc/66/03/58/632660358.db2.gz NKXNTMWJHMVVDB-WDEREUQCSA-N 0 1 296.798 2.565 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)CCF)c1ccc2ccccc2c1[O-] ZINC000846209312 632660987 /nfs/dbraw/zinc/66/09/87/632660987.db2.gz QFAJTHMPPJMGNS-YPMHNXCESA-N 0 1 277.339 2.917 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846276840 632681650 /nfs/dbraw/zinc/68/16/50/632681650.db2.gz XQEYMLRCDWARIE-CYBMUJFWSA-N 0 1 290.407 2.828 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846281397 632684317 /nfs/dbraw/zinc/68/43/17/632684317.db2.gz XKHCAFCYRUZGFH-MLGOLLRUSA-N 0 1 290.407 2.746 20 10 CFCDMN C[C@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944964 632747812 /nfs/dbraw/zinc/74/78/12/632747812.db2.gz QFSFTPURNLAFCO-YUMQZZPRSA-N 0 1 275.179 2.712 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972079 632771788 /nfs/dbraw/zinc/77/17/88/632771788.db2.gz JOIHRAJBKMLCIW-NKWVEPMBSA-N 0 1 263.168 2.697 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc2ccccc2c1[O-] ZINC000817976689 632774681 /nfs/dbraw/zinc/77/46/81/632774681.db2.gz RFLWRDQTKASLJR-XBFCOCLRSA-N 0 1 288.366 2.896 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1Cl ZINC000857061307 635921821 /nfs/dbraw/zinc/92/18/21/635921821.db2.gz OEAXXPJBHMXVDY-MFKMUULPSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1Cl ZINC000857061307 635921824 /nfs/dbraw/zinc/92/18/24/635921824.db2.gz OEAXXPJBHMXVDY-MFKMUULPSA-N 0 1 283.799 2.804 20 10 CFCDMN CCc1cccc(CN[C@@H](CCO)c2ccco2)c1O ZINC000848903336 633391188 /nfs/dbraw/zinc/39/11/88/633391188.db2.gz QAKVQTPIGXXTGO-AWEZNQCLSA-N 0 1 275.348 2.761 20 10 CFCDMN Oc1ccc(Cl)cc1CNCc1cc2n(n1)CCCC2 ZINC000848919561 633401902 /nfs/dbraw/zinc/40/19/02/633401902.db2.gz NIYQRGJFFQBYGN-UHFFFAOYSA-N 0 1 291.782 2.868 20 10 CFCDMN C[C@@H](O)C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000848928448 633411078 /nfs/dbraw/zinc/41/10/78/633411078.db2.gz DOTPRBRHSLRDAU-MRVPVSSYSA-N 0 1 273.735 2.530 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@@H](C)O)C2CC2)c(Cl)c1 ZINC000848928835 633412102 /nfs/dbraw/zinc/41/21/02/633412102.db2.gz OZLFHAYNHIQYLX-SNVBAGLBSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@@H](C)O)C2CC2)c(Cl)c1 ZINC000848928835 633412107 /nfs/dbraw/zinc/41/21/07/633412107.db2.gz OZLFHAYNHIQYLX-SNVBAGLBSA-N 0 1 269.772 2.699 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000850350369 633949361 /nfs/dbraw/zinc/94/93/61/633949361.db2.gz AVYTULFKBQMXBE-CQSZACIVSA-N 0 1 299.798 2.577 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CCC(O)CC2)c(Cl)c1 ZINC000850394820 633975913 /nfs/dbraw/zinc/97/59/13/633975913.db2.gz FIMTXHCKFJLHNI-UHFFFAOYSA-N 0 1 283.799 2.995 20 10 CFCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000850484742 634013394 /nfs/dbraw/zinc/01/33/94/634013394.db2.gz PPJIFZUAOBJUNX-FIXISWKDSA-N 0 1 299.798 2.748 20 10 CFCDMN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000850484894 634013589 /nfs/dbraw/zinc/01/35/89/634013589.db2.gz TXYNVZPLQNEWHY-ZIBATOQPSA-N 0 1 299.798 2.748 20 10 CFCDMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000850484893 634013631 /nfs/dbraw/zinc/01/36/31/634013631.db2.gz TXYNVZPLQNEWHY-UEKVPHQBSA-N 0 1 299.798 2.748 20 10 CFCDMN CC(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000858241336 636161687 /nfs/dbraw/zinc/16/16/87/636161687.db2.gz PJRKHBYKBHQTSX-CYBMUJFWSA-N 0 1 271.788 2.932 20 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/nfs/dbraw/zinc/14/41/94/779144194.db2.gz ILCCWFRZUFAVGU-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN O=C1CCN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1F ZINC001237617112 779144809 /nfs/dbraw/zinc/14/48/09/779144809.db2.gz KRNNCRGKPTTZKX-JTQLQIEISA-N 0 1 289.709 2.688 20 10 CFCDMN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001237622277 779146116 /nfs/dbraw/zinc/14/61/16/779146116.db2.gz PRPODTLCAOYCGQ-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237624503 779147370 /nfs/dbraw/zinc/14/73/70/779147370.db2.gz VNSHUYHHQYNXCG-GHMZBOCLSA-N 0 1 271.719 2.548 20 10 CFCDMN Cc1cc(O)c(CN2CCC2)cc1Br ZINC001237676124 779158924 /nfs/dbraw/zinc/15/89/24/779158924.db2.gz FYDRAQYWGCVYTE-UHFFFAOYSA-N 0 1 256.143 2.669 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237800106 779181731 /nfs/dbraw/zinc/18/17/31/779181731.db2.gz XEPZBWGYVDFLDX-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237813585 779185492 /nfs/dbraw/zinc/18/54/92/779185492.db2.gz MBJBSARIFXPFKF-CYBMUJFWSA-N 0 1 298.789 2.855 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)C[C@@H](C)O1 ZINC001237809211 779185749 /nfs/dbraw/zinc/18/57/49/779185749.db2.gz DLJNNISEGPATFY-RKDXNWHRSA-N 0 1 273.735 2.794 20 10 CFCDMN Cc1nc(C[N@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001237819538 779188082 /nfs/dbraw/zinc/18/80/82/779188082.db2.gz FUFZITLKZBUSJB-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN Cc1nc(CN2CCc3cccc(O)c3C2)ccc1F ZINC001237819538 779188084 /nfs/dbraw/zinc/18/80/84/779188084.db2.gz FUFZITLKZBUSJB-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN Oc1cc(Cl)c(F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237936363 779211481 /nfs/dbraw/zinc/21/14/81/779211481.db2.gz JARSPLRLMHXZOP-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237936363 779211483 /nfs/dbraw/zinc/21/14/83/779211483.db2.gz JARSPLRLMHXZOP-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001237936363 779211485 /nfs/dbraw/zinc/21/14/85/779211485.db2.gz JARSPLRLMHXZOP-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237940202 779211899 /nfs/dbraw/zinc/21/18/99/779211899.db2.gz IUXFHLOODCKWGI-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237940202 779211904 /nfs/dbraw/zinc/21/19/04/779211904.db2.gz IUXFHLOODCKWGI-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237940202 779211909 /nfs/dbraw/zinc/21/19/09/779211909.db2.gz IUXFHLOODCKWGI-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN CC[NH+](CC)CCN(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237947530 779214590 /nfs/dbraw/zinc/21/45/90/779214590.db2.gz QVMLWJIDPBPPRN-UHFFFAOYSA-N 0 1 288.794 2.958 20 10 CFCDMN Cc1cc(F)cc(CN2CC3(C2)C[C@@H](F)CS3)c1O ZINC001238070777 779246624 /nfs/dbraw/zinc/24/66/24/779246624.db2.gz PDJUWLGDTAFRIK-GFCCVEGCSA-N 0 1 285.359 2.869 20 10 CFCDMN CN1CCN(c2ccc(C3=CCSCC3)cc2)CC1 ZINC001236367325 779553899 /nfs/dbraw/zinc/55/38/99/779553899.db2.gz MCFXYEZBDDRXIS-UHFFFAOYSA-N 0 1 274.433 2.959 20 10 CFCDMN COC(C)(C)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703543195 781025517 /nfs/dbraw/zinc/02/55/17/781025517.db2.gz SGSOXVBFKQGWOQ-UHFFFAOYSA-N 0 1 259.296 2.527 20 10 CFCDMN CC(C)OCCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703608414 781038963 /nfs/dbraw/zinc/03/89/63/781038963.db2.gz FFXUOTIBXLXBGE-UHFFFAOYSA-N 0 1 273.323 2.917 20 10 CFCDMN CSCC[NH2+]Cc1c([O-])cccc1Br ZINC000706821780 781204000 /nfs/dbraw/zinc/20/40/00/781204000.db2.gz QRJIEYMIDWEUMY-UHFFFAOYSA-N 0 1 276.199 2.607 20 10 CFCDMN COC[C@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706883166 781212228 /nfs/dbraw/zinc/21/22/28/781212228.db2.gz HLSJWDRHVHOQTD-SECBINFHSA-N 0 1 288.185 2.527 20 10 CFCDMN CC[C@]1(C)COCCN1Cc1cc(F)cc(F)c1O ZINC000708382973 781271666 /nfs/dbraw/zinc/27/16/66/781271666.db2.gz IXZRHXYBUFWDFP-CQSZACIVSA-N 0 1 271.307 2.671 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1C ZINC000708413663 781273073 /nfs/dbraw/zinc/27/30/73/781273073.db2.gz MPSIQCXZRNABBI-NOZJJQNGSA-N 0 1 271.307 2.527 20 10 CFCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708414788 781273492 /nfs/dbraw/zinc/27/34/92/781273492.db2.gz SPCYTRKUJWBVTI-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414223 781274044 /nfs/dbraw/zinc/27/40/44/781274044.db2.gz PKUOOBTWVOFSDV-SKDRFNHKSA-N 0 1 271.307 2.670 20 10 CFCDMN Oc1ccccc1CN(Cc1ccno1)C[C@H]1CCCO1 ZINC000070976515 346918812 /nfs/dbraw/zinc/91/88/12/346918812.db2.gz IWKDNMQRULOGIS-CQSZACIVSA-N 0 1 288.347 2.561 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@@H](CC)C(=O)OC ZINC000174375225 283297104 /nfs/dbraw/zinc/29/71/04/283297104.db2.gz SYYOTUFCSFSAKD-ZDUSSCGKSA-N 0 1 265.353 2.556 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000294892490 283297116 /nfs/dbraw/zinc/29/71/16/283297116.db2.gz GKVPZNMFMFJGIS-AWEZNQCLSA-N 0 1 290.407 2.521 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCNC(=O)CC1 ZINC000294892490 283297118 /nfs/dbraw/zinc/29/71/18/283297118.db2.gz GKVPZNMFMFJGIS-AWEZNQCLSA-N 0 1 290.407 2.521 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(F)c(F)c1[O-] ZINC000377407383 296157273 /nfs/dbraw/zinc/15/72/73/296157273.db2.gz AEUXALAQVLTPHT-RKDXNWHRSA-N 0 1 293.317 2.602 20 10 CFCDMN CC[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000378714418 781961284 /nfs/dbraw/zinc/96/12/84/781961284.db2.gz XGRLNFRMGRSSMW-ZDUSSCGKSA-N 0 1 255.745 2.704 20 10 CFCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C1CC1 ZINC000113337434 376011403 /nfs/dbraw/zinc/01/14/03/376011403.db2.gz WQNWZRFJHBAOMG-JTQLQIEISA-N 0 1 268.788 2.618 20 10 CFCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124747367 377085829 /nfs/dbraw/zinc/08/58/29/377085829.db2.gz CKVWSNRWHXJGMX-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124747367 377085833 /nfs/dbraw/zinc/08/58/33/377085833.db2.gz CKVWSNRWHXJGMX-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)OC[C@@H]2CC)c1O ZINC000131512195 377723270 /nfs/dbraw/zinc/72/32/70/377723270.db2.gz ZSGJMSMLYUDURE-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132763231 377873510 /nfs/dbraw/zinc/87/35/10/377873510.db2.gz URMNONHYJZRUQU-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CCOCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132763231 377873514 /nfs/dbraw/zinc/87/35/14/377873514.db2.gz URMNONHYJZRUQU-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)O)c1cc(Br)ccc1[O-] ZINC000134920049 378064213 /nfs/dbraw/zinc/06/42/13/378064213.db2.gz SQCAJHMGVGMVKN-QMMMGPOBSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]1C[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163759806 378989840 /nfs/dbraw/zinc/98/98/40/378989840.db2.gz AVYSEONDUQSFRO-IUCAKERBSA-N 0 1 270.170 2.900 20 10 CFCDMN COC[C@@H](NCc1cc(C)ccc1O)c1ccco1 ZINC000177571882 380355405 /nfs/dbraw/zinc/35/54/05/380355405.db2.gz XKWIJOQBRIODTJ-CYBMUJFWSA-N 0 1 261.321 2.771 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H](COC)c2ccco2)c1 ZINC000177574427 380355507 /nfs/dbraw/zinc/35/55/07/380355507.db2.gz WZQREOSNSVEZFH-AWEZNQCLSA-N 0 1 291.347 2.861 20 10 CFCDMN Oc1ccccc1CN1CCO[C@H](c2ccco2)C1 ZINC000179583853 380560913 /nfs/dbraw/zinc/56/09/13/380560913.db2.gz OTIPIWQSAFCXGN-HNNXBMFYSA-N 0 1 259.305 2.559 20 10 CFCDMN Cc1ccc([C@H]2CN(Cc3ccccc3O)CCO2)o1 ZINC000179584297 380561532 /nfs/dbraw/zinc/56/15/32/380561532.db2.gz AELZJUOHVIAMNA-MRXNPFEDSA-N 0 1 273.332 2.867 20 10 CFCDMN CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180550631 380675837 /nfs/dbraw/zinc/67/58/37/380675837.db2.gz YZYGRXXXWQWFJF-GFCCVEGCSA-N 0 1 282.815 2.819 20 10 CFCDMN CC[N@H+](C)C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180550631 380675840 /nfs/dbraw/zinc/67/58/40/380675840.db2.gz YZYGRXXXWQWFJF-GFCCVEGCSA-N 0 1 282.815 2.819 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180419499 380655516 /nfs/dbraw/zinc/65/55/16/380655516.db2.gz ZKPBNBPADWCQMQ-NSHDSACASA-N 0 1 283.755 2.573 20 10 CFCDMN C[C@@H](O)c1ncc(CNCc2ccc(N(C)C)cc2)s1 ZINC000289279423 381031253 /nfs/dbraw/zinc/03/12/53/381031253.db2.gz OLWPCNJBNFKDGB-LLVKDONJSA-N 0 1 291.420 2.552 20 10 CFCDMN CC(=O)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000288804336 381020878 /nfs/dbraw/zinc/02/08/78/381020878.db2.gz HAJZBDIZLBPHRM-UHFFFAOYSA-N 0 1 288.372 2.559 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000183236661 381241018 /nfs/dbraw/zinc/24/10/18/381241018.db2.gz WKVPCEUCWDOSED-MRXNPFEDSA-N 0 1 284.407 2.727 20 10 CFCDMN COCc1nc(CN[C@@H]2CCc3cccc(O)c32)cs1 ZINC000297217580 381552726 /nfs/dbraw/zinc/55/27/26/381552726.db2.gz HBHXNFQZSZOFHH-GFCCVEGCSA-N 0 1 290.388 2.772 20 10 CFCDMN CCCC[N@@H+](CCc1cn[nH]c1)Cc1ccccc1O ZINC000297659106 381569652 /nfs/dbraw/zinc/56/96/52/381569652.db2.gz NSCRGJSIIUQTIU-UHFFFAOYSA-N 0 1 273.380 2.960 20 10 CFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000371875985 381715963 /nfs/dbraw/zinc/71/59/63/381715963.db2.gz IJRRZIFMIBCVCT-INIZCTEOSA-N 0 1 287.334 2.971 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000372980044 381902477 /nfs/dbraw/zinc/90/24/77/381902477.db2.gz MYWAFJJJIJDQAG-PSASIEDQSA-N 0 1 293.317 2.602 20 10 CFCDMN C[C@H]1[N@@H+](Cc2ccccc2O)CCC12CCOCC2 ZINC000375240465 382072909 /nfs/dbraw/zinc/07/29/09/382072909.db2.gz XIAUKKUOYITJNK-CYBMUJFWSA-N 0 1 261.365 2.783 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377237557 382238912 /nfs/dbraw/zinc/23/89/12/382238912.db2.gz IPKVLWITJBEQRC-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377237557 382238923 /nfs/dbraw/zinc/23/89/23/382238923.db2.gz IPKVLWITJBEQRC-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377237557 382238928 /nfs/dbraw/zinc/23/89/28/382238928.db2.gz IPKVLWITJBEQRC-NEPJUHHUSA-N 0 1 281.783 2.904 20 10 CFCDMN CCc1nocc1CN(C)Cc1cc(OC)ccc1O ZINC000293735883 382256364 /nfs/dbraw/zinc/25/63/64/382256364.db2.gz VGDZRDZLZKOLNI-UHFFFAOYSA-N 0 1 276.336 2.583 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377790030 382346216 /nfs/dbraw/zinc/34/62/16/382346216.db2.gz WDZHEIMATZVZQP-QMMMGPOBSA-N 0 1 295.745 2.555 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CF)c1[O-] ZINC000293837423 382299529 /nfs/dbraw/zinc/29/95/29/382299529.db2.gz AXBGMPLRGPBKLH-SNVBAGLBSA-N 0 1 288.706 2.888 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CF)c1[O-] ZINC000293837423 382299537 /nfs/dbraw/zinc/29/95/37/382299537.db2.gz AXBGMPLRGPBKLH-SNVBAGLBSA-N 0 1 288.706 2.888 20 10 CFCDMN Cc1cccc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000364670953 382351628 /nfs/dbraw/zinc/35/16/28/382351628.db2.gz GGFKONDPQDEFCK-HNNXBMFYSA-N 0 1 294.358 2.698 20 10 CFCDMN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000188131204 382352514 /nfs/dbraw/zinc/35/25/14/382352514.db2.gz ZRUUGYBINRMAFQ-IUCAKERBSA-N 0 1 288.185 2.840 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000365266761 382370533 /nfs/dbraw/zinc/37/05/33/382370533.db2.gz LMBDVRJOLKJHRV-ZWNOBZJWSA-N 0 1 298.789 2.711 20 10 CFCDMN COC[C@@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294130010 382427629 /nfs/dbraw/zinc/42/76/29/382427629.db2.gz FJWCZDKVSUQNEV-INIZCTEOSA-N 0 1 295.354 2.592 20 10 CFCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294130010 382427634 /nfs/dbraw/zinc/42/76/34/382427634.db2.gz FJWCZDKVSUQNEV-INIZCTEOSA-N 0 1 295.354 2.592 20 10 CFCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000294149807 382435038 /nfs/dbraw/zinc/43/50/38/382435038.db2.gz VHQGYOFJBQTNSC-INIZCTEOSA-N 0 1 281.371 2.762 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378446065 382462353 /nfs/dbraw/zinc/46/23/53/382462353.db2.gz XUULDRGZLPFFAO-LLVKDONJSA-N 0 1 292.770 2.543 20 10 CFCDMN C[N@@H+]1CC[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000378472365 382468234 /nfs/dbraw/zinc/46/82/34/382468234.db2.gz IMPCXJHQZOXQMZ-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000378472365 382468237 /nfs/dbraw/zinc/46/82/37/382468237.db2.gz IMPCXJHQZOXQMZ-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294933069 382545062 /nfs/dbraw/zinc/54/50/62/382545062.db2.gz OWOTUBLLDMZFNI-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000189110676 382545384 /nfs/dbraw/zinc/54/53/84/382545384.db2.gz HRAACRYOWLSNMX-DTWKUNHWSA-N 0 1 288.185 2.668 20 10 CFCDMN CC[C@H](c1ccccc1O)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000367306941 382563731 /nfs/dbraw/zinc/56/37/31/382563731.db2.gz BTEZHUVYAJGBDY-MRVWCRGKSA-N 0 1 277.364 2.584 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228174791 382845322 /nfs/dbraw/zinc/84/53/22/382845322.db2.gz RVBGKHPLQYXVPZ-CHWSQXEVSA-N 0 1 267.756 2.799 20 10 CFCDMN CNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000268339643 384608158 /nfs/dbraw/zinc/60/81/58/384608158.db2.gz VDTISHNUDSEOJG-CQSZACIVSA-N 0 1 298.386 2.701 20 10 CFCDMN c1[nH]nc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000268835404 384672805 /nfs/dbraw/zinc/67/28/05/384672805.db2.gz LOVJKGSWEJREGA-AWEZNQCLSA-N 0 1 269.348 2.512 20 10 CFCDMN CN(C)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1F ZINC000268883945 384684514 /nfs/dbraw/zinc/68/45/14/384684514.db2.gz YPWUBPYIMABVRI-AWEZNQCLSA-N 0 1 288.370 2.782 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000282180291 385238469 /nfs/dbraw/zinc/23/84/69/385238469.db2.gz FQEUMVUMHXUIRW-ZWNOBZJWSA-N 0 1 253.317 2.531 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000271008253 385300252 /nfs/dbraw/zinc/30/02/52/385300252.db2.gz OLHAOZOZCUCCNB-JTQLQIEISA-N 0 1 276.163 2.656 20 10 CFCDMN CCC1(O)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000271196808 385371787 /nfs/dbraw/zinc/37/17/87/385371787.db2.gz OEKBUGXGVZBHNA-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN CCOCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271390963 385381755 /nfs/dbraw/zinc/38/17/55/385381755.db2.gz TYUXMWVVZAKDSW-LBPRGKRZSA-N 0 1 299.798 2.673 20 10 CFCDMN CCOCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271390963 385381761 /nfs/dbraw/zinc/38/17/61/385381761.db2.gz TYUXMWVVZAKDSW-LBPRGKRZSA-N 0 1 299.798 2.673 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000273369998 385679547 /nfs/dbraw/zinc/67/95/47/385679547.db2.gz CEURULAONQJMJA-NXEZZACHSA-N 0 1 256.777 2.646 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000273511702 385686072 /nfs/dbraw/zinc/68/60/72/385686072.db2.gz RVOBUHNESQBWCV-GHMZBOCLSA-N 0 1 274.368 2.793 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C)c2nncn2C)c(O)c1C ZINC000273556369 385688116 /nfs/dbraw/zinc/68/81/16/385688116.db2.gz GZYQEVMXLNOOFS-VXGBXAGGSA-N 0 1 274.368 2.549 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCOCC12CCC2 ZINC000180321669 393480753 /nfs/dbraw/zinc/48/07/53/393480753.db2.gz PHQPXJBZBSEGDR-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOCC12CCC2 ZINC000180321669 393480757 /nfs/dbraw/zinc/48/07/57/393480757.db2.gz PHQPXJBZBSEGDR-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cncn2C)cc1F ZINC000109016039 393877939 /nfs/dbraw/zinc/87/79/39/393877939.db2.gz VTGLCHLOXUXLIZ-UHFFFAOYSA-N 0 1 290.386 2.695 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](C)CCc2ccccn2)c1 ZINC000120808490 393942013 /nfs/dbraw/zinc/94/20/13/393942013.db2.gz NFCSCEPJFJEXTQ-UHFFFAOYSA-N 0 1 286.375 2.860 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cnccn1 ZINC000122929911 393972931 /nfs/dbraw/zinc/97/29/31/393972931.db2.gz YDGAWTBWVNGJCY-ZDUSSCGKSA-N 0 1 282.391 2.710 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@H]21 ZINC000365238541 394230201 /nfs/dbraw/zinc/23/02/01/394230201.db2.gz AVTRSVHYDSXJCJ-ZWNOBZJWSA-N 0 1 298.789 2.711 20 10 CFCDMN CC(C)OC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000372117949 394306891 /nfs/dbraw/zinc/30/68/91/394306891.db2.gz YNMUDZWGMDRQKP-ZDUSSCGKSA-N 0 1 299.798 2.671 20 10 CFCDMN Cc1noc(C)c1CNCc1ccc(N(C)C)cc1 ZINC000020253336 171105824 /nfs/dbraw/zinc/10/58/24/171105824.db2.gz AIOFBRKMMDMRAF-UHFFFAOYSA-N 0 1 259.353 2.647 20 10 CFCDMN C[C@@H](NCc1ccccc1O)c1nnc2n1CCCCC2 ZINC000037140677 260069281 /nfs/dbraw/zinc/06/92/81/260069281.db2.gz HCWGVICJGDQPTB-GFCCVEGCSA-N 0 1 286.379 2.561 20 10 CFCDMN CC[C@H](NCc1ccc2c(c1)CCN2C)c1nccn1C ZINC000368733027 267200565 /nfs/dbraw/zinc/20/05/65/267200565.db2.gz WGXDTYWLGSOUSJ-HNNXBMFYSA-N 0 1 284.407 2.653 20 10 CFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185109877 278184829 /nfs/dbraw/zinc/18/48/29/278184829.db2.gz BAFVIEVEWCQECN-MNOVXSKESA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134904564 280149929 /nfs/dbraw/zinc/14/99/29/280149929.db2.gz UNGABEZKJLCEPH-WPRPVWTQSA-N 0 1 288.185 2.576 20 10 CFCDMN Cc1c2ccccc2n(C)c1CNCc1cncnc1 ZINC000355140041 280269623 /nfs/dbraw/zinc/26/96/23/280269623.db2.gz XGUGHOVEPVDPSK-UHFFFAOYSA-N 0 1 266.348 2.567 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC23CC(C2)CO3)c(Cl)c1 ZINC000527788514 330283454 /nfs/dbraw/zinc/28/34/54/330283454.db2.gz HYDXNTPVDUBIPL-UHFFFAOYSA-N 0 1 267.756 2.623 20 10 CFCDMN CCOCCOCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000191571268 519993617 /nfs/dbraw/zinc/99/36/17/519993617.db2.gz CDTLXTOWWIGRTR-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000184921793 519660445 /nfs/dbraw/zinc/66/04/45/519660445.db2.gz YUUCLDKTBLPDHJ-GFCCVEGCSA-N 0 1 286.375 2.722 20 10 CFCDMN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230664260 519793096 /nfs/dbraw/zinc/79/30/96/519793096.db2.gz IEWIADJPPPQZNV-GXFFZTMASA-N 0 1 255.333 2.589 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@](C)(CC)C2)c1 ZINC000191153877 521148838 /nfs/dbraw/zinc/14/88/38/521148838.db2.gz ZBANSHXRXPBGRP-INIZCTEOSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOC(CC[NH2+]Cc1c([O-])cccc1Cl)OCC ZINC000276286086 521628340 /nfs/dbraw/zinc/62/83/40/521628340.db2.gz YSOYZZDGGRJMMD-UHFFFAOYSA-N 0 1 287.787 2.924 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278328286 521871673 /nfs/dbraw/zinc/87/16/73/521871673.db2.gz ZALAHAZIMPDSOT-GFCCVEGCSA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278314568 521875833 /nfs/dbraw/zinc/87/58/33/521875833.db2.gz XEWNXYYKNISYIV-PHIMTYICSA-N 0 1 294.351 2.787 20 10 CFCDMN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094949597 522145960 /nfs/dbraw/zinc/14/59/60/522145960.db2.gz WJTFPQAXNSNBEO-GHMZBOCLSA-N 0 1 255.333 2.591 20 10 CFCDMN CCc1nc(CN(c2ccc(OC)c(F)c2)C(C)C)n[nH]1 ZINC000159105297 522294874 /nfs/dbraw/zinc/29/48/74/522294874.db2.gz HEVCERRQCKDZKN-UHFFFAOYSA-N 0 1 292.358 2.930 20 10 CFCDMN CC[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000293272363 522822871 /nfs/dbraw/zinc/82/28/71/522822871.db2.gz CLFSRAWQASQCOU-SCZZXKLOSA-N 0 1 288.185 2.576 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281667367 523684627 /nfs/dbraw/zinc/68/46/27/523684627.db2.gz LGLHGDPSIDKNOM-IINYFYTJSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281667367 523684634 /nfs/dbraw/zinc/68/46/34/523684634.db2.gz LGLHGDPSIDKNOM-IINYFYTJSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281667367 523684639 /nfs/dbraw/zinc/68/46/39/523684639.db2.gz LGLHGDPSIDKNOM-IINYFYTJSA-N 0 1 295.354 2.733 20 10 CFCDMN COc1ccc(N(Cc2n[nH]c(C)n2)C(C)C)cc1F ZINC000293125928 524371068 /nfs/dbraw/zinc/37/10/68/524371068.db2.gz KVFCPTVTLVXKOU-UHFFFAOYSA-N 0 1 278.331 2.676 20 10 CFCDMN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN(C)C ZINC000291817737 524741239 /nfs/dbraw/zinc/74/12/39/524741239.db2.gz YVNXIHZTYPTTHQ-VIFPVBQESA-N 0 1 291.222 2.986 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C2CC2)O1 ZINC000280105678 524987824 /nfs/dbraw/zinc/98/78/24/524987824.db2.gz AZOLCVUHYHSWTH-MEBBXXQBSA-N 0 1 265.328 2.531 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000280603030 525003847 /nfs/dbraw/zinc/00/38/47/525003847.db2.gz OEEKQAUJONEOHK-YGRLFVJLSA-N 0 1 265.328 2.531 20 10 CFCDMN C[C@@H]([NH2+]CCCCO)c1ccc(Br)cc1[O-] ZINC000194212328 525435499 /nfs/dbraw/zinc/43/54/99/525435499.db2.gz LPRDXKMDDDISKR-SECBINFHSA-N 0 1 288.185 2.578 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000192748349 525553406 /nfs/dbraw/zinc/55/34/06/525553406.db2.gz JYEZOBRBNVJBRL-BLLLJJGKSA-N 0 1 298.386 2.865 20 10 CFCDMN COc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228156114 525948378 /nfs/dbraw/zinc/94/83/78/525948378.db2.gz WRTSGAQEHRTDST-KGLIPLIRSA-N 0 1 277.364 2.544 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC(O)(c2ccccc2)C1 ZINC000291668609 526326417 /nfs/dbraw/zinc/32/64/17/526326417.db2.gz WBLSAYMSBCBVJD-UHFFFAOYSA-N 0 1 289.762 2.749 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCSCC1 ZINC000272859160 526327165 /nfs/dbraw/zinc/32/71/65/526327165.db2.gz UMFWGAYKUQFXNS-UHFFFAOYSA-N 0 1 257.786 2.985 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000166373786 526329470 /nfs/dbraw/zinc/32/94/70/526329470.db2.gz VEKGTCJQIMZHHK-UHFFFAOYSA-N 0 1 278.371 2.592 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000160222402 526329839 /nfs/dbraw/zinc/32/98/39/526329839.db2.gz JTAKNAGFTQEZMZ-UONOGXRCSA-N 0 1 265.328 2.675 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365158563 526346140 /nfs/dbraw/zinc/34/61/40/526346140.db2.gz SCKSZLPRNWBFSU-GHMZBOCLSA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365158563 526346146 /nfs/dbraw/zinc/34/61/46/526346146.db2.gz SCKSZLPRNWBFSU-GHMZBOCLSA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230313736 526347546 /nfs/dbraw/zinc/34/75/46/526347546.db2.gz LLHZYUQADFPBSK-TZMCWYRMSA-N 0 1 267.756 2.703 20 10 CFCDMN c1ccc2c(c1)OC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000070070126 526510907 /nfs/dbraw/zinc/51/09/07/526510907.db2.gz NMLYRKNMLBLUES-HNNXBMFYSA-N 0 1 267.328 2.845 20 10 CFCDMN Cc1ncc(CNCc2ccc3c(c2)CCO3)s1 ZINC000040997846 527273618 /nfs/dbraw/zinc/27/36/18/527273618.db2.gz OREYZVLDMMLANZ-UHFFFAOYSA-N 0 1 260.362 2.676 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCSC1 ZINC000755792992 574187657 /nfs/dbraw/zinc/18/76/57/574187657.db2.gz KGBQUMUZLJQPMH-GFCCVEGCSA-N 0 1 274.389 2.878 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCSC1 ZINC000755792992 574187658 /nfs/dbraw/zinc/18/76/58/574187658.db2.gz KGBQUMUZLJQPMH-GFCCVEGCSA-N 0 1 274.389 2.878 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(F)n1 ZINC000747934502 574221076 /nfs/dbraw/zinc/22/10/76/574221076.db2.gz FLISKFYCMADXTD-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN C[C@@H](NCc1cc[nH]n1)c1cc(Cl)ccc1O ZINC000756558042 574247644 /nfs/dbraw/zinc/24/76/44/574247644.db2.gz ZAPQUZVVPMGREN-MRVPVSSYSA-N 0 1 251.717 2.620 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000756584300 574250461 /nfs/dbraw/zinc/25/04/61/574250461.db2.gz SCSNGGQOURLRNW-AAEUAGOBSA-N 0 1 299.798 2.892 20 10 CFCDMN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756734232 574259858 /nfs/dbraw/zinc/25/98/58/574259858.db2.gz UZCTWXMFAOHUII-QWRGUYRKSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)c2c1c(F)ccc2[O-] ZINC000756760894 574261326 /nfs/dbraw/zinc/26/13/26/574261326.db2.gz RRUIHJFIWZGCQC-MWLCHTKSSA-N 0 1 267.344 2.688 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756883111 574270630 /nfs/dbraw/zinc/27/06/30/574270630.db2.gz UKTCBUKHXHRUEH-PBHICJAKSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756883111 574270632 /nfs/dbraw/zinc/27/06/32/574270632.db2.gz UKTCBUKHXHRUEH-PBHICJAKSA-N 0 1 298.386 2.941 20 10 CFCDMN C[C@@H]1CCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000742386383 574327444 /nfs/dbraw/zinc/32/74/44/574327444.db2.gz COROSPRISPWOPB-LLVKDONJSA-N 0 1 268.788 2.620 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743404733 574363104 /nfs/dbraw/zinc/36/31/04/574363104.db2.gz AJIUCBAZSWJHPU-UHFFFAOYSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743404733 574363106 /nfs/dbraw/zinc/36/31/06/574363106.db2.gz AJIUCBAZSWJHPU-UHFFFAOYSA-N 0 1 298.386 2.943 20 10 CFCDMN COC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751947986 574385512 /nfs/dbraw/zinc/38/55/12/574385512.db2.gz WNXRBPVYFAAUCE-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN COC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751947986 574385513 /nfs/dbraw/zinc/38/55/13/574385513.db2.gz WNXRBPVYFAAUCE-CYBMUJFWSA-N 0 1 272.348 2.551 20 10 CFCDMN CCOC(=O)[C@@H](CC1CC1)NCc1cccc(Cl)c1O ZINC000753568581 574404836 /nfs/dbraw/zinc/40/48/36/574404836.db2.gz LGKBNWMBARWWSJ-CYBMUJFWSA-N 0 1 297.782 2.867 20 10 CFCDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000086777721 600142397 /nfs/dbraw/zinc/14/23/97/600142397.db2.gz JZMHQMMINNEHGL-UHFFFAOYSA-N 0 1 271.744 2.588 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000737069324 600943724 /nfs/dbraw/zinc/94/37/24/600943724.db2.gz RNKNZLNAZUBNQR-OAHLLOKOSA-N 0 1 276.380 2.582 20 10 CFCDMN COc1ccc(O)c(C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833733241 605241945 /nfs/dbraw/zinc/24/19/45/605241945.db2.gz DXMOPYSWSOOMPZ-UHFFFAOYSA-N 0 1 299.326 2.615 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833733241 605241947 /nfs/dbraw/zinc/24/19/47/605241947.db2.gz DXMOPYSWSOOMPZ-UHFFFAOYSA-N 0 1 299.326 2.615 20 10 CFCDMN C[N@@H+](Cc1cc(F)ccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694099 605482630 /nfs/dbraw/zinc/48/26/30/605482630.db2.gz KDRCNDLWKPKGHF-HNNXBMFYSA-N 0 1 289.306 2.789 20 10 CFCDMN CC[C@@H]1COCCN1Cc1cc2c(cc1O)CCCC2 ZINC000160232880 617630612 /nfs/dbraw/zinc/63/06/12/617630612.db2.gz VCQAVUJOEHGOHG-MRXNPFEDSA-N 0 1 275.392 2.882 20 10 CFCDMN CCSCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000308842362 617905159 /nfs/dbraw/zinc/90/51/59/617905159.db2.gz YRKWXZSASFZZJJ-UHFFFAOYSA-N 0 1 290.226 2.997 20 10 CFCDMN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000050369865 618117034 /nfs/dbraw/zinc/11/70/34/618117034.db2.gz PIRXDYVHAHGGSY-DGCLKSJQSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H](O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893193 618125608 /nfs/dbraw/zinc/12/56/08/618125608.db2.gz UQZLYHXZZLNRND-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780893193 618125610 /nfs/dbraw/zinc/12/56/10/618125610.db2.gz UQZLYHXZZLNRND-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000894086084 618307464 /nfs/dbraw/zinc/30/74/64/618307464.db2.gz APQWAXWPUHNCJZ-GFCCVEGCSA-N 0 1 297.345 2.919 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000775729709 618369385 /nfs/dbraw/zinc/36/93/85/618369385.db2.gz WPEKORNGVKEYQF-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN C[C@@H]1CCSCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877473952 618391246 /nfs/dbraw/zinc/39/12/46/618391246.db2.gz OKHARERUTGIBDD-SECBINFHSA-N 0 1 273.348 2.998 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(Cl)c1 ZINC000840906882 618412572 /nfs/dbraw/zinc/41/25/72/618412572.db2.gz JSPFESVSOPEXMM-LLVKDONJSA-N 0 1 297.704 2.757 20 10 CFCDMN CCOc1ccc(CNc2nccn2CC)c(O)c1 ZINC000840886718 618681933 /nfs/dbraw/zinc/68/19/33/618681933.db2.gz NVFCVSVGZZRRKY-UHFFFAOYSA-N 0 1 261.325 2.619 20 10 CFCDMN COC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093337680 619010558 /nfs/dbraw/zinc/01/05/58/619010558.db2.gz NXHOPUDDNCAKST-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093337680 619010559 /nfs/dbraw/zinc/01/05/59/619010559.db2.gz NXHOPUDDNCAKST-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978050 619207227 /nfs/dbraw/zinc/20/72/27/619207227.db2.gz KZMURXFESCAXBV-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980302 619209730 /nfs/dbraw/zinc/20/97/30/619209730.db2.gz WVYKLYBWOXOCCT-PWSUYJOCSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1n[nH]c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000893863335 619230522 /nfs/dbraw/zinc/23/05/22/619230522.db2.gz GCWDYTNAJGCXQZ-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN Cc1n[nH]c(CN(C)Cc2ccc(N(C)C)cc2)c1C ZINC000893863335 619230523 /nfs/dbraw/zinc/23/05/23/619230523.db2.gz GCWDYTNAJGCXQZ-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN Cc1[nH]nc(CN(C)Cc2ccc(N(C)C)cc2)c1C ZINC000893863335 619230527 /nfs/dbraw/zinc/23/05/27/619230527.db2.gz GCWDYTNAJGCXQZ-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)cc(OC)c1O ZINC000893898757 619236889 /nfs/dbraw/zinc/23/68/89/619236889.db2.gz ZICFZBSMPYIERO-JSGCOSHPSA-N 0 1 279.380 2.709 20 10 CFCDMN C[NH+](C)Cc1ccnc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000894424156 619380998 /nfs/dbraw/zinc/38/09/98/619380998.db2.gz BSEULPFMMSEHPN-UHFFFAOYSA-N 0 1 293.317 2.739 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000894434356 619384375 /nfs/dbraw/zinc/38/43/75/619384375.db2.gz RFYUZWWRLZSXJM-JTQLQIEISA-N 0 1 293.260 2.874 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)[C@H](C)O1 ZINC000894535493 619412605 /nfs/dbraw/zinc/41/26/05/619412605.db2.gz UNBXRLCDVFNWPF-UTLUCORTSA-N 0 1 271.307 2.668 20 10 CFCDMN CS[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894880931 619495468 /nfs/dbraw/zinc/49/54/68/619495468.db2.gz QGQYPHJNBLBMLH-SNVBAGLBSA-N 0 1 259.321 2.608 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894880929 619495657 /nfs/dbraw/zinc/49/56/57/619495657.db2.gz QGQYPHJNBLBMLH-JTQLQIEISA-N 0 1 259.321 2.608 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000894986399 619523221 /nfs/dbraw/zinc/52/32/21/619523221.db2.gz MJBILLFXOZZEFR-CQSZACIVSA-N 0 1 283.318 2.671 20 10 CFCDMN CN1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000896311703 619716169 /nfs/dbraw/zinc/71/61/69/619716169.db2.gz WIPUSCUZGSZQLL-ZDUSSCGKSA-N 0 1 298.386 2.503 20 10 CFCDMN Cc1cccc(CNCc2cc(C3CC3)n(C)n2)c1O ZINC000897231397 619955213 /nfs/dbraw/zinc/95/52/13/619955213.db2.gz DNHISXYPIKCPKE-UHFFFAOYSA-N 0 1 271.364 2.601 20 10 CFCDMN CCCCC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079435653 620017962 /nfs/dbraw/zinc/01/79/62/620017962.db2.gz BHQNRZITPZGNLH-UHFFFAOYSA-N 0 1 297.370 2.718 20 10 CFCDMN CCCCC[N@@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079435653 620017964 /nfs/dbraw/zinc/01/79/64/620017964.db2.gz BHQNRZITPZGNLH-UHFFFAOYSA-N 0 1 297.370 2.718 20 10 CFCDMN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841753776 620236720 /nfs/dbraw/zinc/23/67/20/620236720.db2.gz WBSPDOJHDYUFFR-YYSFKGJASA-N 0 1 287.812 2.607 20 10 CFCDMN C[N@H+]1C[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@]2(C)C1 ZINC000897621450 620260476 /nfs/dbraw/zinc/26/04/76/620260476.db2.gz BPAREJICTJCGMD-ABAIWWIYSA-N 0 1 298.789 2.568 20 10 CFCDMN CC[C@](C)(C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000322523889 620384795 /nfs/dbraw/zinc/38/47/95/620384795.db2.gz MZGNZUXOGXAORY-CYBMUJFWSA-N 0 1 257.761 2.950 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000926945085 620429288 /nfs/dbraw/zinc/42/92/88/620429288.db2.gz SWWPXEMGJSTKAR-NOBRSGAKSA-N 0 1 297.782 2.500 20 10 CFCDMN CO[C@@H]1CC[C@H]1[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639222 621140710 /nfs/dbraw/zinc/14/07/10/621140710.db2.gz PBZBCGRLGDYNPY-GDBMZVCRSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639222 621140713 /nfs/dbraw/zinc/14/07/13/621140713.db2.gz PBZBCGRLGDYNPY-GDBMZVCRSA-N 0 1 272.348 2.550 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](c2nncn2C)C(C)C)c(O)c1 ZINC000903064532 621238073 /nfs/dbraw/zinc/23/80/73/621238073.db2.gz NJQBVZISTTXUMR-IUODEOHRSA-N 0 1 288.395 2.877 20 10 CFCDMN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000903297212 621313238 /nfs/dbraw/zinc/31/32/38/621313238.db2.gz SAERHWVPOVFQHB-GAJTVXKRSA-N 0 1 285.771 2.500 20 10 CFCDMN COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000903339617 621334796 /nfs/dbraw/zinc/33/47/96/621334796.db2.gz ZTEBAEVPOUVKLW-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN COc1nn(C)cc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000903339617 621334798 /nfs/dbraw/zinc/33/47/98/621334798.db2.gz ZTEBAEVPOUVKLW-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN Nc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1[O-])CCO2 ZINC000903945734 621483442 /nfs/dbraw/zinc/48/34/42/621483442.db2.gz XRCSKJDXSQFJRR-UHFFFAOYSA-N 0 1 288.322 2.508 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cncs1 ZINC000164724046 622965760 /nfs/dbraw/zinc/96/57/60/622965760.db2.gz OVCDVEGANICJHJ-UHFFFAOYSA-N 0 1 254.742 2.792 20 10 CFCDMN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230153203 623255829 /nfs/dbraw/zinc/25/58/29/623255829.db2.gz JOKNVXNVOHEZOE-ZANVPECISA-N 0 1 255.745 2.703 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cnccn2)c1 ZINC000184724242 625641850 /nfs/dbraw/zinc/64/18/50/625641850.db2.gz JCTIDAMKJBFJQZ-GHMZBOCLSA-N 0 1 273.336 2.603 20 10 CFCDMN CCN(Cc1cnc(C)n1C)Cc1ccc(N(C)C)cc1 ZINC000824484667 623512493 /nfs/dbraw/zinc/51/24/93/623512493.db2.gz PUMMVJPNFJPHDS-UHFFFAOYSA-N 0 1 286.423 2.817 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CCO)C(C)C)cc1Cl ZINC000824522518 623515534 /nfs/dbraw/zinc/51/55/34/623515534.db2.gz QHMFLYRHZUXPLQ-UHFFFAOYSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CCO)C(C)C)cc1Cl ZINC000824522518 623515538 /nfs/dbraw/zinc/51/55/38/623515538.db2.gz QHMFLYRHZUXPLQ-UHFFFAOYSA-N 0 1 257.761 2.557 20 10 CFCDMN Oc1c(Br)cccc1CNC(CF)CF ZINC000824554451 623522739 /nfs/dbraw/zinc/52/27/39/623522739.db2.gz GQDOYWBZWPPYQE-UHFFFAOYSA-N 0 1 280.112 2.552 20 10 CFCDMN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824596283 623530222 /nfs/dbraw/zinc/53/02/22/623530222.db2.gz DNRQOIJMTBKVBI-JTQLQIEISA-N 0 1 285.771 2.595 20 10 CFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824596283 623530226 /nfs/dbraw/zinc/53/02/26/623530226.db2.gz DNRQOIJMTBKVBI-JTQLQIEISA-N 0 1 285.771 2.595 20 10 CFCDMN CS[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000824683392 623544634 /nfs/dbraw/zinc/54/46/34/623544634.db2.gz HIOWZHXCFKFGAS-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN CS[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000824683392 623544637 /nfs/dbraw/zinc/54/46/37/623544637.db2.gz HIOWZHXCFKFGAS-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000824815568 623570831 /nfs/dbraw/zinc/57/08/31/623570831.db2.gz TYTXBSHQDFHTAH-GWCFXTLKSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCOC[C@@H]2C)cc1Cl ZINC000824837496 623575223 /nfs/dbraw/zinc/57/52/23/623575223.db2.gz WZRRFSOGWBIVHP-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCOC[C@@H]2C)cc1Cl ZINC000824837496 623575227 /nfs/dbraw/zinc/57/52/27/623575227.db2.gz WZRRFSOGWBIVHP-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824847248 623577177 /nfs/dbraw/zinc/57/71/77/623577177.db2.gz XKAFAMAURGOSRY-HOCLYGCPSA-N 0 1 295.810 2.932 20 10 CFCDMN Cc1cccc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016302 623606471 /nfs/dbraw/zinc/60/64/71/623606471.db2.gz AHLXQWKNYZALML-DGCLKSJQSA-N 0 1 257.337 2.693 20 10 CFCDMN CCOc1ccc(O)c(CN[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825016600 623606538 /nfs/dbraw/zinc/60/65/38/623606538.db2.gz FSNOBSNURPGPKJ-RISCZKNCSA-N 0 1 287.363 2.783 20 10 CFCDMN Cc1ccc(O)c(CN[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017173 623608539 /nfs/dbraw/zinc/60/85/39/623608539.db2.gz NKOZSKOMAYEBTO-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1ccc(O)c(CNCc2cnc(C3CC3)o2)c1 ZINC000825172527 623643862 /nfs/dbraw/zinc/64/38/62/623643862.db2.gz VKTDWYMCBHFREI-UHFFFAOYSA-N 0 1 258.321 2.856 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C2CC2)cc1Cl ZINC000825258764 623660753 /nfs/dbraw/zinc/66/07/53/623660753.db2.gz FBUYYWPWBNSVQD-AWEZNQCLSA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825358044 623680051 /nfs/dbraw/zinc/68/00/51/623680051.db2.gz MZJMYNDGVDNQIN-LLVKDONJSA-N 0 1 271.788 2.852 20 10 CFCDMN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825421949 623690529 /nfs/dbraw/zinc/69/05/29/623690529.db2.gz IWAMENOIDAFUNA-GHMZBOCLSA-N 0 1 298.814 2.747 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000825450548 623696170 /nfs/dbraw/zinc/69/61/70/623696170.db2.gz ICSAHAZSQHROEX-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000825450548 623696184 /nfs/dbraw/zinc/69/61/84/623696184.db2.gz ICSAHAZSQHROEX-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000825450548 623696190 /nfs/dbraw/zinc/69/61/90/623696190.db2.gz ICSAHAZSQHROEX-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@H]1OC ZINC000825513266 623706720 /nfs/dbraw/zinc/70/67/20/623706720.db2.gz GBDNBIAEAZSJOQ-NWANDNLSSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1Cl ZINC000825561845 623715994 /nfs/dbraw/zinc/71/59/94/623715994.db2.gz HSYUQFBKNQICCO-CHWSQXEVSA-N 0 1 269.772 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)cc1Cl ZINC000825568000 623717617 /nfs/dbraw/zinc/71/76/17/623717617.db2.gz QFLSVIBWXZRKDI-FZMZJTMJSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1Cl ZINC000825629020 623726241 /nfs/dbraw/zinc/72/62/41/623726241.db2.gz PJBZJRRLBRQLMI-AWEZNQCLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1Cl ZINC000825629020 623726246 /nfs/dbraw/zinc/72/62/46/623726246.db2.gz PJBZJRRLBRQLMI-AWEZNQCLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1Cl ZINC000825635067 623728740 /nfs/dbraw/zinc/72/87/40/623728740.db2.gz VFGSQFDOVDZTDD-NOZJJQNGSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1Cl ZINC000825635067 623728746 /nfs/dbraw/zinc/72/87/46/623728746.db2.gz VFGSQFDOVDZTDD-NOZJJQNGSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1Cl ZINC000825955576 623775367 /nfs/dbraw/zinc/77/53/67/623775367.db2.gz OTTYQKWNKKOXLY-CYBMUJFWSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1Cl ZINC000825955576 623775370 /nfs/dbraw/zinc/77/53/70/623775370.db2.gz OTTYQKWNKKOXLY-CYBMUJFWSA-N 0 1 291.782 2.998 20 10 CFCDMN CCNC(=O)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000826012515 623781558 /nfs/dbraw/zinc/78/15/58/623781558.db2.gz OSKJGFQHSMAEEN-AWEZNQCLSA-N 0 1 298.814 2.604 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCc2nccnc2C)cc1Cl ZINC000826017098 623782802 /nfs/dbraw/zinc/78/28/02/623782802.db2.gz NZWRSDCFLBPMGT-UHFFFAOYSA-N 0 1 291.782 2.785 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC000826017158 623782987 /nfs/dbraw/zinc/78/29/87/623782987.db2.gz OWDMGFZKXRNBFZ-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC000826017158 623782989 /nfs/dbraw/zinc/78/29/89/623782989.db2.gz 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C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@]1(C)CO ZINC000827693171 624066037 /nfs/dbraw/zinc/06/60/37/624066037.db2.gz ZGCYEOYCBCAXDK-UGSOOPFHSA-N 0 1 285.387 2.996 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000827715945 624074611 /nfs/dbraw/zinc/07/46/11/624074611.db2.gz RHEHOLUVRSICAN-OLZOCXBDSA-N 0 1 255.745 2.621 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1(CO)CCC1 ZINC000827903650 624124429 /nfs/dbraw/zinc/12/44/29/624124429.db2.gz MZIOVOLNCSQBJJ-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(O)c1O ZINC000154636767 624414777 /nfs/dbraw/zinc/41/47/77/624414777.db2.gz ZVEZCGDPMTUVJO-UHFFFAOYSA-N 0 1 270.288 2.958 20 10 CFCDMN CN(C)c1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000830213308 624673827 /nfs/dbraw/zinc/67/38/27/624673827.db2.gz BAZXEHAVIFMDGL-KRWDZBQOSA-N 0 1 274.408 2.754 20 10 CFCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000831334438 624991293 /nfs/dbraw/zinc/99/12/93/624991293.db2.gz WDGBUEIRWFMWIF-ZIAGYGMSSA-N 0 1 295.354 2.637 20 10 CFCDMN Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1F ZINC000180520254 625028495 /nfs/dbraw/zinc/02/84/95/625028495.db2.gz LPWPLILKKCMLSY-UHFFFAOYSA-N 0 1 295.335 2.949 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(F)ccc1[O-] ZINC000185736814 625769701 /nfs/dbraw/zinc/76/97/01/625769701.db2.gz WLZYZAYQOWRMIV-WZRBSPASSA-N 0 1 267.344 2.733 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](C)O ZINC000834889003 625910284 /nfs/dbraw/zinc/91/02/84/625910284.db2.gz SYKYGPXAKPJDFK-AUTRQRHGSA-N 0 1 257.761 2.856 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cc(Cl)ccc1[O-] ZINC000834888755 625910617 /nfs/dbraw/zinc/91/06/17/625910617.db2.gz BWUVKTMIGILWAN-YPMHNXCESA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(F)cc(F)c1[O-] ZINC000834891961 625911845 /nfs/dbraw/zinc/91/18/45/625911845.db2.gz KPNOXIJIQPVYTB-SMHCIBLRSA-N 0 1 296.361 2.946 20 10 CFCDMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1O ZINC000834893894 625912236 /nfs/dbraw/zinc/91/22/36/625912236.db2.gz IDSFAXOXIZWAQL-NTZNESFSSA-N 0 1 257.337 2.945 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000834907013 625919423 /nfs/dbraw/zinc/91/94/23/625919423.db2.gz JVXQEIAOTDAVJY-UFGOTCBOSA-N 0 1 296.798 2.740 20 10 CFCDMN C[C@H](NCc1nc(Br)c[nH]1)c1ccccc1O ZINC000922331972 626272314 /nfs/dbraw/zinc/27/23/14/626272314.db2.gz HCMLIXWKMQURCZ-QMMMGPOBSA-N 0 1 296.168 2.729 20 10 CFCDMN CCn1cnnc1NCc1cc(Cl)cc(Cl)c1O ZINC000922660746 626336839 /nfs/dbraw/zinc/33/68/39/626336839.db2.gz TYKXHURVCHQYBB-UHFFFAOYSA-N 0 1 287.150 2.923 20 10 CFCDMN Cc1cc(NS(=O)(=O)c2c(C)cccc2F)ccc1O ZINC000187030926 626419641 /nfs/dbraw/zinc/41/96/41/626419641.db2.gz BEYHPPKDHGVOOM-UHFFFAOYSA-N 0 1 295.335 2.949 20 10 CFCDMN CCc1onc(C)c1CNCc1c(O)cccc1OC ZINC000922987689 626439628 /nfs/dbraw/zinc/43/96/28/626439628.db2.gz HWDJMESWCDCXPS-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000840816507 626513726 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257.333 2.502 20 10 CFCDMN CCC[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816482042 632468580 /nfs/dbraw/zinc/46/85/80/632468580.db2.gz SIPXARIOAMCMKC-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN CCC[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816482042 632468584 /nfs/dbraw/zinc/46/85/84/632468584.db2.gz SIPXARIOAMCMKC-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN CC(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483208 632468966 /nfs/dbraw/zinc/46/89/66/632468966.db2.gz JWIQRMHRHUJJRL-UHFFFAOYSA-N 0 1 298.386 2.600 20 10 CFCDMN CC(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483208 632468968 /nfs/dbraw/zinc/46/89/68/632468968.db2.gz JWIQRMHRHUJJRL-UHFFFAOYSA-N 0 1 298.386 2.600 20 10 CFCDMN CC[N@H+](CCC(=O)OC)Cc1ccc2ccccc2c1[O-] ZINC000816495483 632471182 /nfs/dbraw/zinc/47/11/82/632471182.db2.gz XRLPDDNNQKIEBY-UHFFFAOYSA-N 0 1 287.359 2.930 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1ccc2ccccc2c1[O-] ZINC000816495483 632471186 /nfs/dbraw/zinc/47/11/86/632471186.db2.gz XRLPDDNNQKIEBY-UHFFFAOYSA-N 0 1 287.359 2.930 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816521128 632478266 /nfs/dbraw/zinc/47/82/66/632478266.db2.gz HTZFLGJDAWEFRU-MLGOLLRUSA-N 0 1 271.360 2.748 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816521128 632478267 /nfs/dbraw/zinc/47/82/67/632478267.db2.gz HTZFLGJDAWEFRU-MLGOLLRUSA-N 0 1 271.360 2.748 20 10 CFCDMN CC(C)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816550019 632481836 /nfs/dbraw/zinc/48/18/36/632481836.db2.gz FXPRDUBITXJTSJ-HNNXBMFYSA-N 0 1 259.349 2.652 20 10 CFCDMN C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816556480 632483906 /nfs/dbraw/zinc/48/39/06/632483906.db2.gz KLAWSXLJWCQZIP-MPBGBICISA-N 0 1 291.416 2.792 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000816574729 632487479 /nfs/dbraw/zinc/48/74/79/632487479.db2.gz PZGZOVYISDSCCG-SNVBAGLBSA-N 0 1 273.735 2.532 20 10 CFCDMN COCCOCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816613491 632494406 /nfs/dbraw/zinc/49/44/06/632494406.db2.gz WKFYWBRLIYFLPD-UHFFFAOYSA-N 0 1 289.375 2.640 20 10 CFCDMN COCCOCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816613491 632494410 /nfs/dbraw/zinc/49/44/10/632494410.db2.gz WKFYWBRLIYFLPD-UHFFFAOYSA-N 0 1 289.375 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630442 632497214 /nfs/dbraw/zinc/49/72/14/632497214.db2.gz DTFUMKIEEXKOMG-AWEZNQCLSA-N 0 1 281.783 2.925 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630442 632497220 /nfs/dbraw/zinc/49/72/20/632497220.db2.gz DTFUMKIEEXKOMG-AWEZNQCLSA-N 0 1 281.783 2.925 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816665391 632508373 /nfs/dbraw/zinc/50/83/73/632508373.db2.gz FQMIAAGLFOPGSX-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cc(F)ncc2F)c1 ZINC000845972664 632606916 /nfs/dbraw/zinc/60/69/16/632606916.db2.gz SIKNHJMASIUBRT-SECBINFHSA-N 0 1 294.301 2.925 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2c(Cl)cnn2C)c1 ZINC000845972267 632607151 /nfs/dbraw/zinc/60/71/51/632607151.db2.gz QDJLFBPSOUWYDH-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN Cn1ncc(CNCc2cc(Cl)ccc2O)c1Cl ZINC000846054456 632625269 /nfs/dbraw/zinc/62/52/69/632625269.db2.gz BKHAOHRPRPGHEG-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN Cn1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1Cl ZINC000846054456 632625272 /nfs/dbraw/zinc/62/52/72/632625272.db2.gz BKHAOHRPRPGHEG-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN C[C@@H](CO)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000846056828 632625434 /nfs/dbraw/zinc/62/54/34/632625434.db2.gz BCTNNBIWMJWNCM-NSHDSACASA-N 0 1 283.799 2.886 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCC1(O)CCC1 ZINC000817415043 632626460 /nfs/dbraw/zinc/62/64/60/632626460.db2.gz SCASXMMKZQFZFP-UHFFFAOYSA-N 0 1 269.772 2.830 20 10 CFCDMN C[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846074027 632629858 /nfs/dbraw/zinc/62/98/58/632629858.db2.gz VUAYEEFJFJRPTH-SNVBAGLBSA-N 0 1 269.772 2.950 20 10 CFCDMN COc1cccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000846168016 632651982 /nfs/dbraw/zinc/65/19/82/632651982.db2.gz GBNCYOMENRGUBA-MNOVXSKESA-N 0 1 275.352 2.546 20 10 CFCDMN COc1cccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000846170015 632653169 /nfs/dbraw/zinc/65/31/69/632653169.db2.gz USQSEUIZMNLSEN-GMXVVIOVSA-N 0 1 287.363 2.954 20 10 CFCDMN CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846193754 632658476 /nfs/dbraw/zinc/65/84/76/632658476.db2.gz OBHPGCOBKHLLPJ-UKRRQHHQSA-N 0 1 299.798 2.628 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)ccc1[O-] ZINC000846209742 632661081 /nfs/dbraw/zinc/66/10/81/632661081.db2.gz UCKJIUPZAKBSRM-ZYHUDNBSSA-N 0 1 275.751 2.807 20 10 CFCDMN Cc1cc(C[N@H+](C)[C@@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846224212 632668431 /nfs/dbraw/zinc/66/84/31/632668431.db2.gz HCFKXZRGVWPSBK-AWEZNQCLSA-N 0 1 290.407 2.890 20 10 CFCDMN CCN1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473554 632715511 /nfs/dbraw/zinc/71/55/11/632715511.db2.gz UBKVQNXCFXLJCF-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981891 632778679 /nfs/dbraw/zinc/77/86/79/632778679.db2.gz WUGOAPYZUSKBSQ-WCQYABFASA-N 0 1 288.313 2.569 20 10 CFCDMN CC(C)n1cncc1CNCc1ccc(N(C)C)c(F)c1 ZINC000818184214 632809426 /nfs/dbraw/zinc/80/94/26/632809426.db2.gz FOLZAZITNSABOV-UHFFFAOYSA-N 0 1 290.386 2.959 20 10 CFCDMN CCO/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000848079813 633198812 /nfs/dbraw/zinc/19/88/12/633198812.db2.gz PESQHQLBFRXVIW-ARJAWSKDSA-N 0 1 290.146 2.865 20 10 CFCDMN Cc1ncncc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000848524159 633276503 /nfs/dbraw/zinc/27/65/03/633276503.db2.gz BQKPIXITKNPPAW-NSHDSACASA-N 0 1 288.370 2.841 20 10 CFCDMN CCc1cccc(CNCc2nccn2C(F)F)c1O ZINC000848894243 633381039 /nfs/dbraw/zinc/38/10/39/633381039.db2.gz HASQQWMWJVJOIL-UHFFFAOYSA-N 0 1 281.306 2.836 20 10 CFCDMN CCc1cccc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000848914768 633399122 /nfs/dbraw/zinc/39/91/22/633399122.db2.gz NLFXRTNNKCECBT-FZMZJTMJSA-N 0 1 271.364 2.947 20 10 CFCDMN CCc1cccc(CN[C@@H](C)c2ccn(C)n2)c1O ZINC000848916378 633400633 /nfs/dbraw/zinc/40/06/33/633400633.db2.gz GTBNRFMZYLZWMY-NSHDSACASA-N 0 1 259.353 2.539 20 10 CFCDMN Cn1ncc(C2CCC2)c1CNCc1ccc2c(c1)CCO2 ZINC000850110874 633845676 /nfs/dbraw/zinc/84/56/76/633845676.db2.gz ANNOKIBSONCWGS-UHFFFAOYSA-N 0 1 297.402 2.912 20 10 CFCDMN COc1ccc(N2CC[C@H](NCc3cscn3)C2)cc1 ZINC000850346692 633949005 /nfs/dbraw/zinc/94/90/05/633949005.db2.gz WYMCWCGCXJQKNO-LBPRGKRZSA-N 0 1 289.404 2.520 20 10 CFCDMN CCC[N@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000850409798 633981826 /nfs/dbraw/zinc/98/18/26/633981826.db2.gz GVIVVDJYYKKIMT-UHFFFAOYSA-N 0 1 295.383 2.510 20 10 CFCDMN CCC[N@@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000850409798 633981830 /nfs/dbraw/zinc/98/18/30/633981830.db2.gz GVIVVDJYYKKIMT-UHFFFAOYSA-N 0 1 295.383 2.510 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](C)c2nccn2C)c(O)c1 ZINC000850572486 634056660 /nfs/dbraw/zinc/05/66/60/634056660.db2.gz KOXBCMHOKYLHSN-RYUDHWBXSA-N 0 1 259.353 2.846 20 10 CFCDMN CCn1nccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000853093295 634901195 /nfs/dbraw/zinc/90/11/95/634901195.db2.gz IEKLDZGLDRXVCP-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(O)CCCCC1 ZINC000112204816 635300924 /nfs/dbraw/zinc/30/09/24/635300924.db2.gz ZPSFRDVMLLASDG-UHFFFAOYSA-N 0 1 269.772 2.830 20 10 CFCDMN CCOc1cncc(CN(C)Cc2ccccc2O)c1 ZINC000857018889 635906776 /nfs/dbraw/zinc/90/67/76/635906776.db2.gz WPKMSVKPVMALFS-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN C[C@H]([NH2+]CCN(C)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858596204 636304471 /nfs/dbraw/zinc/30/44/71/636304471.db2.gz CCYFRWULPWEDJI-VIFPVBQESA-N 0 1 292.757 2.893 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C ZINC000188311064 650322850 /nfs/dbraw/zinc/32/28/50/650322850.db2.gz ZNPXZZLDUDCYSQ-GWCFXTLKSA-N 0 1 269.772 2.902 20 10 CFCDMN CN(Cc1c(O)cccc1Br)C1CC1 ZINC000862220476 637290088 /nfs/dbraw/zinc/29/00/88/637290088.db2.gz OKOYOEKAKYUMBC-UHFFFAOYSA-N 0 1 256.143 2.749 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000862251653 637300047 /nfs/dbraw/zinc/30/00/47/637300047.db2.gz KHOCOAPQNUHFEQ-MEDUHNTESA-N 0 1 298.377 2.624 20 10 CFCDMN CN(C)c1cc(F)c(CN(CC(C)(C)O)C2CC2)cc1F ZINC000862334149 637323395 /nfs/dbraw/zinc/32/33/95/637323395.db2.gz ZVBRWONHUIHQGL-UHFFFAOYSA-N 0 1 298.377 2.766 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000862387459 637349961 /nfs/dbraw/zinc/34/99/61/637349961.db2.gz MESWISDLZFSJDD-VIFPVBQESA-N 0 1 275.751 2.778 20 10 CFCDMN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000862487272 637401972 /nfs/dbraw/zinc/40/19/72/637401972.db2.gz NJHPSSYLSYVENJ-CYBMUJFWSA-N 0 1 295.766 2.787 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529362 637407446 /nfs/dbraw/zinc/40/74/46/637407446.db2.gz STSIDLPDTFOJFC-SWLSCSKDSA-N 0 1 281.783 2.640 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](CCF)C1 ZINC000862529808 637409215 /nfs/dbraw/zinc/40/92/15/637409215.db2.gz HQHYRCXYARSIDL-INIZCTEOSA-N 0 1 280.387 2.621 20 10 CFCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000863476461 637672328 /nfs/dbraw/zinc/67/23/28/637672328.db2.gz FMRYKQZJVZKROZ-AGGWBTHJSA-N 0 1 290.407 2.826 20 10 CFCDMN OC1CCN(c2ccc(CNCc3ccco3)cc2)CC1 ZINC000076275550 650376790 /nfs/dbraw/zinc/37/67/90/650376790.db2.gz JRDFEQNECNLEHR-UHFFFAOYSA-N 0 1 286.375 2.531 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000866489144 638829823 /nfs/dbraw/zinc/82/98/23/638829823.db2.gz FBVDOEXJOXZBAR-UWJYBYFXSA-N 0 1 255.745 2.610 20 10 CFCDMN CCCOc1ccc(CNCc2cncn2C)cc1C ZINC000873127014 642019681 /nfs/dbraw/zinc/01/96/81/642019681.db2.gz GIMOLQMFAMRJDW-UHFFFAOYSA-N 0 1 273.380 2.807 20 10 CFCDMN CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019960357 642242780 /nfs/dbraw/zinc/24/27/80/642242780.db2.gz ZRPPHFQDZVGHJI-CYBMUJFWSA-N 0 1 268.788 2.620 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000873640460 642284124 /nfs/dbraw/zinc/28/41/24/642284124.db2.gz DUTFILCYZDDYBF-MRXNPFEDSA-N 0 1 290.407 2.828 20 10 CFCDMN O=C(c1ccn[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000125293777 642587877 /nfs/dbraw/zinc/58/78/77/642587877.db2.gz VGALBVDWKLUOCA-UHFFFAOYSA-N 0 1 297.314 2.551 20 10 CFCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000086784043 650797664 /nfs/dbraw/zinc/79/76/64/650797664.db2.gz RTPGHBCFTMGWFQ-QGZVFWFLSA-N 0 1 290.407 2.829 20 10 CFCDMN Cc1cccc(O)c1CN1CCN(Cc2ccco2)CC1 ZINC000876553798 642919667 /nfs/dbraw/zinc/91/96/67/642919667.db2.gz YOWUAASGFKXZOS-UHFFFAOYSA-N 0 1 286.375 2.611 20 10 CFCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCOC1 ZINC000876597358 642939788 /nfs/dbraw/zinc/93/97/88/642939788.db2.gz XBKVKGAHFBMAFD-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCOC3(CCCC3)C2)ccc(F)c1F ZINC000876760254 642998011 /nfs/dbraw/zinc/99/80/11/642998011.db2.gz PASPACKJRPEBSM-UHFFFAOYSA-N 0 1 283.318 2.815 20 10 CFCDMN [O-]c1c(C[N@H+]2CCOC3(CCCC3)C2)ccc(F)c1F ZINC000876760254 642998016 /nfs/dbraw/zinc/99/80/16/642998016.db2.gz PASPACKJRPEBSM-UHFFFAOYSA-N 0 1 283.318 2.815 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000876781132 643005657 /nfs/dbraw/zinc/00/56/57/643005657.db2.gz KAGSOCXMYRHDTQ-UONOGXRCSA-N 0 1 261.365 2.559 20 10 CFCDMN Cc1cccc(O)c1CNCc1ccn(C(C)C)n1 ZINC000877053528 643123485 /nfs/dbraw/zinc/12/34/85/643123485.db2.gz QJWQDSHNNKXXNW-UHFFFAOYSA-N 0 1 259.353 2.768 20 10 CFCDMN COC(=O)[C@H](C)N(Cc1ccc(C)cc1O)C1CCC1 ZINC000877471947 643290323 /nfs/dbraw/zinc/29/03/23/643290323.db2.gz FTFFJPGQLVZHII-LBPRGKRZSA-N 0 1 277.364 2.617 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000877475480 643292674 /nfs/dbraw/zinc/29/26/74/643292674.db2.gz IPUNXYJKMRTQRM-SECBINFHSA-N 0 1 273.348 2.998 20 10 CFCDMN CN(CCC[NH+]1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877496561 643308843 /nfs/dbraw/zinc/30/88/43/643308843.db2.gz UYJBNTZCZLXDCZ-UHFFFAOYSA-N 0 1 284.350 2.588 20 10 CFCDMN C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877528566 643332070 /nfs/dbraw/zinc/33/20/70/643332070.db2.gz DQWHWZYIYFWAPO-OAHLLOKOSA-N 0 1 285.334 2.797 20 10 CFCDMN CCC[N@H+](CC)C[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877543056 643345234 /nfs/dbraw/zinc/34/52/34/643345234.db2.gz VXZVUPPUPCCWFH-LLVKDONJSA-N 0 1 286.366 2.880 20 10 CFCDMN CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877543056 643345237 /nfs/dbraw/zinc/34/52/37/643345237.db2.gz VXZVUPPUPCCWFH-LLVKDONJSA-N 0 1 286.366 2.880 20 10 CFCDMN CCCc1ncc(CNCc2ccc(C)cc2O)o1 ZINC000877573141 643371108 /nfs/dbraw/zinc/37/11/08/643371108.db2.gz OOOAOXAZUWPSKR-UHFFFAOYSA-N 0 1 260.337 2.931 20 10 CFCDMN [O-]c1c(C[NH2+]Cc2nnc(C3CC3)s2)ccc(F)c1F ZINC000877591360 643385458 /nfs/dbraw/zinc/38/54/58/643385458.db2.gz CMFWJWCPEZTABY-UHFFFAOYSA-N 0 1 297.330 2.689 20 10 CFCDMN OC1CCN(c2ccc(C[N@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000877617624 643404170 /nfs/dbraw/zinc/40/41/70/643404170.db2.gz YCEYAEYSILJMPI-HNNXBMFYSA-N 0 1 292.398 2.582 20 10 CFCDMN OC1CCN(c2ccc(CN3CCC[C@H](F)C3)cc2)CC1 ZINC000877617624 643404175 /nfs/dbraw/zinc/40/41/75/643404175.db2.gz YCEYAEYSILJMPI-HNNXBMFYSA-N 0 1 292.398 2.582 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1Cl ZINC000877683216 643452562 /nfs/dbraw/zinc/45/25/62/643452562.db2.gz ULWNLACHWAHEFR-PCSJOYPTSA-N 0 1 293.794 2.867 20 10 CFCDMN Cc1nc(C)c(CN2Cc3cccc(O)c3C2)s1 ZINC000877702934 643467142 /nfs/dbraw/zinc/46/71/42/643467142.db2.gz KQIVGUIXHJZQGW-UHFFFAOYSA-N 0 1 260.362 2.981 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000877739090 643503443 /nfs/dbraw/zinc/50/34/43/643503443.db2.gz FGDORQGFQASNKC-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN CC1(C)C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877752671 643529659 /nfs/dbraw/zinc/52/96/59/643529659.db2.gz HIIPREGMWDMDQC-GFCCVEGCSA-N 0 1 269.772 2.638 20 10 CFCDMN CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877752671 643529663 /nfs/dbraw/zinc/52/96/63/643529663.db2.gz HIIPREGMWDMDQC-GFCCVEGCSA-N 0 1 269.772 2.638 20 10 CFCDMN COc1ccccc1[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000877754702 643534035 /nfs/dbraw/zinc/53/40/35/643534035.db2.gz PROPDADEGYTDJT-GOSISDBHSA-N 0 1 299.370 2.974 20 10 CFCDMN COC(=O)c1coc(CN[C@@H](C)c2ccccc2O)c1 ZINC000877757172 643537659 /nfs/dbraw/zinc/53/76/59/643537659.db2.gz KWPFIXIMBWHQFC-JTQLQIEISA-N 0 1 275.304 2.623 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877835225 643600054 /nfs/dbraw/zinc/60/00/54/643600054.db2.gz LGZMICXZFRWZHU-SNVBAGLBSA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877835225 643600059 /nfs/dbraw/zinc/60/00/59/643600059.db2.gz LGZMICXZFRWZHU-SNVBAGLBSA-N 0 1 269.772 2.638 20 10 CFCDMN CCCCN(CC(N)=O)Cc1ccc(N(CC)CC)cc1 ZINC000091950589 650912587 /nfs/dbraw/zinc/91/25/87/650912587.db2.gz CABVPHKTSDPWBM-UHFFFAOYSA-N 0 1 291.439 2.620 20 10 CFCDMN CCC[C@@H]1CN(Cc2cc(OCC)ccc2O)CCO1 ZINC000093508897 650941841 /nfs/dbraw/zinc/94/18/41/650941841.db2.gz JUKJYQAUIFWXQA-OAHLLOKOSA-N 0 1 279.380 2.792 20 10 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CCN1CCC([N@H+](C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583676 770964646 /nfs/dbraw/zinc/96/46/46/770964646.db2.gz QOLPZCJTFXNNAI-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN1CCC([N@@H+](C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583676 770964652 /nfs/dbraw/zinc/96/46/52/770964652.db2.gz QOLPZCJTFXNNAI-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN(CCOC)Cc1ccc(N(C)C)cc1Cl ZINC001140921260 775650899 /nfs/dbraw/zinc/65/08/99/775650899.db2.gz AAHYPLPKFNJVHC-UHFFFAOYSA-N 0 1 270.804 2.874 20 10 CFCDMN CN1CCOc2cc(CN3CCCC[C@H](F)C3)ccc21 ZINC001141139881 775947451 /nfs/dbraw/zinc/94/74/51/775947451.db2.gz DEYBZNCADIQSSX-AWEZNQCLSA-N 0 1 278.371 2.839 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC23CCCC3)c(O)c1 ZINC001231450612 777223018 /nfs/dbraw/zinc/22/30/18/777223018.db2.gz TYRVJEFRINISJH-UHFFFAOYSA-N 0 1 261.321 2.609 20 10 CFCDMN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231454508 777224111 /nfs/dbraw/zinc/22/41/11/777224111.db2.gz ZDBPLJNFPIBOOR-UHFFFAOYSA-N 0 1 297.354 2.957 20 10 CFCDMN 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267.756 2.983 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC001232266654 777499189 /nfs/dbraw/zinc/49/91/89/777499189.db2.gz QQANLBYVSZSQAS-LLVKDONJSA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC001232266654 777499193 /nfs/dbraw/zinc/49/91/93/777499193.db2.gz QQANLBYVSZSQAS-LLVKDONJSA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc(O)c(CN2CC[C@@H]3CCO[C@H]3C2)cc1Cl ZINC001232267484 777499833 /nfs/dbraw/zinc/49/98/33/777499833.db2.gz HDXDSHNEWXKXBZ-BMIGLBTASA-N 0 1 297.782 2.665 20 10 CFCDMN CCN(Cc1[nH]nc2c1CCC2)Cc1ccc(N(C)C)cc1 ZINC001232429774 777558624 /nfs/dbraw/zinc/55/86/24/777558624.db2.gz BSZRQQOHXUYHNL-UHFFFAOYSA-N 0 1 298.434 2.987 20 10 CFCDMN Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2O)cn1 ZINC001232840981 777689802 /nfs/dbraw/zinc/68/98/02/777689802.db2.gz OZQOLNJBNTYFQE-UHFFFAOYSA-N 0 1 285.391 2.794 20 10 CFCDMN C[C@]1(F)CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009977 777761659 /nfs/dbraw/zinc/76/16/59/777761659.db2.gz 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778941533 /nfs/dbraw/zinc/94/15/33/778941533.db2.gz HUZRDUYEPDRHRX-SECBINFHSA-N 0 1 289.206 2.835 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(Cl)c1 ZINC001236794605 778941858 /nfs/dbraw/zinc/94/18/58/778941858.db2.gz BOKPSBLSEODGKA-BMIGLBTASA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(Cl)c1 ZINC001236794605 778941862 /nfs/dbraw/zinc/94/18/62/778941862.db2.gz BOKPSBLSEODGKA-BMIGLBTASA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(Cl)c1 ZINC001236800482 778943167 /nfs/dbraw/zinc/94/31/67/778943167.db2.gz ZPYBYXABTBITLI-YGRLFVJLSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c(Cl)c1 ZINC001236800482 778943171 /nfs/dbraw/zinc/94/31/71/778943171.db2.gz ZPYBYXABTBITLI-YGRLFVJLSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(CN2CC(F)(F)C2)c(O)c1Cl ZINC001236801084 778943682 /nfs/dbraw/zinc/94/36/82/778943682.db2.gz FSIPTJCICPBJFP-UHFFFAOYSA-N 0 1 263.671 2.505 20 10 CFCDMN COc1ccc(C[N@H+]2CCCO[C@H](C)C2)c([O-])c1Cl ZINC001236801240 778944619 /nfs/dbraw/zinc/94/46/19/778944619.db2.gz IFUKVPYXPSWOAS-SNVBAGLBSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c([O-])c1Cl ZINC001236802255 778944747 /nfs/dbraw/zinc/94/47/47/778944747.db2.gz QJEQNYPHMQTFTK-WDEREUQCSA-N 0 1 298.814 2.579 20 10 CFCDMN COc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1Cl ZINC001236802057 778944861 /nfs/dbraw/zinc/94/48/61/778944861.db2.gz NPGPGNMQDWPMOK-GHMZBOCLSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CCCO[C@@H](C)C2)c([O-])c1Cl ZINC001236801239 778944901 /nfs/dbraw/zinc/94/49/01/778944901.db2.gz IFUKVPYXPSWOAS-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c([O-])c1Cl ZINC001236802292 778944970 /nfs/dbraw/zinc/94/49/70/778944970.db2.gz RSPFXYXMKLXASE-GARJFASQSA-N 0 1 285.746 2.844 20 10 CFCDMN COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c([O-])c1Cl ZINC001236802292 778944974 /nfs/dbraw/zinc/94/49/74/778944974.db2.gz RSPFXYXMKLXASE-GARJFASQSA-N 0 1 285.746 2.844 20 10 CFCDMN COc1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)c(Cl)c1 ZINC001236802148 778945617 /nfs/dbraw/zinc/94/56/17/778945617.db2.gz HUTNADUUARMNFV-UHFFFAOYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1ccc(CN(C)CC(F)F)c(O)c1Cl ZINC001236812628 778946066 /nfs/dbraw/zinc/94/60/66/778946066.db2.gz AERKFWQRNDYRKJ-UHFFFAOYSA-N 0 1 265.687 2.751 20 10 CFCDMN COc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1Cl ZINC001236805764 778946407 /nfs/dbraw/zinc/94/64/07/778946407.db2.gz IWZAHCRLTSOHIG-NXEZZACHSA-N 0 1 285.771 2.663 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001236807225 778946919 /nfs/dbraw/zinc/94/69/19/778946919.db2.gz DTXYVWHVQBGTSC-CXAGYDPISA-N 0 1 293.407 2.692 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)CC2(C)COC2)c(Cl)c1 ZINC001236804768 778947377 /nfs/dbraw/zinc/94/73/77/778947377.db2.gz YKHUZQMIQKSTHU-UHFFFAOYSA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)c(Cl)c1 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CC(C)c1ccc(CN2CCc3nn(C)cc3C2)c(O)c1 ZINC001237048074 778998311 /nfs/dbraw/zinc/99/83/11/778998311.db2.gz COVIWAVVSYBVIO-UHFFFAOYSA-N 0 1 285.391 2.807 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001237049072 778999111 /nfs/dbraw/zinc/99/91/11/778999111.db2.gz CXZUMPUJRJZMNQ-KRWDZBQOSA-N 0 1 291.391 2.936 20 10 CFCDMN CC(C)c1ccc(CN(C)Cc2cnccn2)c(O)c1 ZINC001237049794 779000768 /nfs/dbraw/zinc/00/07/68/779000768.db2.gz TYZBRWBBJXMLJN-UHFFFAOYSA-N 0 1 271.364 2.938 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237050602 779000780 /nfs/dbraw/zinc/00/07/80/779000780.db2.gz SALQRQHQSMJEBF-SUMWQHHRSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237050602 779000785 /nfs/dbraw/zinc/00/07/85/779000785.db2.gz SALQRQHQSMJEBF-SUMWQHHRSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237050602 779000792 /nfs/dbraw/zinc/00/07/92/779000792.db2.gz 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779018782 /nfs/dbraw/zinc/01/87/82/779018782.db2.gz SBWRIQBZDMRCEQ-MGCOHNPYSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@@H]1CO[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]12 ZINC001237127807 779021047 /nfs/dbraw/zinc/02/10/47/779021047.db2.gz FRTSYLSVAUCJMZ-JRKPZEMJSA-N 0 1 285.746 2.651 20 10 CFCDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]12 ZINC001237127807 779021051 /nfs/dbraw/zinc/02/10/51/779021051.db2.gz FRTSYLSVAUCJMZ-JRKPZEMJSA-N 0 1 285.746 2.651 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237127629 779021300 /nfs/dbraw/zinc/02/13/00/779021300.db2.gz DNXCPFMLOMXMQA-ZANVPECISA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237127629 779021307 /nfs/dbraw/zinc/02/13/07/779021307.db2.gz DNXCPFMLOMXMQA-ZANVPECISA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CCO2)CC1 ZINC001237126514 779021324 /nfs/dbraw/zinc/02/13/24/779021324.db2.gz MHEFPXIYRKZHBW-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN Cc1ccc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000698928565 779102257 /nfs/dbraw/zinc/10/22/57/779102257.db2.gz OPLQBEAHNWIHIH-NHYWBVRUSA-N 0 1 285.334 2.945 20 10 CFCDMN Cc1cccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000698928067 779102396 /nfs/dbraw/zinc/10/23/96/779102396.db2.gz IHJIRLRRMPAZFU-XHDPSFHLSA-N 0 1 285.334 2.945 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237417558 779104926 /nfs/dbraw/zinc/10/49/26/779104926.db2.gz TZDPVWSBLZFNPW-RISCZKNCSA-N 0 1 280.799 2.620 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001237484305 779117942 /nfs/dbraw/zinc/11/79/42/779117942.db2.gz BCJZFZDNLYDOPF-MRXNPFEDSA-N 0 1 263.381 2.685 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001237495536 779120650 /nfs/dbraw/zinc/12/06/50/779120650.db2.gz RANJZFDYFRHDNT-UHFFFAOYSA-N 0 1 295.386 2.926 20 10 CFCDMN Cc1cccc(O)c1CN1CCc2cnc(C3CC3)nc2C1 ZINC001237495536 779120652 /nfs/dbraw/zinc/12/06/52/779120652.db2.gz RANJZFDYFRHDNT-UHFFFAOYSA-N 0 1 295.386 2.926 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1CO ZINC001237618396 779145460 /nfs/dbraw/zinc/14/54/60/779145460.db2.gz ZSLDZUHZBBYQLE-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN CC(C)[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC001237620698 779145492 /nfs/dbraw/zinc/14/54/92/779145492.db2.gz OWDSQJJDXMMBPT-UHFFFAOYSA-N 0 1 275.751 2.778 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC001237622291 779145996 /nfs/dbraw/zinc/14/59/96/779145996.db2.gz PRPODTLCAOYCGQ-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN CCOC(=O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622176 779146068 /nfs/dbraw/zinc/14/60/68/779146068.db2.gz NZVXPOMBALEYNU-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@@]1(O)CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617993 779146155 /nfs/dbraw/zinc/14/61/55/779146155.db2.gz WMJSXBRZSKCDPQ-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN CC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC001237623955 779147186 /nfs/dbraw/zinc/14/71/86/779147186.db2.gz NVWKLYRQBOIWGL-LBPRGKRZSA-N 0 1 271.719 2.738 20 10 CFCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623759 779147377 /nfs/dbraw/zinc/14/73/77/779147377.db2.gz UXLZUZZFNDGFMA-SECBINFHSA-N 0 1 271.719 2.596 20 10 CFCDMN CN(Cc1cc(F)cc(Cl)c1O)Cc1ncccn1 ZINC001237800673 779182322 /nfs/dbraw/zinc/18/23/22/779182322.db2.gz AJCBRFIETIQNKL-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN CN1CCC([N@@H+](C)Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804968 779182677 /nfs/dbraw/zinc/18/26/77/779182677.db2.gz CEASAONTQBSPED-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)cc(Cl)c2O)CCCC1=O ZINC001237807936 779184719 /nfs/dbraw/zinc/18/47/19/779184719.db2.gz OOBCOFSYHSDKBC-VIFPVBQESA-N 0 1 285.746 2.986 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001237812950 779185797 /nfs/dbraw/zinc/18/57/97/779185797.db2.gz JCPDWXFVQONIGJ-ZDUSSCGKSA-N 0 1 298.789 2.855 20 10 CFCDMN C[C@@H]1CC(=O)CCN1Cc1cc(F)cc(Cl)c1O ZINC001237809000 779186031 /nfs/dbraw/zinc/18/60/31/779186031.db2.gz XVRHVWBOSDXJQD-MRVPVSSYSA-N 0 1 271.719 2.738 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237933735 779209006 /nfs/dbraw/zinc/20/90/06/779209006.db2.gz GDLNAVGSIQQVPH-JTQLQIEISA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1O ZINC001237933448 779210021 /nfs/dbraw/zinc/21/00/21/779210021.db2.gz BWLWMRFWIWFWSJ-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001237933650 779210240 /nfs/dbraw/zinc/21/02/40/779210240.db2.gz FJCFQTYAVPHAJY-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237934626 779211081 /nfs/dbraw/zinc/21/10/81/779211081.db2.gz LRLLIGUYXFIBEU-KOLCDFICSA-N 0 1 285.746 2.653 20 10 CFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)[C@H]1C ZINC001238071427 779246537 /nfs/dbraw/zinc/24/65/37/779246537.db2.gz XGBDOKDVUOTCAS-SMDDNHRTSA-N 0 1 295.354 2.613 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238071131 779246688 /nfs/dbraw/zinc/24/66/88/779246688.db2.gz SOHJKGKKZRKQFT-INIZCTEOSA-N 0 1 295.354 2.615 20 10 CFCDMN C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)C1 ZINC001237939329 779725212 /nfs/dbraw/zinc/72/52/12/779725212.db2.gz AQSDVPDVNGEZFL-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[N@H+]1CC[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)C1 ZINC001237939329 779725218 /nfs/dbraw/zinc/72/52/18/779725218.db2.gz AQSDVPDVNGEZFL-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237950250 779726677 /nfs/dbraw/zinc/72/66/77/779726677.db2.gz RFPRKLSFWWXJBT-LKFCYVNXSA-N 0 1 285.746 2.796 20 10 CFCDMN CO[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@@H]1F ZINC001143103377 780384935 /nfs/dbraw/zinc/38/49/35/780384935.db2.gz BGGGXTYVZXLYSL-UONOGXRCSA-N 0 1 281.371 2.858 20 10 CFCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000703449076 781015160 /nfs/dbraw/zinc/01/51/60/781015160.db2.gz YGZWLFJEZSWIAK-CMPLNLGQSA-N 0 1 283.318 2.527 20 10 CFCDMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703480452 781016228 /nfs/dbraw/zinc/01/62/28/781016228.db2.gz BFWPBDVRDVTJKC-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN CN(C)C1(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703502598 781017768 /nfs/dbraw/zinc/01/77/68/781017768.db2.gz OVMDVGJUQYNZCA-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CN(Cc1ccc(F)c(F)c1[O-])CC1([NH+](C)C)CCC1 ZINC000703502598 781017777 /nfs/dbraw/zinc/01/77/77/781017777.db2.gz OVMDVGJUQYNZCA-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CC(C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706810011 781203686 /nfs/dbraw/zinc/20/36/86/781203686.db2.gz YEXAVXREYNBJPT-UHFFFAOYSA-N 0 1 258.159 2.900 20 10 CFCDMN C[C@H]1C[C@@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706829980 781205169 /nfs/dbraw/zinc/20/51/69/781205169.db2.gz JJPWFMQXSWRSNY-DTWKUNHWSA-N 0 1 270.170 2.900 20 10 CFCDMN COCC(C)(C)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708383560 781272269 /nfs/dbraw/zinc/27/22/69/781272269.db2.gz MJQJTKSDBZTEQD-UHFFFAOYSA-N 0 1 259.296 2.527 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1Cl ZINC001118577949 781682714 /nfs/dbraw/zinc/68/27/14/781682714.db2.gz VYEHSUFPRVYCBG-ONGXEEELSA-N 0 1 255.745 2.621 20 10 CFCDMN Cn1ccnc1[C@@H](NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000364476749 282750380 /nfs/dbraw/zinc/75/03/80/282750380.db2.gz FDCIAZXOFLKTIR-KRWDZBQOSA-N 0 1 296.418 2.653 20 10 CFCDMN COCCC1(C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000297459574 200198231 /nfs/dbraw/zinc/19/82/31/200198231.db2.gz RLBYDEZHEQBIRB-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN CN(C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019958970 372215364 /nfs/dbraw/zinc/21/53/64/372215364.db2.gz GPUMVFQBLVMREM-UHFFFAOYSA-N 0 1 277.195 2.740 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856016 375066021 /nfs/dbraw/zinc/06/60/21/375066021.db2.gz NNXOEPKSMGFGQO-JSGCOSHPSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856016 375066030 /nfs/dbraw/zinc/06/60/30/375066030.db2.gz NNXOEPKSMGFGQO-JSGCOSHPSA-N 0 1 299.823 2.752 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000124588697 377067366 /nfs/dbraw/zinc/06/73/66/377067366.db2.gz FQJYMXJKAKCKKS-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCOC1 ZINC000124593037 377068356 /nfs/dbraw/zinc/06/83/56/377068356.db2.gz FKAQODPEWNHAOD-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CCCOc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000126956999 377256701 /nfs/dbraw/zinc/25/67/01/377256701.db2.gz RKRKJYNUSCYGGW-BETUJISGSA-N 0 1 279.380 2.790 20 10 CFCDMN Cc1nc(CC[N@H+](C)Cc2ccccc2O)cs1 ZINC000128391676 377335278 /nfs/dbraw/zinc/33/52/78/377335278.db2.gz QXEYDQFGUSBSRM-UHFFFAOYSA-N 0 1 262.378 2.832 20 10 CFCDMN C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCO1 ZINC000132959622 377890780 /nfs/dbraw/zinc/89/07/80/377890780.db2.gz ZFYOGIBWOQXIMA-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000132959622 377890790 /nfs/dbraw/zinc/89/07/90/377890790.db2.gz ZFYOGIBWOQXIMA-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000134153573 377987556 /nfs/dbraw/zinc/98/75/56/377987556.db2.gz LZRNORHSPAUAHI-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000134153573 377987560 /nfs/dbraw/zinc/98/75/60/377987560.db2.gz LZRNORHSPAUAHI-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+]Cc2c([O-])cccc2Cl)[nH]n1 ZINC000136773773 378209062 /nfs/dbraw/zinc/20/90/62/378209062.db2.gz KDJNKJLCXDHHDP-VIFPVBQESA-N 0 1 279.771 2.798 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+]Cc2c([O-])cccc2Cl)n[nH]1 ZINC000136773773 378209067 /nfs/dbraw/zinc/20/90/67/378209067.db2.gz KDJNKJLCXDHHDP-VIFPVBQESA-N 0 1 279.771 2.798 20 10 CFCDMN Cc1cnn(C)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000289108387 381026494 /nfs/dbraw/zinc/02/64/94/381026494.db2.gz MSJCRIYPVSCLHC-UHFFFAOYSA-N 0 1 298.434 2.959 20 10 CFCDMN Cc1cnn(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000289108387 381026502 /nfs/dbraw/zinc/02/65/02/381026502.db2.gz MSJCRIYPVSCLHC-UHFFFAOYSA-N 0 1 298.434 2.959 20 10 CFCDMN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])C1COC1 ZINC000295985487 381198996 /nfs/dbraw/zinc/19/89/96/381198996.db2.gz JXKHLKCGWWPMCS-UHFFFAOYSA-N 0 1 255.745 2.655 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184701166 381463543 /nfs/dbraw/zinc/46/35/43/381463543.db2.gz IIPFDVBUMYCOBN-LLVKDONJSA-N 0 1 299.798 2.913 20 10 CFCDMN C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000184888605 381493211 /nfs/dbraw/zinc/49/32/11/381493211.db2.gz JLNVLBJDCFJVEL-LLVKDONJSA-N 0 1 296.798 2.709 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185217822 381566633 /nfs/dbraw/zinc/56/66/33/381566633.db2.gz GJQYZEZTJJDIGY-ZJUUUORDSA-N 0 1 298.814 2.999 20 10 CFCDMN CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185463099 381639960 /nfs/dbraw/zinc/63/99/60/381639960.db2.gz FGHHPCNLHDGECT-RNCFNFMXSA-N 0 1 257.761 2.713 20 10 CFCDMN C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CN(C)C ZINC000293383020 382101427 /nfs/dbraw/zinc/10/14/27/382101427.db2.gz IKTOCZBVSOVALZ-NXEZZACHSA-N 0 1 272.339 2.519 20 10 CFCDMN Cc1cc(CN2CCO[C@@H]3CCC[C@H]32)ccc1N(C)C ZINC000293577480 382182553 /nfs/dbraw/zinc/18/25/53/382182553.db2.gz SYSARNINLBBBOY-IAGOWNOFSA-N 0 1 274.408 2.814 20 10 CFCDMN COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000364627127 382341882 /nfs/dbraw/zinc/34/18/82/382341882.db2.gz BZPKTZCQURCIHX-ZBEGNZNMSA-N 0 1 277.364 2.573 20 10 CFCDMN COc1ccc(O)c([C@H](C)N2CCO[C@H](C3CC3)C2)c1 ZINC000364627127 382341889 /nfs/dbraw/zinc/34/18/89/382341889.db2.gz BZPKTZCQURCIHX-ZBEGNZNMSA-N 0 1 277.364 2.573 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[C@H]1O ZINC000294118634 382422228 /nfs/dbraw/zinc/42/22/28/382422228.db2.gz GFXQIMVADHTABP-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1nc(CNCc2ccc(N(C)C)cc2)c2n1CCCC2 ZINC000378401511 382455931 /nfs/dbraw/zinc/45/59/31/382455931.db2.gz XHQLJLRKYPHGFR-UHFFFAOYSA-N 0 1 298.434 2.884 20 10 CFCDMN COc1cccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000294202604 382458163 /nfs/dbraw/zinc/45/81/63/382458163.db2.gz XWBQMFORMHLKFC-DLBZAZTESA-N 0 1 289.375 2.544 20 10 CFCDMN CN(C)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1F ZINC000268883948 384684477 /nfs/dbraw/zinc/68/44/77/384684477.db2.gz YPWUBPYIMABVRI-CQSZACIVSA-N 0 1 288.370 2.782 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000282180285 385238426 /nfs/dbraw/zinc/23/84/26/385238426.db2.gz FQEUMVUMHXUIRW-GXFFZTMASA-N 0 1 253.317 2.531 20 10 CFCDMN CCN(CC)c1ccc(CN2CCC[C@H](O)C2)cc1F ZINC000271017649 385303453 /nfs/dbraw/zinc/30/34/53/385303453.db2.gz RTMMQKJRFMBQIJ-AWEZNQCLSA-N 0 1 280.387 2.629 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000271108994 385338175 /nfs/dbraw/zinc/33/81/75/385338175.db2.gz COXDONZSHLGNBM-ZBFHGGJFSA-N 0 1 277.364 2.544 20 10 CFCDMN CCCNC(=O)C[N@@H+](CCC)Cc1cccc(Cl)c1[O-] ZINC000271693926 385389131 /nfs/dbraw/zinc/38/91/31/385389131.db2.gz AENJNGRPSBSDMR-UHFFFAOYSA-N 0 1 298.814 2.784 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000271248844 385377713 /nfs/dbraw/zinc/37/77/13/385377713.db2.gz HTBULHXDZUBRFJ-GWCFXTLKSA-N 0 1 269.772 2.638 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000271248844 385377715 /nfs/dbraw/zinc/37/77/15/385377715.db2.gz HTBULHXDZUBRFJ-GWCFXTLKSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000271295804 385378822 /nfs/dbraw/zinc/37/88/22/385378822.db2.gz SEGGYCPYRRUKDK-OCCSQVGLSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000271295804 385378826 /nfs/dbraw/zinc/37/88/26/385378826.db2.gz SEGGYCPYRRUKDK-OCCSQVGLSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000271295802 385378956 /nfs/dbraw/zinc/37/89/56/385378956.db2.gz SEGGYCPYRRUKDK-JSGCOSHPSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000271295802 385378961 /nfs/dbraw/zinc/37/89/61/385378961.db2.gz SEGGYCPYRRUKDK-JSGCOSHPSA-N 0 1 299.823 2.752 20 10 CFCDMN CCOC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000286223194 385574235 /nfs/dbraw/zinc/57/42/35/385574235.db2.gz RBHPMAJMAKXKMI-OAHLLOKOSA-N 0 1 297.370 2.885 20 10 CFCDMN COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273396218 385681427 /nfs/dbraw/zinc/68/14/27/385681427.db2.gz LWLSENGLOHFCCM-HNNXBMFYSA-N 0 1 294.439 2.628 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2ccncc2)cc1F ZINC000273435593 385683004 /nfs/dbraw/zinc/68/30/04/385683004.db2.gz VFDMRFWDQURUEM-UHFFFAOYSA-N 0 1 273.355 2.919 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2nncn2C)c(O)c1C ZINC000273556361 385687628 /nfs/dbraw/zinc/68/76/28/385687628.db2.gz GZYQEVMXLNOOFS-NEPJUHHUSA-N 0 1 274.368 2.549 20 10 CFCDMN Cc1ncc(CN(C)Cc2cc(F)ccc2O)s1 ZINC000179947135 393473425 /nfs/dbraw/zinc/47/34/25/393473425.db2.gz BASGRTLVPGRBRZ-UHFFFAOYSA-N 0 1 266.341 2.928 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000107064792 393868750 /nfs/dbraw/zinc/86/87/50/393868750.db2.gz USKJBZJBZWCRQE-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN CCOCCN(CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000107062163 393869157 /nfs/dbraw/zinc/86/91/57/393869157.db2.gz WXNZQMXEIUWOTN-UHFFFAOYSA-N 0 1 283.343 2.592 20 10 CFCDMN CCOCC[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000107062163 393869163 /nfs/dbraw/zinc/86/91/63/393869163.db2.gz WXNZQMXEIUWOTN-UHFFFAOYSA-N 0 1 283.343 2.592 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000107062163 393869167 /nfs/dbraw/zinc/86/91/67/393869167.db2.gz WXNZQMXEIUWOTN-UHFFFAOYSA-N 0 1 283.343 2.592 20 10 CFCDMN CCN(CC(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000348665396 393955868 /nfs/dbraw/zinc/95/58/68/393955868.db2.gz ZQPMCXFDTRDTME-UHFFFAOYSA-N 0 1 299.418 2.587 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367047808 394250300 /nfs/dbraw/zinc/25/03/00/394250300.db2.gz NDOIDCZQOQIMRT-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273441273 287036389 /nfs/dbraw/zinc/03/63/89/287036389.db2.gz YMEXFXZYIQJDRD-LDWIPMOCSA-N 0 1 283.677 2.619 20 10 CFCDMN C[C@@H]1CCOCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000368131920 267146579 /nfs/dbraw/zinc/14/65/79/267146579.db2.gz OPLAGTGODJBEJW-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@@H]1CCOCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000368131920 267146580 /nfs/dbraw/zinc/14/65/80/267146580.db2.gz OPLAGTGODJBEJW-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134904586 287876413 /nfs/dbraw/zinc/87/64/13/287876413.db2.gz UNGABEZKJLCEPH-WCBMZHEXSA-N 0 1 288.185 2.576 20 10 CFCDMN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527767974 330281809 /nfs/dbraw/zinc/28/18/09/330281809.db2.gz ZALLBEHNNFHWDH-IINYFYTJSA-N 0 1 267.756 2.703 20 10 CFCDMN CCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000211720503 333107477 /nfs/dbraw/zinc/10/74/77/333107477.db2.gz ADRXSDYBQMXRPQ-GASCZTMLSA-N 0 1 277.364 2.544 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1O ZINC000275822603 520482007 /nfs/dbraw/zinc/48/20/07/520482007.db2.gz FFSSFUJSXDFACK-LBPRGKRZSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000048965248 521293353 /nfs/dbraw/zinc/29/33/53/521293353.db2.gz IHHDCZZTONSCFM-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]1CCCO1 ZINC000048965248 521293356 /nfs/dbraw/zinc/29/33/56/521293356.db2.gz IHHDCZZTONSCFM-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CCN(Cc1cc(F)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000048965248 521293363 /nfs/dbraw/zinc/29/33/63/521293363.db2.gz IHHDCZZTONSCFM-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000280658933 521345801 /nfs/dbraw/zinc/34/58/01/521345801.db2.gz STCDRXZZARWOBQ-WBMJQRKESA-N 0 1 291.391 2.790 20 10 CFCDMN CCc1nnc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000290207289 522741489 /nfs/dbraw/zinc/74/14/89/522741489.db2.gz PONVLRPWUATLLO-ZETCQYMHSA-N 0 1 299.346 2.935 20 10 CFCDMN CN(CC[N@@H+](C)Cc1cccc(Cl)c1[O-])C1CC1 ZINC000290561650 522813846 /nfs/dbraw/zinc/81/38/46/522813846.db2.gz SKDITHLKCDZHEI-UHFFFAOYSA-N 0 1 268.788 2.572 20 10 CFCDMN CN(CC[N@H+](C)C1CC1)Cc1cccc(Cl)c1[O-] ZINC000290561650 522813853 /nfs/dbraw/zinc/81/38/53/522813853.db2.gz SKDITHLKCDZHEI-UHFFFAOYSA-N 0 1 268.788 2.572 20 10 CFCDMN CN(CC[N@@H+](C)C1CC1)Cc1cccc(Cl)c1[O-] ZINC000290561650 522813863 /nfs/dbraw/zinc/81/38/63/522813863.db2.gz SKDITHLKCDZHEI-UHFFFAOYSA-N 0 1 268.788 2.572 20 10 CFCDMN CCc1noc(C)c1CNCc1ccc(N(C)C)cc1 ZINC000292955871 522845441 /nfs/dbraw/zinc/84/54/41/522845441.db2.gz KZVJOZIYIAAOGD-UHFFFAOYSA-N 0 1 273.380 2.901 20 10 CFCDMN COC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293540454 522853337 /nfs/dbraw/zinc/85/33/37/522853337.db2.gz CVKBVEZPBDRFPM-SNVBAGLBSA-N 0 1 276.163 2.920 20 10 CFCDMN CC[C@@H](NCc1nccn1C)c1ccc(C)cc1O ZINC000280009053 522894634 /nfs/dbraw/zinc/89/46/34/522894634.db2.gz GNAZJKHATXZOQQ-CYBMUJFWSA-N 0 1 259.353 2.675 20 10 CFCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000193881973 523966666 /nfs/dbraw/zinc/96/66/66/523966666.db2.gz AXAVBWQJNXNQMW-JBLDHEPKSA-N 0 1 281.327 2.524 20 10 CFCDMN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000292944243 524432241 /nfs/dbraw/zinc/43/22/41/524432241.db2.gz IBLVURPPGIECFQ-YGRLFVJLSA-N 0 1 269.772 2.686 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000279696929 525307934 /nfs/dbraw/zinc/30/79/34/525307934.db2.gz QPAVIYAJBITFFE-AWEZNQCLSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc2ccccc2c1[O-] ZINC000037751513 525328643 /nfs/dbraw/zinc/32/86/43/525328643.db2.gz UYKNUQFAXCDWQS-LBPRGKRZSA-N 0 1 286.375 2.674 20 10 CFCDMN Cc1cccnc1CNCc1ccc2c(c1)CCO2 ZINC000071339924 525525683 /nfs/dbraw/zinc/52/56/83/525525683.db2.gz GOUASYMFAKTNRH-UHFFFAOYSA-N 0 1 254.333 2.615 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291309308 526326051 /nfs/dbraw/zinc/32/60/51/526326051.db2.gz RMUXGUSOIVJHBL-LBPRGKRZSA-N 0 1 277.755 2.689 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCOC[C@H]1CC(F)F ZINC000289771686 526327282 /nfs/dbraw/zinc/32/72/82/526327282.db2.gz RIEFIAUUADJKRB-SNVBAGLBSA-N 0 1 291.725 2.902 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365158564 526347402 /nfs/dbraw/zinc/34/74/02/526347402.db2.gz SCKSZLPRNWBFSU-MNOVXSKESA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365158564 526347404 /nfs/dbraw/zinc/34/74/04/526347404.db2.gz SCKSZLPRNWBFSU-MNOVXSKESA-N 0 1 298.789 2.901 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCOC1 ZINC000083552072 526363777 /nfs/dbraw/zinc/36/37/77/526363777.db2.gz OVUPTPCJBGWAQQ-SNVBAGLBSA-N 0 1 255.745 2.562 20 10 CFCDMN Oc1ccccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000289081099 526371638 /nfs/dbraw/zinc/37/16/38/526371638.db2.gz AWXLQQWBQIQBFC-CQSZACIVSA-N 0 1 257.337 2.843 20 10 CFCDMN c1nc2c(ncnc2NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000052007282 526608649 /nfs/dbraw/zinc/60/86/49/526608649.db2.gz QIGWTRBQGLZTMH-UHFFFAOYSA-N 0 1 294.362 2.565 20 10 CFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000736469073 574056934 /nfs/dbraw/zinc/05/69/34/574056934.db2.gz XUYHYJKPOJNPQN-UHFFFAOYSA-N 0 1 277.364 2.566 20 10 CFCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000754425931 574095194 /nfs/dbraw/zinc/09/51/94/574095194.db2.gz NPBYQRUPQSWSBM-JGVFFNPUSA-N 0 1 294.380 2.576 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737493507 574144873 /nfs/dbraw/zinc/14/48/73/574144873.db2.gz BTHDLUMTKOIKJV-OAHLLOKOSA-N 0 1 271.316 2.650 20 10 CFCDMN CN(C)c1ccc(CNCc2cccc(F)n2)cc1F ZINC000747937471 574220716 /nfs/dbraw/zinc/22/07/16/574220716.db2.gz HDUZWUXLQQSVBB-UHFFFAOYSA-N 0 1 277.318 2.716 20 10 CFCDMN CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000733330189 574222772 /nfs/dbraw/zinc/22/27/72/574222772.db2.gz RNGYFKAIRAZXQI-SNVBAGLBSA-N 0 1 283.677 2.713 20 10 CFCDMN CO[C@@H](CNCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000733330214 574223189 /nfs/dbraw/zinc/22/31/89/574223189.db2.gz SJKHXTITTZZGPW-LBPRGKRZSA-N 0 1 294.292 2.559 20 10 CFCDMN Cc1ccc2nc(CNCc3ccccc3O)cn2c1 ZINC000729680879 574227950 /nfs/dbraw/zinc/22/79/50/574227950.db2.gz DQNIFXPPUKIJDC-UHFFFAOYSA-N 0 1 267.332 2.638 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756400325 574234081 /nfs/dbraw/zinc/23/40/81/574234081.db2.gz JXWJGACDZDYCGZ-GHMZBOCLSA-N 0 1 296.361 2.805 20 10 CFCDMN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000748245815 574243070 /nfs/dbraw/zinc/24/30/70/574243070.db2.gz DRCYOFICSXQFGE-CQSZACIVSA-N 0 1 285.771 2.867 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756549446 574246366 /nfs/dbraw/zinc/24/63/66/574246366.db2.gz FSYVYFYTPLKKLE-GHMZBOCLSA-N 0 1 284.350 2.663 20 10 CFCDMN C[C@H]1C[C@H](NCc2cc[nH]n2)c2c1c(F)ccc2O ZINC000756554921 574246842 /nfs/dbraw/zinc/24/68/42/574246842.db2.gz KBBIYLYKCDKLOV-KWQFWETISA-N 0 1 261.300 2.593 20 10 CFCDMN CCn1cc(CN(C)Cc2cc(C)c(C)cc2O)cn1 ZINC000733790829 574255606 /nfs/dbraw/zinc/25/56/06/574255606.db2.gz RWTOPTLWCIBOKI-UHFFFAOYSA-N 0 1 273.380 2.857 20 10 CFCDMN C[C@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[S@](C)=O ZINC000756756915 574260646 /nfs/dbraw/zinc/26/06/46/574260646.db2.gz AKERCOVJVJJDPX-JJQCHNSYSA-N 0 1 289.828 2.853 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1[O-] ZINC000756771289 574261710 /nfs/dbraw/zinc/26/17/10/574261710.db2.gz UHEVQPDMVRJUCX-YUSALJHKSA-N 0 1 269.772 3.000 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000756770127 574261818 /nfs/dbraw/zinc/26/18/18/574261818.db2.gz SLMKDRGXJIQKRZ-BXKDBHETSA-N 0 1 269.772 2.857 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000756777458 574262338 /nfs/dbraw/zinc/26/23/38/574262338.db2.gz IOSLLGZSQREKRX-WDEREUQCSA-N 0 1 274.368 2.793 20 10 CFCDMN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000743500313 574367482 /nfs/dbraw/zinc/36/74/82/574367482.db2.gz WMFCWLPUTIUNFQ-GWCFXTLKSA-N 0 1 271.788 2.932 20 10 CFCDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086728318 600419986 /nfs/dbraw/zinc/41/99/86/600419986.db2.gz SIOYMHIIWVEVSJ-CYBMUJFWSA-N 0 1 285.343 2.842 20 10 CFCDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000833827838 605682187 /nfs/dbraw/zinc/68/21/87/605682187.db2.gz BCEGMNXVRYNVFQ-VHSXEESVSA-N 0 1 298.770 2.524 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000833662666 605930037 /nfs/dbraw/zinc/93/00/37/605930037.db2.gz JTSDYRFFMXIRHL-AWEZNQCLSA-N 0 1 293.363 2.620 20 10 CFCDMN CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759202 617836698 /nfs/dbraw/zinc/83/66/98/617836698.db2.gz GNKKICVVBDYXOK-JTQLQIEISA-N 0 1 298.814 2.829 20 10 CFCDMN O=C(NCc1cccc(Cl)c1O)C(F)(F)C(F)F ZINC000890759613 617836584 /nfs/dbraw/zinc/83/65/84/617836584.db2.gz DWIRFHAOTCUGFE-UHFFFAOYSA-N 0 1 285.624 2.562 20 10 CFCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000094797998 617858722 /nfs/dbraw/zinc/85/87/22/617858722.db2.gz BDBHYAJZZLGPBM-CYBMUJFWSA-N 0 1 255.745 2.704 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCn1ccnc1 ZINC000083552095 618024872 /nfs/dbraw/zinc/02/48/72/618024872.db2.gz ZEENDOFHEINJOZ-UHFFFAOYSA-N 0 1 279.771 2.812 20 10 CFCDMN C[C@H]1OCCN(Cc2cc3c(cc2O)CCCC3)[C@H]1C ZINC000160432805 618063789 /nfs/dbraw/zinc/06/37/89/618063789.db2.gz UKCZWKWPNUCAJU-QWHCGFSZSA-N 0 1 275.392 2.880 20 10 CFCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnco1 ZINC000309477797 618142920 /nfs/dbraw/zinc/14/29/20/618142920.db2.gz CLJDMDCTUZMNHE-UHFFFAOYSA-N 0 1 260.080 2.694 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000077253400 618203350 /nfs/dbraw/zinc/20/33/50/618203350.db2.gz SMRIUOJZEBELAY-OAHLLOKOSA-N 0 1 276.380 2.582 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894034178 618276322 /nfs/dbraw/zinc/27/63/22/618276322.db2.gz LXOKOSZVFYGGKU-NSHDSACASA-N 0 1 273.348 2.998 20 10 CFCDMN Cn1cccc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894043505 618286658 /nfs/dbraw/zinc/28/66/58/618286658.db2.gz QLDZMUINFRMMJL-UHFFFAOYSA-N 0 1 266.291 2.641 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894046656 618288386 /nfs/dbraw/zinc/28/83/86/618288386.db2.gz XWHMDTIBBCAGGX-BXUZGUMPSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894046656 618288389 /nfs/dbraw/zinc/28/83/89/618288389.db2.gz XWHMDTIBBCAGGX-BXUZGUMPSA-N 0 1 298.377 2.975 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCCCC[C@H]2CO)c(O)c1 ZINC000895151477 618394371 /nfs/dbraw/zinc/39/43/71/618394371.db2.gz JSXPTMMOSQFKSD-AWEZNQCLSA-N 0 1 279.380 2.528 20 10 CFCDMN COc1cccc(O)c1CNCc1cnc(Cl)s1 ZINC000895156483 618403713 /nfs/dbraw/zinc/40/37/13/618403713.db2.gz ZJCXTQZLXMDYHQ-UHFFFAOYSA-N 0 1 284.768 2.801 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000895156329 618403718 /nfs/dbraw/zinc/40/37/18/618403718.db2.gz UPUDJEWUNJWWJI-UHFFFAOYSA-N 0 1 283.734 2.501 20 10 CFCDMN COc1cc(C)cc(CNCc2nc(C)cs2)c1O ZINC000894165179 618411564 /nfs/dbraw/zinc/41/15/64/618411564.db2.gz JYKJJODXBXOBTE-UHFFFAOYSA-N 0 1 278.377 2.764 20 10 CFCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000895390349 618563268 /nfs/dbraw/zinc/56/32/68/618563268.db2.gz KNXKCIVNXKOECD-OCAPTIKFSA-N 0 1 286.144 2.746 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)CC(C)C)c(Cl)c1 ZINC000840886662 618680908 /nfs/dbraw/zinc/68/09/08/618680908.db2.gz KWBAMZMMFAVMFQ-NSHDSACASA-N 0 1 271.788 2.851 20 10 CFCDMN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)nc1 ZINC000892738574 618736590 /nfs/dbraw/zinc/73/65/90/618736590.db2.gz VZIIHIYKDNSPSN-UHFFFAOYSA-N 0 1 289.354 2.585 20 10 CFCDMN CCOC(=O)CN(Cc1cccc(C)c1O)CC(C)C ZINC000179751833 618855622 /nfs/dbraw/zinc/85/56/22/618855622.db2.gz YWCZWUZLPPYPPR-UHFFFAOYSA-N 0 1 279.380 2.722 20 10 CFCDMN CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000313013073 618972277 /nfs/dbraw/zinc/97/22/77/618972277.db2.gz CUVDCKFPJKNJNT-GFCCVEGCSA-N 0 1 255.745 2.560 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CO)CCCC2)c(Cl)c1 ZINC000840937632 619077668 /nfs/dbraw/zinc/07/76/68/619077668.db2.gz LFOXXOKSVKEWGU-UHFFFAOYSA-N 0 1 283.799 2.996 20 10 CFCDMN COc1cc(C)cc(CNCc2ccn(C(C)C)n2)c1O ZINC000894289340 619310331 /nfs/dbraw/zinc/31/03/31/619310331.db2.gz MOMFPNPIEDCYRQ-UHFFFAOYSA-N 0 1 289.379 2.776 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@@H]1F ZINC000894418889 619379690 /nfs/dbraw/zinc/37/96/90/619379690.db2.gz CLGTZJDBAPJVFN-PELKAZGASA-N 0 1 259.271 2.850 20 10 CFCDMN C/C=C\C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894563770 619418720 /nfs/dbraw/zinc/41/87/20/619418720.db2.gz WKSHFCQOLYTCCO-HSBHDXMMSA-N 0 1 299.317 2.658 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000894856589 619484888 /nfs/dbraw/zinc/48/48/88/619484888.db2.gz YXXCCMJLPSKRHP-ZDUSSCGKSA-N 0 1 283.318 2.550 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)c1ccccc1 ZINC000894884264 619497874 /nfs/dbraw/zinc/49/78/74/619497874.db2.gz VYUNCBBWKXCPTI-HNNXBMFYSA-N 0 1 293.313 2.836 20 10 CFCDMN CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895577598 619559003 /nfs/dbraw/zinc/55/90/03/619559003.db2.gz OFRHIGAHLPJALK-LBPRGKRZSA-N 0 1 275.270 2.545 20 10 CFCDMN COc1ccc2ccc(O)c(CN3CCOC[C@H]3C)c2c1 ZINC000025481137 619654939 /nfs/dbraw/zinc/65/49/39/619654939.db2.gz XUMAICRMLRRCBP-GFCCVEGCSA-N 0 1 287.359 2.775 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@H](C3OCCO3)C2)ccc2ccccc21 ZINC000896380421 619728992 /nfs/dbraw/zinc/72/89/92/619728992.db2.gz HNAJBQPSYPPWAR-HNNXBMFYSA-N 0 1 299.370 2.740 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H](C3OCCO3)C2)ccc2ccccc21 ZINC000896380421 619728994 /nfs/dbraw/zinc/72/89/94/619728994.db2.gz HNAJBQPSYPPWAR-HNNXBMFYSA-N 0 1 299.370 2.740 20 10 CFCDMN Oc1ccccc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC000896455983 619742000 /nfs/dbraw/zinc/74/20/00/619742000.db2.gz MOYBOPQUHKXWQS-LLVKDONJSA-N 0 1 277.311 2.872 20 10 CFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000896962675 619905489 /nfs/dbraw/zinc/90/54/89/619905489.db2.gz QAPHOHMNLLRTQJ-AWEZNQCLSA-N 0 1 299.370 2.930 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000897068844 619925050 /nfs/dbraw/zinc/92/50/50/619925050.db2.gz ZAHUVAGJNBOEHY-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841743074 620178208 /nfs/dbraw/zinc/17/82/08/620178208.db2.gz CATNXMGMLBCOHB-GXSJLCMTSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(Cl)cc1[O-] ZINC000841743758 620181697 /nfs/dbraw/zinc/18/16/97/620181697.db2.gz BYAUWXVCEFARFK-WDEREUQCSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+]Cc1cncn1C)c1ccc(Cl)cc1[O-] ZINC000841752988 620234485 /nfs/dbraw/zinc/23/44/85/620234485.db2.gz DKFAHLBAZPWRJP-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN [O-]c1c(C[NH2+]CC[C@H](O)C2CC2)ccc2ccccc21 ZINC000898198999 620353543 /nfs/dbraw/zinc/35/35/43/620353543.db2.gz XWOHSNSVADQUIP-INIZCTEOSA-N 0 1 271.360 2.796 20 10 CFCDMN CCN[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841065025 620434433 /nfs/dbraw/zinc/43/44/33/620434433.db2.gz GLHCCFCTMGTSRI-MRVPVSSYSA-N 0 1 277.195 2.787 20 10 CFCDMN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1C ZINC000841795147 620469158 /nfs/dbraw/zinc/46/91/58/620469158.db2.gz HIOAUTOLLIDAOS-AWEZNQCLSA-N 0 1 291.372 2.981 20 10 CFCDMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1C ZINC000841795149 620469633 /nfs/dbraw/zinc/46/96/33/620469633.db2.gz HIOAUTOLLIDAOS-CQSZACIVSA-N 0 1 291.372 2.981 20 10 CFCDMN CC[C@H](NCc1csc(N)n1)c1ccc(C)cc1O ZINC000902499379 621105221 /nfs/dbraw/zinc/10/52/21/621105221.db2.gz OCPZUHKKEXRHIF-LBPRGKRZSA-N 0 1 277.393 2.980 20 10 CFCDMN CO[C@H]1CC[C@@H]1[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639225 621140680 /nfs/dbraw/zinc/14/06/80/621140680.db2.gz PBZBCGRLGDYNPY-HOCLYGCPSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000902639225 621140681 /nfs/dbraw/zinc/14/06/81/621140681.db2.gz PBZBCGRLGDYNPY-HOCLYGCPSA-N 0 1 272.348 2.550 20 10 CFCDMN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000903297213 621313011 /nfs/dbraw/zinc/31/30/11/621313011.db2.gz SAERHWVPOVFQHB-MRCXROJRSA-N 0 1 285.771 2.500 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2cn(C)cn2)c(O)c1C ZINC000903351401 621342879 /nfs/dbraw/zinc/34/28/79/621342879.db2.gz KUAUZSOYIXKGLJ-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000903392238 621351836 /nfs/dbraw/zinc/35/18/36/621351836.db2.gz PLJBLERVFHHMIF-GWCFXTLKSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903394949 621353212 /nfs/dbraw/zinc/35/32/12/621353212.db2.gz ILTSDBRSRDJDJE-PTRXPTGYSA-N 0 1 255.745 2.731 20 10 CFCDMN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000903387466 621358202 /nfs/dbraw/zinc/35/82/02/621358202.db2.gz GTBXNCURJOHITB-GXFFZTMASA-N 0 1 296.798 2.707 20 10 CFCDMN COc1cc(C)cc(CN2CCOC[C@H]2CC(C)C)c1O ZINC000164334239 622948941 /nfs/dbraw/zinc/94/89/41/622948941.db2.gz ACLKOFDAGJWAAL-OAHLLOKOSA-N 0 1 293.407 2.956 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1Cl ZINC000825732781 623109841 /nfs/dbraw/zinc/10/98/41/623109841.db2.gz XMNKRPRGNOPEQO-CYBMUJFWSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1Cl ZINC000825732781 623109847 /nfs/dbraw/zinc/10/98/47/623109847.db2.gz XMNKRPRGNOPEQO-CYBMUJFWSA-N 0 1 269.772 2.557 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CCC(O)CC1 ZINC000227630777 623114593 /nfs/dbraw/zinc/11/45/93/623114593.db2.gz JVVJCJRDYILFFW-UHFFFAOYSA-N 0 1 269.772 2.686 20 10 CFCDMN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000227830070 623120631 /nfs/dbraw/zinc/12/06/31/623120631.db2.gz SJETZJLWXBECEI-OLZOCXBDSA-N 0 1 269.772 2.949 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000228555696 623149976 /nfs/dbraw/zinc/14/99/76/623149976.db2.gz BDQNQIYLOVPDPS-VIFPVBQESA-N 0 1 257.786 2.888 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230669597 623289601 /nfs/dbraw/zinc/28/96/01/623289601.db2.gz MZOXLHNOKOWFFR-GWCFXTLKSA-N 0 1 269.772 2.686 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000230663723 623291232 /nfs/dbraw/zinc/29/12/32/623291232.db2.gz WMBPJRDDJFEYIR-GMXVVIOVSA-N 0 1 267.344 2.733 20 10 CFCDMN CCC[N@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824522772 623516273 /nfs/dbraw/zinc/51/62/73/623516273.db2.gz RPFXPARUVYZDAV-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN CCC[N@@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824522772 623516275 /nfs/dbraw/zinc/51/62/75/623516275.db2.gz RPFXPARUVYZDAV-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC3(CC3)C2)c1[O-] ZINC000824533542 623518520 /nfs/dbraw/zinc/51/85/20/623518520.db2.gz HHWUCVWPXPMZGW-UHFFFAOYSA-N 0 1 268.700 2.550 20 10 CFCDMN Cc1cc(O)c(CN2CCCOCC2)cc1Cl ZINC000824596119 623530191 /nfs/dbraw/zinc/53/01/91/623530191.db2.gz ANFMSLDDUZDAEV-UHFFFAOYSA-N 0 1 255.745 2.576 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000824632699 623535178 /nfs/dbraw/zinc/53/51/78/623535178.db2.gz QORACMCOVIIGGG-GFCCVEGCSA-N 0 1 296.798 2.584 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000824632699 623535182 /nfs/dbraw/zinc/53/51/82/623535182.db2.gz QORACMCOVIIGGG-GFCCVEGCSA-N 0 1 296.798 2.584 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000824815740 623570578 /nfs/dbraw/zinc/57/05/78/623570578.db2.gz YAWJFVUDOUDFDG-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000824815740 623570583 /nfs/dbraw/zinc/57/05/83/623570583.db2.gz YAWJFVUDOUDFDG-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(O)CC2)cc1Cl ZINC000824818200 623572227 /nfs/dbraw/zinc/57/22/27/623572227.db2.gz HICWLJJVMYBEIF-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017801 623608007 /nfs/dbraw/zinc/60/80/07/623608007.db2.gz YWDORYIRWMXAEP-MJVIPROJSA-N 0 1 287.363 2.954 20 10 CFCDMN Cc1ccc(O)c(CN[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017174 623608355 /nfs/dbraw/zinc/60/83/55/623608355.db2.gz NKOZSKOMAYEBTO-DGCLKSJQSA-N 0 1 257.337 2.693 20 10 CFCDMN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000825040283 623613418 /nfs/dbraw/zinc/61/34/18/623613418.db2.gz FHTDVPQJRMHMCR-OLZOCXBDSA-N 0 1 297.782 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(C)C)cc1Cl ZINC000825288299 623664806 /nfs/dbraw/zinc/66/48/06/623664806.db2.gz PTMQSTYJPNKYKK-CQSZACIVSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1Cl ZINC000825298200 623665395 /nfs/dbraw/zinc/66/53/95/623665395.db2.gz WZLUSCVMFVTBON-GFCCVEGCSA-N 0 1 291.782 2.724 20 10 CFCDMN CCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825292477 623665581 /nfs/dbraw/zinc/66/55/81/623665581.db2.gz WKUYBKSFZQFEBY-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292605 623666160 /nfs/dbraw/zinc/66/61/60/623666160.db2.gz ZKGJVWHMBQJKPO-RNCFNFMXSA-N 0 1 289.828 2.556 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)C[C@H](C)O)cc1Cl ZINC000825303997 623666878 /nfs/dbraw/zinc/66/68/78/623666878.db2.gz PEJTWQGEIDJDQM-ONGXEEELSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCO[C@@H]2CCOC2)cc1Cl ZINC000825337859 623675929 /nfs/dbraw/zinc/67/59/29/623675929.db2.gz PKYXNGUXRPFHIS-CYBMUJFWSA-N 0 1 299.798 2.639 20 10 CFCDMN CC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825341288 623678033 /nfs/dbraw/zinc/67/80/33/623678033.db2.gz FZGZRJUGNQWIGF-AWEZNQCLSA-N 0 1 271.788 2.995 20 10 CFCDMN COCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825366083 623680860 /nfs/dbraw/zinc/68/08/60/623680860.db2.gz ROWMLKGPLSYHDK-UHFFFAOYSA-N 0 1 255.745 2.623 20 10 CFCDMN CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825391536 623684648 /nfs/dbraw/zinc/68/46/48/623684648.db2.gz XTSKXGGZHFIYDH-ZDUSSCGKSA-N 0 1 298.814 2.604 20 10 CFCDMN COCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000825726001 623746790 /nfs/dbraw/zinc/74/67/90/623746790.db2.gz CXRMPFJROIQOQT-ZDUSSCGKSA-N 0 1 299.798 2.591 20 10 CFCDMN COCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000825726001 623746796 /nfs/dbraw/zinc/74/67/96/623746796.db2.gz CXRMPFJROIQOQT-ZDUSSCGKSA-N 0 1 299.798 2.591 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152828062 623781490 /nfs/dbraw/zinc/78/14/90/623781490.db2.gz UHCMWTSPRUOKPP-WZRBSPASSA-N 0 1 298.180 2.564 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043989 623786427 /nfs/dbraw/zinc/78/64/27/623786427.db2.gz XAJMWZPOBNBTTE-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043989 623786431 /nfs/dbraw/zinc/78/64/31/623786431.db2.gz XAJMWZPOBNBTTE-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043991 623786902 /nfs/dbraw/zinc/78/69/02/623786902.db2.gz XAJMWZPOBNBTTE-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000826043991 623786898 /nfs/dbraw/zinc/78/68/98/623786898.db2.gz XAJMWZPOBNBTTE-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C[C@@H](C)O)C2CC2)cc1Cl ZINC000826538960 623804261 /nfs/dbraw/zinc/80/42/61/623804261.db2.gz MKBHDCGWPXTSMK-SNVBAGLBSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@@H](C)O)C2CC2)cc1Cl ZINC000826538960 623804265 /nfs/dbraw/zinc/80/42/65/623804265.db2.gz MKBHDCGWPXTSMK-SNVBAGLBSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@@H](C)O)C2CC2)cc1Cl ZINC000826538960 623804270 /nfs/dbraw/zinc/80/42/70/623804270.db2.gz MKBHDCGWPXTSMK-SNVBAGLBSA-N 0 1 269.772 2.699 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@](C)(C3CC3)C2)c1O ZINC000826877575 623901440 /nfs/dbraw/zinc/90/14/40/623901440.db2.gz JLLYZFKVVBMBIS-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CC2(F)F)cc1Cl ZINC000827072430 623935742 /nfs/dbraw/zinc/93/57/42/623935742.db2.gz JOYSGRAZYRMCEO-LBPRGKRZSA-N 0 1 291.725 2.868 20 10 CFCDMN CCc1cccc(CNCc2nccc(OC)c2F)c1O ZINC000827260433 623977012 /nfs/dbraw/zinc/97/70/12/623977012.db2.gz NOXGOQVXVOZWIY-UHFFFAOYSA-N 0 1 290.338 2.787 20 10 CFCDMN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000827500712 624018578 /nfs/dbraw/zinc/01/85/78/624018578.db2.gz IFRPEWYAHZAIQY-OKILXGFUSA-N 0 1 285.343 2.587 20 10 CFCDMN Oc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506023 624019296 /nfs/dbraw/zinc/01/92/96/624019296.db2.gz BEYLOUFWOCATGS-UWVGGRQHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506023 624019298 /nfs/dbraw/zinc/01/92/98/624019298.db2.gz BEYLOUFWOCATGS-UWVGGRQHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506023 624019299 /nfs/dbraw/zinc/01/92/99/624019299.db2.gz BEYLOUFWOCATGS-UWVGGRQHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](CCO)C1CC1 ZINC000153611503 624046276 /nfs/dbraw/zinc/04/62/76/624046276.db2.gz IPPPNUJKDOQCLF-UHFFFAOYSA-N 0 1 276.163 2.656 20 10 CFCDMN Cc1nc(CN(C)Cc2cc(Cl)cc(F)c2O)no1 ZINC000827891176 624121298 /nfs/dbraw/zinc/12/12/98/624121298.db2.gz CCTGWQLQEOFTAP-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN Oc1ccc(F)cc1CN1CCN(c2ccccc2)CC1 ZINC000179865872 624981567 /nfs/dbraw/zinc/98/15/67/624981567.db2.gz PHXDGXINXMTZMX-UHFFFAOYSA-N 0 1 286.350 2.854 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1cc(F)ccc1O ZINC000179940809 624986059 /nfs/dbraw/zinc/98/60/59/624986059.db2.gz ITNFQBVZAMWDTN-UHFFFAOYSA-N 0 1 264.300 2.768 20 10 CFCDMN CC(C)C[C@@H]1COCCN1Cc1cc(F)ccc1O ZINC000180140488 625000308 /nfs/dbraw/zinc/00/03/08/625000308.db2.gz WUBXRNSEICPFTR-CQSZACIVSA-N 0 1 267.344 2.778 20 10 CFCDMN CC(C)n1ccc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000834592403 625730482 /nfs/dbraw/zinc/73/04/82/625730482.db2.gz AAFJGOHOGOZPIO-CQSZACIVSA-N 0 1 271.364 2.947 20 10 CFCDMN CN(C)c1nc(CN[C@H]2CCc3cccc(O)c32)cs1 ZINC000834611743 625734565 /nfs/dbraw/zinc/73/45/65/625734565.db2.gz OAHIDEFVRYQQKL-LBPRGKRZSA-N 0 1 289.404 2.692 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(F)ccc1[O-] ZINC000185722792 625767201 /nfs/dbraw/zinc/76/72/01/625767201.db2.gz WLZYZAYQOWRMIV-NQBHXWOUSA-N 0 1 267.344 2.733 20 10 CFCDMN C[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769568 625844250 /nfs/dbraw/zinc/84/42/50/625844250.db2.gz NTGFUZUOUNQHJA-IUODEOHRSA-N 0 1 270.380 2.745 20 10 CFCDMN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834880631 625907291 /nfs/dbraw/zinc/90/72/91/625907291.db2.gz LCXNYFLTQLIHBX-FIXISWKDSA-N 0 1 299.798 2.748 20 10 CFCDMN c1cc2c(c(CNCc3ccc4c(c3)CCO4)c1)OCC2 ZINC000921649495 626045318 /nfs/dbraw/zinc/04/53/18/626045318.db2.gz JBFOANJCGRLTSA-UHFFFAOYSA-N 0 1 281.355 2.846 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000851709485 634481202 /nfs/dbraw/zinc/48/12/02/634481202.db2.gz ZQRZRDJDQXMTOP-WWGRRREGSA-N 0 1 290.407 2.826 20 10 CFCDMN Fc1ccc(CNCc2ccc3c(c2)CCCO3)nc1 ZINC000921855398 626167972 /nfs/dbraw/zinc/16/79/72/626167972.db2.gz SSNNDGHXDCIXCU-UHFFFAOYSA-N 0 1 272.323 2.836 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)[C@H]2C)c(Cl)c1 ZINC000922555592 626310298 /nfs/dbraw/zinc/31/02/98/626310298.db2.gz UPCULDASEWQEDJ-GWCFXTLKSA-N 0 1 268.788 2.536 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1N(C)C ZINC000923250741 626459714 /nfs/dbraw/zinc/45/97/14/626459714.db2.gz TWXSXLRCNSSQLV-SWLSCSKDSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1N(C)C ZINC000923249181 626459838 /nfs/dbraw/zinc/45/98/38/626459838.db2.gz MIUPGQSXUUUVRG-WBMJQRKESA-N 0 1 290.407 2.746 20 10 CFCDMN c1cc(CNCc2cnc(C3CC3)nc2)cc2c1OCC2 ZINC000838923808 626514159 /nfs/dbraw/zinc/51/41/59/626514159.db2.gz WSQDHJUGUHZZIT-UHFFFAOYSA-N 0 1 281.359 2.579 20 10 CFCDMN COc1cccc(O)c1CN1CC(CC(F)(F)F)C1 ZINC000839139217 626528317 /nfs/dbraw/zinc/52/83/17/626528317.db2.gz YPDCCHCLXQTRIX-UHFFFAOYSA-N 0 1 275.270 2.785 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839138487 626528367 /nfs/dbraw/zinc/52/83/67/626528367.db2.gz MDCGBTBTPCOTLX-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN Oc1ccc(Cl)cc1CN1CC2(C1)CCCOC2 ZINC000839138487 626528368 /nfs/dbraw/zinc/52/83/68/626528368.db2.gz MDCGBTBTPCOTLX-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191143 626530746 /nfs/dbraw/zinc/53/07/46/626530746.db2.gz FGAUKRPURCBLIE-UWVGGRQHSA-N 0 1 273.760 2.874 20 10 CFCDMN C[C@@H](NCc1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000839193143 626530873 /nfs/dbraw/zinc/53/08/73/626530873.db2.gz YVGYKUUUVOGNHF-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000759836846 626695082 /nfs/dbraw/zinc/69/50/82/626695082.db2.gz LVZKFVLPYJQVFG-GHMZBOCLSA-N 0 1 269.772 2.950 20 10 CFCDMN CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Cl)cc(F)c1O ZINC000768274854 627329920 /nfs/dbraw/zinc/32/99/20/627329920.db2.gz UTKNOLGELOFYHT-GFCCVEGCSA-N 0 1 298.745 2.558 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000768438604 627343433 /nfs/dbraw/zinc/34/34/33/627343433.db2.gz VLMBUQXLPJTSEE-INIZCTEOSA-N 0 1 291.391 2.973 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000768438604 627343436 /nfs/dbraw/zinc/34/34/36/627343436.db2.gz VLMBUQXLPJTSEE-INIZCTEOSA-N 0 1 291.391 2.973 20 10 CFCDMN COc1cc(CN2CCOC(C)(C)[C@@H]2C)c(O)cc1C ZINC000768461901 627344865 /nfs/dbraw/zinc/34/48/65/627344865.db2.gz HHJLDHIVSZXJNK-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)O[C@@H](CC)C2)c(O)c1 ZINC000769108047 627403507 /nfs/dbraw/zinc/40/35/07/627403507.db2.gz XIEJVRRKLHBPLF-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000769389671 627433154 /nfs/dbraw/zinc/43/31/54/627433154.db2.gz LXDWTPCQQKUOKV-GFCCVEGCSA-N 0 1 273.332 2.983 20 10 CFCDMN CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769399494 627434392 /nfs/dbraw/zinc/43/43/92/627434392.db2.gz SPCXCCSPKUWXJM-KRWDZBQOSA-N 0 1 276.424 3.000 20 10 CFCDMN CC(C)C[C@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000769399494 627434393 /nfs/dbraw/zinc/43/43/93/627434393.db2.gz SPCXCCSPKUWXJM-KRWDZBQOSA-N 0 1 276.424 3.000 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000769513827 627449797 /nfs/dbraw/zinc/44/97/97/627449797.db2.gz FOEGLJWHBVPBIR-UKRRQHHQSA-N 0 1 291.391 2.649 20 10 CFCDMN C[C@H]1COCCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000772823281 627749125 /nfs/dbraw/zinc/74/91/25/627749125.db2.gz KMXZIEVFAUPXJI-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H]1COCCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000772823281 627749126 /nfs/dbraw/zinc/74/91/26/627749126.db2.gz KMXZIEVFAUPXJI-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000773108551 627784530 /nfs/dbraw/zinc/78/45/30/627784530.db2.gz ZTAAQMICDVQWKG-CYBMUJFWSA-N 0 1 270.380 2.702 20 10 CFCDMN C/C(=C/c1ccc(N2CCN(C)CC2)cc1)c1cnccn1 ZINC000774130700 627891723 /nfs/dbraw/zinc/89/17/23/627891723.db2.gz NFTDWDLAFXJZCM-SQFISAMPSA-N 0 1 294.402 2.789 20 10 CFCDMN C[C@@H](N[C@@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000774482479 627931619 /nfs/dbraw/zinc/93/16/19/627931619.db2.gz GMAICHUCOQTDSE-OLZOCXBDSA-N 0 1 270.380 2.954 20 10 CFCDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904665 627978070 /nfs/dbraw/zinc/97/80/70/627978070.db2.gz IXRZEOWGITWREF-ZYHUDNBSSA-N 0 1 294.351 2.929 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000775160133 627996739 /nfs/dbraw/zinc/99/67/39/627996739.db2.gz VSFBXVCBALBAHD-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN CC[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775498379 628032388 /nfs/dbraw/zinc/03/23/88/628032388.db2.gz YSZNUTDNSOXXDA-ZDUSSCGKSA-N 0 1 298.814 2.955 20 10 CFCDMN CC[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775504281 628032420 /nfs/dbraw/zinc/03/24/20/628032420.db2.gz XGTKSUXWRLCOCT-LLVKDONJSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](COC)OC)c1cc(Cl)ccc1[O-] ZINC000775546843 628035761 /nfs/dbraw/zinc/03/57/61/628035761.db2.gz LMZLFCKKCNCRHK-AAEUAGOBSA-N 0 1 287.787 2.748 20 10 CFCDMN CC[C@@H]([NH2+]CCCn1ccnn1)c1cc(Cl)ccc1[O-] ZINC000775551043 628036078 /nfs/dbraw/zinc/03/60/78/628036078.db2.gz GVBNCIOHYPRPFI-CYBMUJFWSA-N 0 1 294.786 2.768 20 10 CFCDMN C[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775653294 628050020 /nfs/dbraw/zinc/05/00/20/628050020.db2.gz CTDFVBZHJTZVER-BDAKNGLRSA-N 0 1 273.735 2.794 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000775680820 628054981 /nfs/dbraw/zinc/05/49/81/628054981.db2.gz JPBXDLZGYKHIIV-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(O)CCCC1 ZINC000775706676 628057640 /nfs/dbraw/zinc/05/76/40/628057640.db2.gz CAANKBBQDAZXKI-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2cccc(C)n2)c1 ZINC000775716621 628058786 /nfs/dbraw/zinc/05/87/86/628058786.db2.gz YOXJDKMAKNMJIP-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1F ZINC000779150894 628355861 /nfs/dbraw/zinc/35/58/61/628355861.db2.gz STSGCYPDEFZQRR-RHSMWYFYSA-N 0 1 292.398 2.703 20 10 CFCDMN CCOc1ccc(O)c(CN2CC[C@H](C)[C@@H](F)C2)c1 ZINC000779149795 628356375 /nfs/dbraw/zinc/35/63/75/628356375.db2.gz PFJNUQUTZBIFER-FZMZJTMJSA-N 0 1 267.344 2.971 20 10 CFCDMN COc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c(O)cc1C ZINC000783544010 628718734 /nfs/dbraw/zinc/71/87/34/628718734.db2.gz NZKWUBOHJIUFCU-XQQFMLRXSA-N 0 1 279.380 2.707 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783742738 628740176 /nfs/dbraw/zinc/74/01/76/628740176.db2.gz OUVMGBGMFSHWKQ-RNCFNFMXSA-N 0 1 288.174 2.513 20 10 CFCDMN Cc1nc(NC(=O)c2c(F)ccc(O)c2O)sc1C ZINC000789960737 629200254 /nfs/dbraw/zinc/20/02/54/629200254.db2.gz SYPWBTCGUXVZFL-UHFFFAOYSA-N 0 1 282.296 2.563 20 10 CFCDMN COc1ccc(CNCc2cnc3n2CCCC3)cc1C ZINC000790637708 629254135 /nfs/dbraw/zinc/25/41/35/629254135.db2.gz MGXUXUALIIKCNW-UHFFFAOYSA-N 0 1 285.391 2.826 20 10 CFCDMN COc1cccnc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835053527 629354916 /nfs/dbraw/zinc/35/49/16/629354916.db2.gz DCPXZNFVADPYBN-XQRVVYSFSA-N 0 1 297.402 2.959 20 10 CFCDMN CN(C)c1ccc(C=CCNCc2n[nH]c(C3CC3)n2)cc1 ZINC000835055252 629359977 /nfs/dbraw/zinc/35/99/77/629359977.db2.gz SOAQNTOVBZOFSK-ONEGZZNKSA-N 0 1 297.406 2.551 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000792167179 629404395 /nfs/dbraw/zinc/40/43/95/629404395.db2.gz DBZXMXYGVZZXDT-NSHDSACASA-N 0 1 298.789 2.853 20 10 CFCDMN CC(C)n1nccc1CNCc1ccc2c(c1)CCO2 ZINC000792951348 629469954 /nfs/dbraw/zinc/46/99/54/629469954.db2.gz RQXBIIZVSRVKJI-UHFFFAOYSA-N 0 1 271.364 2.689 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c(O)c1 ZINC000793214393 629506379 /nfs/dbraw/zinc/50/63/79/629506379.db2.gz OBKNIZOJCZRYSD-SJKOYZFVSA-N 0 1 291.391 2.790 20 10 CFCDMN COc1cccc(CN(C)Cc2cnccc2C)c1O ZINC000793342283 629528785 /nfs/dbraw/zinc/52/87/85/629528785.db2.gz XEBGVWYLKCKOKQ-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN COc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c(O)cc1C ZINC000794647358 629670568 /nfs/dbraw/zinc/67/05/68/629670568.db2.gz ONRDRMDTHDLQMO-PXAZEXFGSA-N 0 1 291.391 2.709 20 10 CFCDMN CC[C@H](NCc1ccn(C)n1)c1ccc(C)cc1O ZINC000794816599 629690168 /nfs/dbraw/zinc/69/01/68/629690168.db2.gz NWDWCPRLGFWTQX-AWEZNQCLSA-N 0 1 259.353 2.675 20 10 CFCDMN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2C)nn1C ZINC000800478780 630390189 /nfs/dbraw/zinc/39/01/89/630390189.db2.gz RZLYPWAZKMOYMM-AWEZNQCLSA-N 0 1 286.423 2.954 20 10 CFCDMN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000802652057 630535385 /nfs/dbraw/zinc/53/53/85/630535385.db2.gz JEKZCOLOQPTUNH-GFCCVEGCSA-N 0 1 299.798 2.673 20 10 CFCDMN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000802652057 630535386 /nfs/dbraw/zinc/53/53/86/630535386.db2.gz JEKZCOLOQPTUNH-GFCCVEGCSA-N 0 1 299.798 2.673 20 10 CFCDMN CC(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836819 630912800 /nfs/dbraw/zinc/91/28/00/630912800.db2.gz QLWZKFHJNNDTKG-UHFFFAOYSA-N 0 1 262.136 2.971 20 10 CFCDMN CCO[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840059 630913101 /nfs/dbraw/zinc/91/31/01/630913101.db2.gz WTQGZSKJXCRPHU-SSDOTTSWSA-N 0 1 292.162 2.740 20 10 CFCDMN CC[C@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840899269 631255243 /nfs/dbraw/zinc/25/52/43/631255243.db2.gz JSCLZISQMTXFHB-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)C[C@H](C)O)c(Cl)c1 ZINC000840898868 631255751 /nfs/dbraw/zinc/25/57/51/631255751.db2.gz GTSXLPJITKNOAW-QWRGUYRKSA-N 0 1 271.788 2.851 20 10 CFCDMN CS[C@H](CO)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900437 631256749 /nfs/dbraw/zinc/25/67/49/631256749.db2.gz RYKDLFATGGGGAT-NOZJJQNGSA-N 0 1 289.828 2.556 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000840903402 631256803 /nfs/dbraw/zinc/25/68/03/631256803.db2.gz CEHLZWYJBUJKTK-GXFFZTMASA-N 0 1 269.772 2.605 20 10 CFCDMN CC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840911394 631261334 /nfs/dbraw/zinc/26/13/34/631261334.db2.gz YZORLTBLQWKJCG-OAHLLOKOSA-N 0 1 262.397 2.672 20 10 CFCDMN CC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1C ZINC000840911394 631261337 /nfs/dbraw/zinc/26/13/37/631261337.db2.gz YZORLTBLQWKJCG-OAHLLOKOSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCOC[C@H](C)C2)c(Cl)c1 ZINC000840917807 631263901 /nfs/dbraw/zinc/26/39/01/631263901.db2.gz NCSCRKSWCICHFX-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)c(Cl)c1 ZINC000840917807 631263907 /nfs/dbraw/zinc/26/39/07/631263907.db2.gz NCSCRKSWCICHFX-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000809701489 631267036 /nfs/dbraw/zinc/26/70/36/631267036.db2.gz YAVYIMOVGWTOAK-KBPBESRZSA-N 0 1 293.407 2.916 20 10 CFCDMN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000809701489 631267038 /nfs/dbraw/zinc/26/70/38/631267038.db2.gz YAVYIMOVGWTOAK-KBPBESRZSA-N 0 1 293.407 2.916 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)[C@H]1C ZINC000840942223 631274102 /nfs/dbraw/zinc/27/41/02/631274102.db2.gz VUUQMKWJOWIPEG-QWRGUYRKSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)[C@H]1C ZINC000840942223 631274110 /nfs/dbraw/zinc/27/41/10/631274110.db2.gz VUUQMKWJOWIPEG-QWRGUYRKSA-N 0 1 297.782 2.737 20 10 CFCDMN CCOC(=O)c1ccc(CNCc2cccc(C)c2O)o1 ZINC000809742639 631276281 /nfs/dbraw/zinc/27/62/81/631276281.db2.gz CBOVWKRGSAMHHG-UHFFFAOYSA-N 0 1 289.331 2.760 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC000840948979 631276996 /nfs/dbraw/zinc/27/69/96/631276996.db2.gz LFFHRTBOYNONEI-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC000840948979 631277000 /nfs/dbraw/zinc/27/70/00/631277000.db2.gz LFFHRTBOYNONEI-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN COc1ccncc1CNCc1ccc(N(C)C)cc1C ZINC000840949745 631277979 /nfs/dbraw/zinc/27/79/79/631277979.db2.gz CAUCBAWMAPHCMI-UHFFFAOYSA-N 0 1 285.391 2.754 20 10 CFCDMN CCOC1CC([N@@H+](C)Cc2cccc(F)c2[O-])C1 ZINC000809773371 631286518 /nfs/dbraw/zinc/28/65/18/631286518.db2.gz BYNJMNVAVAPMLA-UHFFFAOYSA-N 0 1 253.317 2.531 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(C)C ZINC000840967797 631288098 /nfs/dbraw/zinc/28/80/98/631288098.db2.gz RHJRSSISTWPFCT-JSGCOSHPSA-N 0 1 271.788 2.931 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000840995417 631296702 /nfs/dbraw/zinc/29/67/02/631296702.db2.gz JHUSPQCPEUARJD-OAHLLOKOSA-N 0 1 294.370 2.721 20 10 CFCDMN C[C@@H](C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000840999544 631299011 /nfs/dbraw/zinc/29/90/11/631299011.db2.gz YTKWIRIDTDQRHZ-AWEZNQCLSA-N 0 1 290.407 2.829 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220500 631346780 /nfs/dbraw/zinc/34/67/80/631346780.db2.gz YYKIDSCFYDXOFX-KWQFWETISA-N 0 1 277.286 2.833 20 10 CFCDMN COCC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000810256686 631350576 /nfs/dbraw/zinc/35/05/76/631350576.db2.gz DVENBJSVDJIWJH-ZYHUDNBSSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+]CCn1cccn1)c1ccc(Cl)cc1[O-] ZINC000841748091 631464206 /nfs/dbraw/zinc/46/42/06/631464206.db2.gz ISYOHYMRMKEPLV-JTQLQIEISA-N 0 1 265.744 2.593 20 10 CFCDMN C[C@H]([NH2+]Cc1nccn1C)c1ccc(Cl)cc1[O-] ZINC000841748223 631464288 /nfs/dbraw/zinc/46/42/88/631464288.db2.gz WJEIUYBNUMUATO-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Cl)cc1[O-] ZINC000841754140 631467248 /nfs/dbraw/zinc/46/72/48/631467248.db2.gz ZVFXXTKXDFDUOP-VIFPVBQESA-N 0 1 285.771 2.848 20 10 CFCDMN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765584 631469859 /nfs/dbraw/zinc/46/98/59/631469859.db2.gz ZXMKIKDJXUAZQG-TVQRCGJNSA-N 0 1 257.761 2.857 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812295441 631685633 /nfs/dbraw/zinc/68/56/33/631685633.db2.gz YLGDWOCZKKWWDK-AWEZNQCLSA-N 0 1 294.358 2.584 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812295441 631685637 /nfs/dbraw/zinc/68/56/37/631685637.db2.gz YLGDWOCZKKWWDK-AWEZNQCLSA-N 0 1 294.358 2.584 20 10 CFCDMN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000842721899 631717097 /nfs/dbraw/zinc/71/70/97/631717097.db2.gz XSLJXQBANLQLMB-GFCCVEGCSA-N 0 1 296.798 2.535 20 10 CFCDMN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842755492 631729954 /nfs/dbraw/zinc/72/99/54/631729954.db2.gz ZTWDABFDHULCQO-GWCFXTLKSA-N 0 1 271.788 2.932 20 10 CFCDMN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000842911700 631780279 /nfs/dbraw/zinc/78/02/79/631780279.db2.gz MGQAOCFXEBYNGJ-HFBAOOFYSA-N 0 1 287.359 2.610 20 10 CFCDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(N)cc1 ZINC000843292811 631920492 /nfs/dbraw/zinc/92/04/92/631920492.db2.gz NHJPSNXNUZFHPF-UHFFFAOYSA-N 0 1 258.325 2.676 20 10 CFCDMN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844376487 632185379 /nfs/dbraw/zinc/18/53/79/632185379.db2.gz CSSHKPHHNVMGIA-BMIGLBTASA-N 0 1 297.370 2.621 20 10 CFCDMN CCc1nocc1CNCc1ccc(N(C)C)cc1C ZINC000815124536 632207661 /nfs/dbraw/zinc/20/76/61/632207661.db2.gz CBYUUIDZBBQMMQ-UHFFFAOYSA-N 0 1 273.380 2.901 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)[C@@H](C)CO1 ZINC000844733289 632291829 /nfs/dbraw/zinc/29/18/29/632291829.db2.gz SDCXXBJBNXZLFM-GXTWGEPZSA-N 0 1 279.380 2.709 20 10 CFCDMN CN(C)c1ccc(CNCc2cn3ccccc3n2)cc1 ZINC000105814389 632391367 /nfs/dbraw/zinc/39/13/67/632391367.db2.gz UUXQABJBUKPHFH-UHFFFAOYSA-N 0 1 280.375 2.690 20 10 CFCDMN C[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816483483 632469040 /nfs/dbraw/zinc/46/90/40/632469040.db2.gz ULBYPGYWTRYQFL-GFCCVEGCSA-N 0 1 257.333 2.766 20 10 CFCDMN COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816493177 632469615 /nfs/dbraw/zinc/46/96/15/632469615.db2.gz RTFOBXJPFMONJV-LBPRGKRZSA-N 0 1 287.359 2.786 20 10 CFCDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816493177 632469621 /nfs/dbraw/zinc/46/96/21/632469621.db2.gz RTFOBXJPFMONJV-LBPRGKRZSA-N 0 1 287.359 2.786 20 10 CFCDMN CCOC(=O)CN(CC)Cc1cc(Cl)c(F)cc1O ZINC000816495165 632470175 /nfs/dbraw/zinc/47/01/75/632470175.db2.gz MRAUSDJHLGJUEP-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@@H]1COCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514139 632474842 /nfs/dbraw/zinc/47/48/42/632474842.db2.gz NHIJWVGUGKEBGA-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN CNC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509218 632475425 /nfs/dbraw/zinc/47/54/25/632475425.db2.gz IFOHKEMPTKWKIF-HNNXBMFYSA-N 0 1 298.386 2.503 20 10 CFCDMN CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509218 632475430 /nfs/dbraw/zinc/47/54/30/632475430.db2.gz IFOHKEMPTKWKIF-HNNXBMFYSA-N 0 1 298.386 2.503 20 10 CFCDMN COC[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542875 632480817 /nfs/dbraw/zinc/48/08/17/632480817.db2.gz FEAPSNDRVPIISB-LBPRGKRZSA-N 0 1 259.349 2.918 20 10 CFCDMN NC(=O)C1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816550329 632481485 /nfs/dbraw/zinc/48/14/85/632481485.db2.gz OHNQIPCYUTTXGU-UHFFFAOYSA-N 0 1 298.386 2.679 20 10 CFCDMN CSC[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552430 632483233 /nfs/dbraw/zinc/48/32/33/632483233.db2.gz MDVRSVGZIQEERO-AWEZNQCLSA-N 0 1 291.416 2.749 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816574396 632488275 /nfs/dbraw/zinc/48/82/75/632488275.db2.gz GHSBAOVWUYMOBA-BLLLJJGKSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816574396 632488277 /nfs/dbraw/zinc/48/82/77/632488277.db2.gz GHSBAOVWUYMOBA-BLLLJJGKSA-N 0 1 271.360 2.748 20 10 CFCDMN [O-]c1c(C[NH2+]CCCCCO)ccc2ccccc21 ZINC000816594688 632491843 /nfs/dbraw/zinc/49/18/43/632491843.db2.gz MLIHRZODBIPPFR-UHFFFAOYSA-N 0 1 259.349 2.798 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOCC12CC2 ZINC000816600605 632492775 /nfs/dbraw/zinc/49/27/75/632492775.db2.gz CJLPWWKZOLKRDS-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000816646990 632502607 /nfs/dbraw/zinc/50/26/07/632502607.db2.gz LZLNUDMNPGCOBT-JGVFFNPUSA-N 0 1 270.716 2.794 20 10 CFCDMN COc1cccc(O)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666375 632508224 /nfs/dbraw/zinc/50/82/24/632508224.db2.gz LOLTWDHLFJVRJQ-SJORKVTESA-N 0 1 289.375 2.544 20 10 CFCDMN CC[C@H]1CN(Cc2c(O)cccc2OC)C[C@H](CC)O1 ZINC000817413507 632625802 /nfs/dbraw/zinc/62/58/02/632625802.db2.gz YOMMWCVLGJXUMS-STQMWFEESA-N 0 1 279.380 2.790 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCC[N@H+]1C ZINC000817417376 632627166 /nfs/dbraw/zinc/62/71/66/632627166.db2.gz KWRPXRPJGBDWQZ-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112523 632635623 /nfs/dbraw/zinc/63/56/23/632635623.db2.gz RDUQSISSDIFEGV-AOOOYVTPSA-N 0 1 259.683 2.743 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112523 632635631 /nfs/dbraw/zinc/63/56/31/632635631.db2.gz RDUQSISSDIFEGV-AOOOYVTPSA-N 0 1 259.683 2.743 20 10 CFCDMN Oc1ccc(Cl)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112523 632635637 /nfs/dbraw/zinc/63/56/37/632635637.db2.gz RDUQSISSDIFEGV-AOOOYVTPSA-N 0 1 259.683 2.743 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118161 632639113 /nfs/dbraw/zinc/63/91/13/632639113.db2.gz UUIRADUBADMXDQ-LBPRGKRZSA-N 0 1 257.255 2.762 20 10 CFCDMN CC[C@H]([NH2+][C@H](CO)CCF)c1cc(Cl)ccc1[O-] ZINC000846209740 632660488 /nfs/dbraw/zinc/66/04/88/632660488.db2.gz UCKJIUPZAKBSRM-JQWIXIFHSA-N 0 1 275.751 2.807 20 10 CFCDMN CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000846208886 632661009 /nfs/dbraw/zinc/66/10/09/632661009.db2.gz NKXNTMWJHMVVDB-QWRGUYRKSA-N 0 1 296.798 2.565 20 10 CFCDMN Cc1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])ccc1N(C)C ZINC000846266397 632677991 /nfs/dbraw/zinc/67/79/91/632677991.db2.gz ZLWCSNNEZJGIRX-HNNXBMFYSA-N 0 1 290.407 2.890 20 10 CFCDMN Cc1cc(C[N@H+](CCC(=O)[O-])C(C)C)ccc1N(C)C ZINC000846270002 632678738 /nfs/dbraw/zinc/67/87/38/632678738.db2.gz RDNOKEBGRNFZDQ-UHFFFAOYSA-N 0 1 278.396 2.746 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846276841 632681204 /nfs/dbraw/zinc/68/12/04/632681204.db2.gz XQEYMLRCDWARIE-ZDUSSCGKSA-N 0 1 290.407 2.828 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1N(C)C ZINC000846282187 632684237 /nfs/dbraw/zinc/68/42/37/632684237.db2.gz WOKGAHFYWYQBLN-DZGCQCFKSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC000817881467 632716860 /nfs/dbraw/zinc/71/68/60/632716860.db2.gz UJCOAMOJLYSVSE-STQMWFEESA-N 0 1 277.364 2.694 20 10 CFCDMN CC[C@H]([NH2+]C1CNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817956034 632755535 /nfs/dbraw/zinc/75/55/35/632755535.db2.gz OGPCROJFDUBLTA-JTQLQIEISA-N 0 1 275.179 2.712 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1Cl ZINC000857061306 635921981 /nfs/dbraw/zinc/92/19/81/635921981.db2.gz OEAXXPJBHMXVDY-GXFFZTMASA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1Cl ZINC000857061306 635921982 /nfs/dbraw/zinc/92/19/82/635921982.db2.gz OEAXXPJBHMXVDY-GXFFZTMASA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1CO ZINC000857061268 635922005 /nfs/dbraw/zinc/92/20/05/635922005.db2.gz NIRUCONCBWIKLF-MWLCHTKSSA-N 0 1 287.762 2.635 20 10 CFCDMN CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000848558637 633288765 /nfs/dbraw/zinc/28/87/65/633288765.db2.gz NNKKKHORTKKTBM-SJCJKPOMSA-N 0 1 289.375 2.593 20 10 CFCDMN CCc1cccc(CN2CCO[C@H](COC(C)C)C2)c1O ZINC000848902423 633389069 /nfs/dbraw/zinc/38/90/69/633389069.db2.gz CXPSWXITKTUWGV-INIZCTEOSA-N 0 1 293.407 2.580 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000850388253 633971814 /nfs/dbraw/zinc/97/18/14/633971814.db2.gz KGQXVUIQNKDTCP-KGLIPLIRSA-N 0 1 281.783 2.747 20 10 CFCDMN CCC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770355 634233376 /nfs/dbraw/zinc/23/33/76/634233376.db2.gz IMSYDEYVSSNCAM-STQMWFEESA-N 0 1 278.396 2.517 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@](C)(C3CC3)C2)c1O ZINC000853527540 635028328 /nfs/dbraw/zinc/02/83/28/635028328.db2.gz ADARGKVXVABYCX-KRWDZBQOSA-N 0 1 291.391 2.710 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2Cl)c1 ZINC000857046067 635916470 /nfs/dbraw/zinc/91/64/70/635916470.db2.gz GMTYWIMKKDNPKT-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN CO[C@H]1C[C@@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000858331071 636191793 /nfs/dbraw/zinc/19/17/93/636191793.db2.gz OREJSBBHCHUYCI-PHIMTYICSA-N 0 1 269.772 2.869 20 10 CFCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000159456601 650262111 /nfs/dbraw/zinc/26/21/11/650262111.db2.gz ZRIMGAQEZFWWOZ-BETUJISGSA-N 0 1 275.392 2.880 20 10 CFCDMN CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000862388307 637350752 /nfs/dbraw/zinc/35/07/52/637350752.db2.gz ZUOJJWVHXNPFJA-NSHDSACASA-N 0 1 271.788 2.947 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000862388307 637350756 /nfs/dbraw/zinc/35/07/56/637350756.db2.gz ZUOJJWVHXNPFJA-NSHDSACASA-N 0 1 271.788 2.947 20 10 CFCDMN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000862486284 637400801 /nfs/dbraw/zinc/40/08/01/637400801.db2.gz CHPHGPODIQJLQP-LLVKDONJSA-N 0 1 295.766 2.787 20 10 CFCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])CC(F)F ZINC000862551853 637422764 /nfs/dbraw/zinc/42/27/64/637422764.db2.gz ZRXPVZQHOWEHNH-UHFFFAOYSA-N 0 1 294.345 2.832 20 10 CFCDMN CCC[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1O ZINC000120371965 638186802 /nfs/dbraw/zinc/18/68/02/638186802.db2.gz ORYQIAXCROMION-ZDUSSCGKSA-N 0 1 277.364 2.557 20 10 CFCDMN CCC[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120371965 638186814 /nfs/dbraw/zinc/18/68/14/638186814.db2.gz ORYQIAXCROMION-ZDUSSCGKSA-N 0 1 277.364 2.557 20 10 CFCDMN CCC[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120371965 638186820 /nfs/dbraw/zinc/18/68/20/638186820.db2.gz ORYQIAXCROMION-ZDUSSCGKSA-N 0 1 277.364 2.557 20 10 CFCDMN CCC[C@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865662977 638496793 /nfs/dbraw/zinc/49/67/93/638496793.db2.gz IPKKILHQYXGKIN-LLVKDONJSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1nocc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000865679230 638506638 /nfs/dbraw/zinc/50/66/38/638506638.db2.gz ZBJCSXSKZBWNEK-PLNGDYQASA-N 0 1 271.364 2.852 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865858304 638619598 /nfs/dbraw/zinc/61/95/98/638619598.db2.gz BRZBBWRGDCWZNU-KGLIPLIRSA-N 0 1 267.756 2.847 20 10 CFCDMN CC[C@H](C[C@H](C)O)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865873965 638633443 /nfs/dbraw/zinc/63/34/43/638633443.db2.gz NKCWDCBQKXAZCG-WDEREUQCSA-N 0 1 271.788 2.993 20 10 CFCDMN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000872266216 641727362 /nfs/dbraw/zinc/72/73/62/641727362.db2.gz SBPDHFJGNDILPQ-GASCZTMLSA-N 0 1 269.344 2.624 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000872266216 641727364 /nfs/dbraw/zinc/72/73/64/641727364.db2.gz SBPDHFJGNDILPQ-GASCZTMLSA-N 0 1 269.344 2.624 20 10 CFCDMN CC(C)C[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552144 650764740 /nfs/dbraw/zinc/76/47/40/650764740.db2.gz CMVIPAATSHDEPR-SNVBAGLBSA-N 0 1 257.761 2.542 20 10 CFCDMN [O-]c1c(F)c(F)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000876526410 642904712 /nfs/dbraw/zinc/90/47/12/642904712.db2.gz SVXSRSHRTQFQRL-UHFFFAOYSA-N 0 1 293.313 2.665 20 10 CFCDMN CCOC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876739692 642987986 /nfs/dbraw/zinc/98/79/86/642987986.db2.gz PQCHNKRQNVRXFV-NSHDSACASA-N 0 1 285.334 2.919 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000876758837 642997936 /nfs/dbraw/zinc/99/79/36/642997936.db2.gz LCOAGFVMXXPRCA-AAEUAGOBSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000876758837 642997940 /nfs/dbraw/zinc/99/79/40/642997940.db2.gz LCOAGFVMXXPRCA-AAEUAGOBSA-N 0 1 298.377 2.975 20 10 CFCDMN Cc1cccc(O)c1CNCc1nccn1C(F)F ZINC000876981107 643091419 /nfs/dbraw/zinc/09/14/19/643091419.db2.gz RNIGPYYVYPXISI-UHFFFAOYSA-N 0 1 267.279 2.582 20 10 CFCDMN C[N@@H+](CCc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000877318250 643235560 /nfs/dbraw/zinc/23/55/60/643235560.db2.gz ULJSDGFHJHDNST-UHFFFAOYSA-N 0 1 278.302 2.740 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)[C@@H](C)O1 ZINC000877461647 643281538 /nfs/dbraw/zinc/28/15/38/643281538.db2.gz DLPZSWFROCACTO-OPRDCNLKSA-N 0 1 271.307 2.668 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)[C@@H](C)O1 ZINC000877461647 643281544 /nfs/dbraw/zinc/28/15/44/643281544.db2.gz DLPZSWFROCACTO-OPRDCNLKSA-N 0 1 271.307 2.668 20 10 CFCDMN Cc1ccc(CN2CCc3ncsc3C2)c(O)c1 ZINC000877461745 643281978 /nfs/dbraw/zinc/28/19/78/643281978.db2.gz GJLZJVOBFLFCSA-UHFFFAOYSA-N 0 1 260.362 2.715 20 10 CFCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465251 643285208 /nfs/dbraw/zinc/28/52/08/643285208.db2.gz SCUCFSYOPRJKAY-GBIKHYSHSA-N 0 1 285.334 2.652 20 10 CFCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877480102 643296879 /nfs/dbraw/zinc/29/68/79/643296879.db2.gz JRSOKVGHIJKPLY-OAHLLOKOSA-N 0 1 285.334 2.797 20 10 CFCDMN Cc1ccc(CN2CCOc3cc(O)ccc3C2)c(O)c1 ZINC000877516464 643321790 /nfs/dbraw/zinc/32/17/90/643321790.db2.gz AFSZWCAVNANKNK-UHFFFAOYSA-N 0 1 285.343 2.801 20 10 CFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(F)c(F)c4[O-])[C@H]1[C@H]3C2 ZINC000877516797 643321867 /nfs/dbraw/zinc/32/18/67/643321867.db2.gz IJTXFJBRPOVUOI-DSJPLQJWSA-N 0 1 295.329 2.526 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc(F)c1F ZINC000877550067 643351016 /nfs/dbraw/zinc/35/10/16/643351016.db2.gz TXDDUOYMNDAMLP-LBPRGKRZSA-N 0 1 283.318 2.550 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563043 643362615 /nfs/dbraw/zinc/36/26/15/643362615.db2.gz FOORXDOELXFDHO-BNOWGMLFSA-N 0 1 297.345 2.796 20 10 CFCDMN CCc1cccc(CNCc2cc(C(=O)OC)co2)c1O ZINC000877699337 643461573 /nfs/dbraw/zinc/46/15/73/643461573.db2.gz HGZIOJYZKXZXEH-UHFFFAOYSA-N 0 1 289.331 2.624 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@H]21 ZINC000877740169 643507971 /nfs/dbraw/zinc/50/79/71/643507971.db2.gz IVVOZZJZSZPXOE-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@H]21 ZINC000877740169 643507976 /nfs/dbraw/zinc/50/79/76/643507976.db2.gz IVVOZZJZSZPXOE-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CC1(C)C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877751290 643526598 /nfs/dbraw/zinc/52/65/98/643526598.db2.gz AWMSPGYCJMORMT-JTQLQIEISA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H](NCc1cn(C(C)(C)C)nn1)c1ccccc1O ZINC000877757199 643536682 /nfs/dbraw/zinc/53/66/82/643536682.db2.gz NKPCFUJRFJXJFH-NSHDSACASA-N 0 1 274.368 2.590 20 10 CFCDMN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000877778046 643554598 /nfs/dbraw/zinc/55/45/98/643554598.db2.gz IUHXECBJYOHSMA-JQWIXIFHSA-N 0 1 271.788 2.993 20 10 CFCDMN C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)c1ccccc1O ZINC000881440701 644975376 /nfs/dbraw/zinc/97/53/76/644975376.db2.gz MBRBXNJOYKGDPP-MMPTUQATSA-N 0 1 299.374 2.659 20 10 CFCDMN C/C=C\C[C@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883090507 645601722 /nfs/dbraw/zinc/60/17/22/645601722.db2.gz NPVRZYNEVUIDOT-DLRQAJBASA-N 0 1 269.772 2.771 20 10 CFCDMN CCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132577748 645936654 /nfs/dbraw/zinc/93/66/54/645936654.db2.gz RXANUXSJFCPJEB-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C ZINC000221276498 647186374 /nfs/dbraw/zinc/18/63/74/647186374.db2.gz ZNPXZZLDUDCYSQ-GXFFZTMASA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C ZINC000221275555 647186551 /nfs/dbraw/zinc/18/65/51/647186551.db2.gz LTRWLNNZKZURPF-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@H]1C ZINC000221275555 647186554 /nfs/dbraw/zinc/18/65/54/647186554.db2.gz LTRWLNNZKZURPF-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccnnc1 ZINC000924862157 648062865 /nfs/dbraw/zinc/06/28/65/648062865.db2.gz PAWSQDKTUMNPNN-LLVKDONJSA-N 0 1 274.343 2.533 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](CC)CO ZINC000930350696 649235855 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FORNPVAHSNPTHB-ULAZLLGUSA-N 0 1 273.376 2.564 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236793748 778939796 /nfs/dbraw/zinc/93/97/96/778939796.db2.gz ORBCUIZVDVBHNZ-PRHODGIISA-N 0 1 290.190 2.902 20 10 CFCDMN COC[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236799240 778943395 /nfs/dbraw/zinc/94/33/95/778943395.db2.gz SNVCTMUUKDVGMC-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COC[C@@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236799240 778943402 /nfs/dbraw/zinc/94/34/02/778943402.db2.gz SNVCTMUUKDVGMC-JTQLQIEISA-N 0 1 285.771 2.665 20 10 CFCDMN COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1Cl ZINC001236801469 778945628 /nfs/dbraw/zinc/94/56/28/778945628.db2.gz JFCXQQGYGJXJNL-HAQNSBGRSA-N 0 1 299.798 2.790 20 10 CFCDMN CC[N@@H+]1CCN(Cc2c([O-])cc(OC)cc2Cl)[C@H](C)C1 ZINC001236806652 778946493 /nfs/dbraw/zinc/94/64/93/778946493.db2.gz YNSIMSNGCCKBLF-LLVKDONJSA-N 0 1 298.814 2.580 20 10 CFCDMN CC[N@H+]1CCN(Cc2c([O-])cc(OC)cc2Cl)[C@H](C)C1 ZINC001236806652 778946498 /nfs/dbraw/zinc/94/64/98/778946498.db2.gz YNSIMSNGCCKBLF-LLVKDONJSA-N 0 1 298.814 2.580 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001236806957 778946592 /nfs/dbraw/zinc/94/65/92/778946592.db2.gz CZLXXHPBBVDSJU-QGZVFWFLSA-N 0 1 293.407 2.692 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@@]23CCOC3)c([O-])c1Cl ZINC001236805609 778946837 /nfs/dbraw/zinc/94/68/37/778946837.db2.gz CFYMBXUBQNJQJO-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1ccc(CN2C[C@@H](C)OC[C@H]2C)c(O)c1Cl ZINC001236805980 778947161 /nfs/dbraw/zinc/94/71/61/778947161.db2.gz IRPABUVIFXAUOT-NXEZZACHSA-N 0 1 285.771 2.663 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CCC[C@@](C)(CO)CC2)c(O)c1 ZINC001236808085 778948437 /nfs/dbraw/zinc/94/84/37/778948437.db2.gz LYTIXPIDTNMWFA-QGZVFWFLSA-N 0 1 293.407 2.694 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC001236808552 778948781 /nfs/dbraw/zinc/94/87/81/778948781.db2.gz ONPIZDNXWBRDLX-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC001236808552 778948787 /nfs/dbraw/zinc/94/87/87/778948787.db2.gz ONPIZDNXWBRDLX-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC001236808552 778948791 /nfs/dbraw/zinc/94/87/91/778948791.db2.gz ONPIZDNXWBRDLX-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)CC(C)(C)O ZINC001236808556 778949447 /nfs/dbraw/zinc/94/94/47/778949447.db2.gz ONVMPKNBBNROOS-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN CC[N@H+](Cc1c([O-])cc(OC)cc1Cl)CC(C)(C)O ZINC001236808556 778949451 /nfs/dbraw/zinc/94/94/51/778949451.db2.gz ONVMPKNBBNROOS-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cc(OC)cc1Cl)CC(C)(C)O ZINC001236808556 778949458 /nfs/dbraw/zinc/94/94/58/778949458.db2.gz ONVMPKNBBNROOS-UHFFFAOYSA-N 0 1 287.787 2.647 20 10 CFCDMN Oc1cccc2c1CN(Cc1cccc(CF)n1)CC2 ZINC001232538517 778952427 /nfs/dbraw/zinc/95/24/27/778952427.db2.gz RGUGXKIYMCIXNJ-UHFFFAOYSA-N 0 1 272.323 2.815 20 10 CFCDMN OC[C@@H]1C[C@@H](F)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826185 778954963 /nfs/dbraw/zinc/95/49/63/778954963.db2.gz HUTQTKXXGHFJRH-MLGOLLRUSA-N 0 1 289.350 2.698 20 10 CFCDMN CC(C)c1ccc(CN2CC[C@@](C)(O)[C@@H](F)C2)c(O)c1 ZINC001237046937 778999062 /nfs/dbraw/zinc/99/90/62/778999062.db2.gz XAARALFKXBGRDR-JKSUJKDBSA-N 0 1 281.371 2.810 20 10 CFCDMN CC(C)c1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c(O)c1 ZINC001237050209 779000538 /nfs/dbraw/zinc/00/05/38/779000538.db2.gz YYVJJPHOIOFFOA-IUODEOHRSA-N 0 1 263.381 2.861 20 10 CFCDMN Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@@H](F)C1 ZINC001237054051 779000645 /nfs/dbraw/zinc/00/06/45/779000645.db2.gz UHRNUVCWXHOSTN-SNVBAGLBSA-N 0 1 293.260 2.877 20 10 CFCDMN CC(=O)N1CCN(Cc2ccc(C(C)C)cc2O)C[C@@H]1C ZINC001237055003 779001853 /nfs/dbraw/zinc/00/18/53/779001853.db2.gz LSTGVWXUCXOFSO-ZDUSSCGKSA-N 0 1 290.407 2.568 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@]1(C)O ZINC001237119763 779016928 /nfs/dbraw/zinc/01/69/28/779016928.db2.gz FHPBMEKJSJBNQQ-XPTSAGLGSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@]1(C)O ZINC001237119763 779016936 /nfs/dbraw/zinc/01/69/36/779016936.db2.gz FHPBMEKJSJBNQQ-XPTSAGLGSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@@]1(C)O ZINC001237119764 779018161 /nfs/dbraw/zinc/01/81/61/779018161.db2.gz FHPBMEKJSJBNQQ-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC[C@@]1(C)O ZINC001237119764 779018169 /nfs/dbraw/zinc/01/81/69/779018169.db2.gz FHPBMEKJSJBNQQ-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN CCOC(=O)CC[N@@H+](C)Cc1c(O)ccc(F)c1Cl ZINC001237126061 779018591 /nfs/dbraw/zinc/01/85/91/779018591.db2.gz HNQAQIWEIWUDFJ-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN CCOC(=O)CC[N@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237126061 779018599 /nfs/dbraw/zinc/01/85/99/779018599.db2.gz HNQAQIWEIWUDFJ-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN CCOC(=O)CC[N@@H+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237126061 779018606 /nfs/dbraw/zinc/01/86/06/779018606.db2.gz HNQAQIWEIWUDFJ-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[N@@H+]1C[C@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)[C@H]2C1 ZINC001237126547 779021810 /nfs/dbraw/zinc/02/18/10/779021810.db2.gz NHHSPXIZNNRITA-MFKMUULPSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3c([O-])ccc(F)c3Cl)[C@H]2C1 ZINC001237126547 779021817 /nfs/dbraw/zinc/02/18/17/779021817.db2.gz NHHSPXIZNNRITA-MFKMUULPSA-N 0 1 298.789 2.711 20 10 CFCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237131726 779022552 /nfs/dbraw/zinc/02/25/52/779022552.db2.gz WRRUZMSFOUSRNP-UWVGGRQHSA-N 0 1 285.746 2.653 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237131726 779022558 /nfs/dbraw/zinc/02/25/58/779022558.db2.gz WRRUZMSFOUSRNP-UWVGGRQHSA-N 0 1 285.746 2.653 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237131726 779022566 /nfs/dbraw/zinc/02/25/66/779022566.db2.gz WRRUZMSFOUSRNP-UWVGGRQHSA-N 0 1 285.746 2.653 20 10 CFCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237405483 779098490 /nfs/dbraw/zinc/09/84/90/779098490.db2.gz QTADSORATFSDOU-FZMZJTMJSA-N 0 1 280.799 2.620 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415519 779103204 /nfs/dbraw/zinc/10/32/04/779103204.db2.gz PVDMSQOGVFQHBO-IINYFYTJSA-N 0 1 298.789 2.759 20 10 CFCDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237487799 779119491 /nfs/dbraw/zinc/11/94/91/779119491.db2.gz DLDJXJUOWLIGDA-PBHICJAKSA-N 0 1 275.392 2.949 20 10 CFCDMN CN1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237624032 779147125 /nfs/dbraw/zinc/14/71/25/779147125.db2.gz VGCNFBPYLREIRU-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]21 ZINC001237624032 779147128 /nfs/dbraw/zinc/14/71/28/779147128.db2.gz VGCNFBPYLREIRU-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN CC[N@@H+](CCn1ccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622808 779147595 /nfs/dbraw/zinc/14/75/95/779147595.db2.gz AWWSCAFYGYKDGK-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN Cc1cc(O)c(CN(C)CCF)cc1Br ZINC001237686148 779161423 /nfs/dbraw/zinc/16/14/23/779161423.db2.gz UEDROIHPPGWFDB-UHFFFAOYSA-N 0 1 276.149 2.864 20 10 CFCDMN COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H]1C ZINC001237690732 779162963 /nfs/dbraw/zinc/16/29/63/779162963.db2.gz SHARUFGHOCJGGA-GWCFXTLKSA-N 0 1 297.782 2.595 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237800110 779181365 /nfs/dbraw/zinc/18/13/65/779181365.db2.gz XEPZBWGYVDFLDX-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN CC1(C)CN(Cc2cc(F)cc(Cl)c2O)CCC1=O ZINC001237800030 779181911 /nfs/dbraw/zinc/18/19/11/779181911.db2.gz UYXCUVGSOGICFQ-UHFFFAOYSA-N 0 1 285.746 2.986 20 10 CFCDMN C[N@H+](Cc1ccno1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237801428 779182294 /nfs/dbraw/zinc/18/22/94/779182294.db2.gz HZLLAHQOHRTRCM-UHFFFAOYSA-N 0 1 270.691 2.805 20 10 CFCDMN C[N@@H+](Cc1ccno1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237801428 779182300 /nfs/dbraw/zinc/18/23/00/779182300.db2.gz HZLLAHQOHRTRCM-UHFFFAOYSA-N 0 1 270.691 2.805 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001237807986 779184158 /nfs/dbraw/zinc/18/41/58/779184158.db2.gz PGNHDNSEFDNTAG-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@@H]21 ZINC001237940210 779211137 /nfs/dbraw/zinc/21/11/37/779211137.db2.gz IUXFHLOODCKWGI-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@@H]21 ZINC001237940210 779211144 /nfs/dbraw/zinc/21/11/44/779211144.db2.gz IUXFHLOODCKWGI-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@@H]21 ZINC001237940210 779211147 /nfs/dbraw/zinc/21/11/47/779211147.db2.gz IUXFHLOODCKWGI-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950712 779216376 /nfs/dbraw/zinc/21/63/76/779216376.db2.gz ZKRAJXFHPOODTK-PSASIEDQSA-N 0 1 273.735 2.530 20 10 CFCDMN CC1(C)C[NH2+]CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001235826824 779381803 /nfs/dbraw/zinc/38/18/03/779381803.db2.gz CTMGSPFRHJLOIJ-UHFFFAOYSA-N 0 1 289.206 2.883 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCc2ncncc2C1 ZINC001237798452 779718045 /nfs/dbraw/zinc/71/80/45/779718045.db2.gz FYMDYIAHFUBCEQ-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000765101169 779878999 /nfs/dbraw/zinc/87/89/99/779878999.db2.gz WTSWZBHAAXMZII-VXGBXAGGSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]1OCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000765101169 779879007 /nfs/dbraw/zinc/87/90/07/779879007.db2.gz WTSWZBHAAXMZII-VXGBXAGGSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000765101169 779879011 /nfs/dbraw/zinc/87/90/11/779879011.db2.gz WTSWZBHAAXMZII-VXGBXAGGSA-N 0 1 272.348 2.550 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCOCC1 ZINC000383661508 780305749 /nfs/dbraw/zinc/30/57/49/780305749.db2.gz LTPMDBFLPNQNOW-LBPRGKRZSA-N 0 1 255.745 2.704 20 10 CFCDMN Fc1nc2nc[nH]c2c(C2=CCN(c3ccccc3)CC2)n1 ZINC001241337768 780793249 /nfs/dbraw/zinc/79/32/49/780793249.db2.gz GSFAUMRFOPVOOT-UHFFFAOYSA-N 0 1 295.321 2.737 20 10 CFCDMN CC1(C)OCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000703192074 780994933 /nfs/dbraw/zinc/99/49/33/780994933.db2.gz MIQJBXQWHZGORJ-SNVBAGLBSA-N 0 1 269.772 2.950 20 10 CFCDMN C[N@@H+](CCOC(C)(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703501564 781017808 /nfs/dbraw/zinc/01/78/08/781017808.db2.gz KFCLXVQHTSSOIS-UHFFFAOYSA-N 0 1 273.323 2.917 20 10 CFCDMN CSC[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706834283 781204683 /nfs/dbraw/zinc/20/46/83/781204683.db2.gz SJEKINXBMUGZGQ-MRVPVSSYSA-N 0 1 290.226 2.996 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Br)OC ZINC000706883210 781212260 /nfs/dbraw/zinc/21/22/60/781212260.db2.gz JUCICBAHKGCCJX-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708413885 781272919 /nfs/dbraw/zinc/27/29/19/781272919.db2.gz ORJHSVZVOMDABX-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000708415564 781273154 /nfs/dbraw/zinc/27/31/54/781273154.db2.gz YTLRJZSIKLZZGL-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000708412118 781273603 /nfs/dbraw/zinc/27/36/03/781273603.db2.gz GDZKTPAHBHRFMV-LLVKDONJSA-N 0 1 293.260 2.526 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000709027533 781287772 /nfs/dbraw/zinc/28/77/72/781287772.db2.gz LUWAVRRSCHUEOP-HNNXBMFYSA-N 0 1 279.380 2.648 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](CF)C2)ccc(F)c1F ZINC000711497194 781446546 /nfs/dbraw/zinc/44/65/46/781446546.db2.gz KGRJTCVUOSDIFO-SECBINFHSA-N 0 1 259.271 2.852 20 10 CFCDMN CCC[N@H+](CC)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000289483152 283179568 /nfs/dbraw/zinc/17/95/68/283179568.db2.gz FMEYSRLDTQAYBM-GFCCVEGCSA-N 0 1 295.383 2.510 20 10 CFCDMN CCC[N@@H+](CC)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000289483152 283179569 /nfs/dbraw/zinc/17/95/69/283179569.db2.gz FMEYSRLDTQAYBM-GFCCVEGCSA-N 0 1 295.383 2.510 20 10 CFCDMN Cc1cc(CN[C@H](CCO)c2ccco2)ccc1N(C)C ZINC000294425179 199034299 /nfs/dbraw/zinc/03/42/99/199034299.db2.gz DRRFPZWVSBFHHB-OAHLLOKOSA-N 0 1 288.391 2.867 20 10 CFCDMN Cc1cc(CN[C@@H](CCO)c2ccco2)ccc1N(C)C ZINC000294425175 199034621 /nfs/dbraw/zinc/03/46/21/199034621.db2.gz DRRFPZWVSBFHHB-HNNXBMFYSA-N 0 1 288.391 2.867 20 10 CFCDMN COCC1=CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294834780 199204625 /nfs/dbraw/zinc/20/46/25/199204625.db2.gz YSSZFZVMEVNVAI-UHFFFAOYSA-N 0 1 285.746 2.963 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000191200492 296133887 /nfs/dbraw/zinc/13/38/87/296133887.db2.gz FUOBCFRWCOUNSU-GHMZBOCLSA-N 0 1 296.361 2.805 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000113327193 376010338 /nfs/dbraw/zinc/01/03/38/376010338.db2.gz VSFRXSDGCLJYGB-JKSUJKDBSA-N 0 1 289.762 2.794 20 10 CFCDMN CC[C@H](C)[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342580 376010442 /nfs/dbraw/zinc/01/04/42/376010442.db2.gz PSROQCBUXBBGDT-TVQRCGJNSA-N 0 1 257.761 2.542 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CSCCS1 ZINC000125183273 377126087 /nfs/dbraw/zinc/12/60/87/377126087.db2.gz RKBZEYNWOJDGPU-VIFPVBQESA-N 0 1 289.853 2.984 20 10 CFCDMN CC1(C)COCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124565376 377063300 /nfs/dbraw/zinc/06/33/00/377063300.db2.gz YSQYQQZXEKRMBV-UHFFFAOYSA-N 0 1 255.745 2.656 20 10 CFCDMN COCc1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000126291151 377221677 /nfs/dbraw/zinc/22/16/77/377221677.db2.gz ZWWXPFQXKYPQJC-UHFFFAOYSA-N 0 1 292.354 2.921 20 10 CFCDMN CCCOc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000126957219 377257220 /nfs/dbraw/zinc/25/72/20/377257220.db2.gz RKRKJYNUSCYGGW-CHWSQXEVSA-N 0 1 279.380 2.790 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000130094786 377510516 /nfs/dbraw/zinc/51/05/16/377510516.db2.gz KHJBJDBFRJDYKZ-UHFFFAOYSA-N 0 1 297.782 2.631 20 10 CFCDMN CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)c(O)c1 ZINC000132968668 377890992 /nfs/dbraw/zinc/89/09/92/377890992.db2.gz IHTZVWZDRMDWAH-HNNXBMFYSA-N 0 1 279.380 2.792 20 10 CFCDMN C[C@@H]([NH2+]C1CC1)c1cc(Br)ccc1[O-] ZINC000134901050 378059799 /nfs/dbraw/zinc/05/97/99/378059799.db2.gz NGRCICUGMMWTFZ-SSDOTTSWSA-N 0 1 256.143 2.968 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180199260 380631871 /nfs/dbraw/zinc/63/18/71/380631871.db2.gz NLVXRQBHOUGLSL-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000180302691 380643416 /nfs/dbraw/zinc/64/34/16/380643416.db2.gz PXLAWHBDZZOBMB-BVUQATHDSA-N 0 1 281.783 2.638 20 10 CFCDMN Cc1cccc(CN2CCO[C@H](c3ccco3)C2)c1O ZINC000180628443 380685151 /nfs/dbraw/zinc/68/51/51/380685151.db2.gz YCYFOBRSMMQPEL-HNNXBMFYSA-N 0 1 273.332 2.867 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC000295376735 380816763 /nfs/dbraw/zinc/81/67/63/380816763.db2.gz OTCFCJRIGMVHLE-CYBMUJFWSA-N 0 1 285.746 2.796 20 10 CFCDMN COc1ccc(O)c(CN2CCC[C@](C)(F)C2)c1 ZINC000295596988 380964587 /nfs/dbraw/zinc/96/45/87/380964587.db2.gz CNHZHATTZXGQBF-AWEZNQCLSA-N 0 1 253.317 2.725 20 10 CFCDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1nccn1C ZINC000182232503 381033778 /nfs/dbraw/zinc/03/37/78/381033778.db2.gz ZLEWLPYSYGBQOE-HNNXBMFYSA-N 0 1 272.396 2.727 20 10 CFCDMN Cc1cccc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000183757643 381315457 /nfs/dbraw/zinc/31/54/57/381315457.db2.gz KZDDRLSBBJWAKN-UHFFFAOYSA-N 0 1 256.349 2.770 20 10 CFCDMN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185148579 381545143 /nfs/dbraw/zinc/54/51/43/381545143.db2.gz LOZKZVURYZCGQH-UWVGGRQHSA-N 0 1 257.761 2.979 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000185370460 381614949 /nfs/dbraw/zinc/61/49/49/381614949.db2.gz XEKYBHSXCIPFSD-AWEZNQCLSA-N 0 1 297.370 2.573 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000185370460 381614955 /nfs/dbraw/zinc/61/49/55/381614955.db2.gz XEKYBHSXCIPFSD-AWEZNQCLSA-N 0 1 297.370 2.573 20 10 CFCDMN C[C@@H]([NH2+]CCSCCCO)c1cc(Cl)ccc1[O-] ZINC000185378607 381617660 /nfs/dbraw/zinc/61/76/60/381617660.db2.gz IXSGRIMSNUIWFO-SNVBAGLBSA-N 0 1 289.828 2.812 20 10 CFCDMN Cc1nc(CNCc2cc(C)ccc2O)c2n1CCCC2 ZINC000371459126 381632396 /nfs/dbraw/zinc/63/23/96/381632396.db2.gz SSBJUAQLIZGMED-UHFFFAOYSA-N 0 1 285.391 2.832 20 10 CFCDMN CN1CC[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000359909362 381672593 /nfs/dbraw/zinc/67/25/93/381672593.db2.gz YXXNKVGQUCWZQB-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000185702091 381710659 /nfs/dbraw/zinc/71/06/59/381710659.db2.gz DHBVQHKOTODSAR-YPMHNXCESA-N 0 1 299.798 2.892 20 10 CFCDMN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185606251 381679163 /nfs/dbraw/zinc/67/91/63/381679163.db2.gz AJKXGDYVPVZJPO-RYUDHWBXSA-N 0 1 269.360 2.981 20 10 CFCDMN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000186047744 381811334 /nfs/dbraw/zinc/81/13/34/381811334.db2.gz WGNCAGWTGPKXHG-ZWNOBZJWSA-N 0 1 296.798 2.706 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373484215 382014428 /nfs/dbraw/zinc/01/44/28/382014428.db2.gz KXHVAEBCEUOBCH-TZMCWYRMSA-N 0 1 267.756 2.799 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373484215 382014435 /nfs/dbraw/zinc/01/44/35/382014435.db2.gz KXHVAEBCEUOBCH-TZMCWYRMSA-N 0 1 267.756 2.799 20 10 CFCDMN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000375243348 382073419 /nfs/dbraw/zinc/07/34/19/382073419.db2.gz XIMYGELXAAEYRQ-KRWDZBQOSA-N 0 1 287.334 2.971 20 10 CFCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC[C@H](CO)C1 ZINC000377548876 382289065 /nfs/dbraw/zinc/28/90/65/382289065.db2.gz IYMAEEYASSBIKJ-DZGCQCFKSA-N 0 1 263.381 2.938 20 10 CFCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCCC[C@H](CO)C1 ZINC000377548876 382289068 /nfs/dbraw/zinc/28/90/68/382289068.db2.gz IYMAEEYASSBIKJ-DZGCQCFKSA-N 0 1 263.381 2.938 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000377236943 382240300 /nfs/dbraw/zinc/24/03/00/382240300.db2.gz GWXLGRCVXJWKNJ-DZGCQCFKSA-N 0 1 291.391 2.649 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000187799008 382271021 /nfs/dbraw/zinc/27/10/21/382271021.db2.gz ZAADEQUCFNUQDC-WCBMZHEXSA-N 0 1 295.333 2.984 20 10 CFCDMN CC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000293890673 382324618 /nfs/dbraw/zinc/32/46/18/382324618.db2.gz ZBXBAJNYXGXRPS-SCZZXKLOSA-N 0 1 288.185 2.576 20 10 CFCDMN CO[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000188113352 382346101 /nfs/dbraw/zinc/34/61/01/382346101.db2.gz MFSSOTARSKZWLA-RKDXNWHRSA-N 0 1 288.185 2.840 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@H]2C1 ZINC000365266760 382370634 /nfs/dbraw/zinc/37/06/34/382370634.db2.gz LMBDVRJOLKJHRV-MFKMUULPSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000378499545 382474062 /nfs/dbraw/zinc/47/40/62/382474062.db2.gz UIRRXSDFLAKPSO-DFBGVHRSSA-N 0 1 279.355 2.777 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000378538103 382479587 /nfs/dbraw/zinc/47/95/87/382479587.db2.gz ZZKJCYBEOINOKU-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN C[C@H](CCN(C)C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294274359 382489224 /nfs/dbraw/zinc/48/92/24/382489224.db2.gz ONZOZUOESOOSRK-SECBINFHSA-N 0 1 274.767 2.615 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000294694120 382525762 /nfs/dbraw/zinc/52/57/62/382525762.db2.gz NSPMQUZYCUYDHP-OCCSQVGLSA-N 0 1 285.746 2.938 20 10 CFCDMN Cc1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)ccc1N(C)C ZINC000294649898 382519635 /nfs/dbraw/zinc/51/96/35/382519635.db2.gz QNXRVELROMRTTH-INIZCTEOSA-N 0 1 276.424 2.654 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000189299885 382585745 /nfs/dbraw/zinc/58/57/45/382585745.db2.gz GOMYUEHOUNGZKE-SCVCMEIPSA-N 0 1 269.772 2.857 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C)O[C@H](CC)C2)c1O ZINC000245553821 383006289 /nfs/dbraw/zinc/00/62/89/383006289.db2.gz GCWJQSASGNQIPW-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249987625 383368388 /nfs/dbraw/zinc/36/83/88/383368388.db2.gz ZIYDLSAQSPWKBK-SCRDCRAPSA-N 0 1 267.756 2.703 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252732475 383430835 /nfs/dbraw/zinc/43/08/35/383430835.db2.gz VFLIEFRYUYRTTQ-ZDUSSCGKSA-N 0 1 280.799 2.716 20 10 CFCDMN CC[C@H](NCc1ncnn1C(C)(C)C)c1ccccc1O ZINC000282455121 385316060 /nfs/dbraw/zinc/31/60/60/385316060.db2.gz FRNRDJKQNYSDJS-ZDUSSCGKSA-N 0 1 288.395 2.980 20 10 CFCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000271209542 385376199 /nfs/dbraw/zinc/37/61/99/385376199.db2.gz XOMWIZZGERBZEH-JSGCOSHPSA-N 0 1 279.380 2.526 20 10 CFCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271209540 385376215 /nfs/dbraw/zinc/37/62/15/385376215.db2.gz XOMWIZZGERBZEH-GXTWGEPZSA-N 0 1 279.380 2.526 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC[C@@H]1O ZINC000271874446 385395072 /nfs/dbraw/zinc/39/50/72/385395072.db2.gz SSXVDOQBEPBXIG-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492135 385551408 /nfs/dbraw/zinc/55/14/08/385551408.db2.gz DXRVIPGVYURWLV-DTWKUNHWSA-N 0 1 290.190 2.902 20 10 CFCDMN CC[C@H](NCc1nnc(C2CC2)[nH]1)c1ccccc1O ZINC000273283173 385675080 /nfs/dbraw/zinc/67/50/80/385675080.db2.gz JICJMXAGKMGEPG-LBPRGKRZSA-N 0 1 272.352 2.629 20 10 CFCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N(C)C ZINC000273370010 385678809 /nfs/dbraw/zinc/67/88/09/385678809.db2.gz CEURULAONQJMJA-ZJUUUORDSA-N 0 1 256.777 2.646 20 10 CFCDMN COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273396223 385680591 /nfs/dbraw/zinc/68/05/91/385680591.db2.gz LWLSENGLOHFCCM-OAHLLOKOSA-N 0 1 294.439 2.628 20 10 CFCDMN Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273487869 385685087 /nfs/dbraw/zinc/68/50/87/385685087.db2.gz NNVKFPYEYHETQH-SECBINFHSA-N 0 1 265.744 2.928 20 10 CFCDMN CCc1nnc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000273511706 385686443 /nfs/dbraw/zinc/68/64/43/385686443.db2.gz RVOBUHNESQBWCV-QWRGUYRKSA-N 0 1 274.368 2.793 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H](C)c2nncn2C)c(O)c1C ZINC000273556366 385688298 /nfs/dbraw/zinc/68/82/98/385688298.db2.gz GZYQEVMXLNOOFS-RYUDHWBXSA-N 0 1 274.368 2.549 20 10 CFCDMN C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273609231 385691571 /nfs/dbraw/zinc/69/15/71/385691571.db2.gz VHHMTNOTXYMUMZ-UWVGGRQHSA-N 0 1 257.761 2.715 20 10 CFCDMN CCCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109770332 393879558 /nfs/dbraw/zinc/87/95/58/393879558.db2.gz RLARRLUMAUSPRQ-CYBMUJFWSA-N 0 1 278.396 2.519 20 10 CFCDMN Cc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)o1 ZINC000119653743 393923083 /nfs/dbraw/zinc/92/30/83/393923083.db2.gz RHQUTEUMFKXEJU-UHFFFAOYSA-N 0 1 275.304 2.654 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278238594 394060479 /nfs/dbraw/zinc/06/04/79/394060479.db2.gz NNUNSXQDASUTRA-JTQLQIEISA-N 0 1 282.340 2.785 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325863 394060789 /nfs/dbraw/zinc/06/07/89/394060789.db2.gz YRKHWFVUTVJJEX-GHMZBOCLSA-N 0 1 294.351 2.787 20 10 CFCDMN Cn1ccnc1[C@H](NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000364476750 394219059 /nfs/dbraw/zinc/21/90/59/394219059.db2.gz FDCIAZXOFLKTIR-QGZVFWFLSA-N 0 1 296.418 2.653 20 10 CFCDMN CC(C)(O)C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294250291 394291609 /nfs/dbraw/zinc/29/16/09/394291609.db2.gz AIAIWCBTYKYSSI-UHFFFAOYSA-N 0 1 287.762 2.920 20 10 CFCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1=CCOCC1 ZINC000691404979 782009138 /nfs/dbraw/zinc/00/91/38/782009138.db2.gz BUWKRGSOEKCAIM-UHFFFAOYSA-N 0 1 298.180 2.591 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)c(F)c1[O-] ZINC000377407380 287071288 /nfs/dbraw/zinc/07/12/88/287071288.db2.gz AEUXALAQVLTPHT-BDAKNGLRSA-N 0 1 293.317 2.602 20 10 CFCDMN Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000365614164 262374845 /nfs/dbraw/zinc/37/48/45/262374845.db2.gz FOVUPMYDZWNARH-AWEZNQCLSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000365614164 262374847 /nfs/dbraw/zinc/37/48/47/262374847.db2.gz FOVUPMYDZWNARH-AWEZNQCLSA-N 0 1 291.782 2.998 20 10 CFCDMN COc1cc(Cl)cc(CN2CCOCC[C@H]2C)c1O ZINC000367708012 267112195 /nfs/dbraw/zinc/11/21/95/267112195.db2.gz QDWQKWZWXVWDPV-SNVBAGLBSA-N 0 1 285.771 2.665 20 10 CFCDMN C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134235 267147598 /nfs/dbraw/zinc/14/75/98/267147598.db2.gz LLPMLSGQUXHGMR-IUODEOHRSA-N 0 1 294.826 2.962 20 10 CFCDMN CC[C@@H](N[C@H](C)c1nncn1C)c1ccc(C)cc1O ZINC000280239031 276534477 /nfs/dbraw/zinc/53/44/77/276534477.db2.gz VTQIKAMZLQOQRW-DGCLKSJQSA-N 0 1 274.368 2.631 20 10 CFCDMN CN1CC[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000272540675 290232875 /nfs/dbraw/zinc/23/28/75/290232875.db2.gz BWRXYVPIYIPRTH-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN CC[N@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000049013391 521134663 /nfs/dbraw/zinc/13/46/63/521134663.db2.gz OXKONJNNIVPCQZ-UHFFFAOYSA-N 0 1 285.771 2.717 20 10 CFCDMN CC[N@@H+](CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000049013391 521134669 /nfs/dbraw/zinc/13/46/69/521134669.db2.gz OXKONJNNIVPCQZ-UHFFFAOYSA-N 0 1 285.771 2.717 20 10 CFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc[nH]1 ZINC000265606808 519655459 /nfs/dbraw/zinc/65/54/59/519655459.db2.gz KKVARVNXLXLNGY-UHFFFAOYSA-N 0 1 286.379 2.527 20 10 CFCDMN CCOC(=O)[C@H]1CCCCN1Cc1cc(C)ccc1O ZINC000161272684 521284690 /nfs/dbraw/zinc/28/46/90/521284690.db2.gz DDCVQUNZIPUAGM-CQSZACIVSA-N 0 1 277.364 2.618 20 10 CFCDMN CN(C)c1ccc(CNCc2cccc3c2OCCO3)cc1 ZINC000047495943 522209107 /nfs/dbraw/zinc/20/91/07/522209107.db2.gz FWANOABXBMJUCM-UHFFFAOYSA-N 0 1 298.386 2.814 20 10 CFCDMN CC[C@@H](NCc1nncn1CC)c1ccc(C)cc1O ZINC000280060235 522897295 /nfs/dbraw/zinc/89/72/95/522897295.db2.gz KFLODCGWCOVIJL-CYBMUJFWSA-N 0 1 274.368 2.553 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc(Cl)c1[O-] ZINC000287863271 522940306 /nfs/dbraw/zinc/94/03/06/522940306.db2.gz XMFDGPVFMXWMFS-BXKDBHETSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@@H](N[C@H](C)c1ncn(C)n1)c1cccc(Cl)c1O ZINC000287863271 522940317 /nfs/dbraw/zinc/94/03/17/522940317.db2.gz XMFDGPVFMXWMFS-BXKDBHETSA-N 0 1 294.786 2.976 20 10 CFCDMN COC(=O)[C@@H](CC(C)C)NCc1cccc(Cl)c1O ZINC000158701177 523568881 /nfs/dbraw/zinc/56/88/81/523568881.db2.gz SVYRQDXEQOLVAL-GFCCVEGCSA-N 0 1 285.771 2.723 20 10 CFCDMN COC(=O)[C@H](C)N(Cc1cccc(C)c1O)C1CCC1 ZINC000191640937 523878424 /nfs/dbraw/zinc/87/84/24/523878424.db2.gz SMPJSYHIUVAQON-LBPRGKRZSA-N 0 1 277.364 2.617 20 10 CFCDMN COC(=O)[C@H](C)N(Cc1cc(C)c(C)cc1O)C1CCC1 ZINC000191641475 523878559 /nfs/dbraw/zinc/87/85/59/523878559.db2.gz CGQLQGTZOYQRHB-ZDUSSCGKSA-N 0 1 291.391 2.925 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2nccn2C)c(O)c1 ZINC000293720191 524332163 /nfs/dbraw/zinc/33/21/63/524332163.db2.gz MJZWJOPHKGPHSR-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000228155961 524744535 /nfs/dbraw/zinc/74/45/35/524744535.db2.gz RHMUNVHZNJAJRW-ZBFHGGJFSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)no2)c1 ZINC000044985666 524761895 /nfs/dbraw/zinc/76/18/95/524761895.db2.gz PGRZMEULEDLDMD-SNVBAGLBSA-N 0 1 262.309 2.548 20 10 CFCDMN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000044986829 524767527 /nfs/dbraw/zinc/76/75/27/524767527.db2.gz YSCDRANTZGUZJS-LBPRGKRZSA-N 0 1 259.353 2.900 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000087009579 525310913 /nfs/dbraw/zinc/31/09/13/525310913.db2.gz QTTVDLRNMVMMQI-NSHDSACASA-N 0 1 259.349 2.967 20 10 CFCDMN C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc2ccccc2c1[O-] ZINC000037751514 525427365 /nfs/dbraw/zinc/42/73/65/525427365.db2.gz UYKNUQFAXCDWQS-GFCCVEGCSA-N 0 1 286.375 2.674 20 10 CFCDMN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289972833 525790289 /nfs/dbraw/zinc/79/02/89/525790289.db2.gz ZMGUFSITBHVABM-ZFWWWQNUSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000289972833 525790294 /nfs/dbraw/zinc/79/02/94/525790294.db2.gz ZMGUFSITBHVABM-ZFWWWQNUSA-N 0 1 263.381 2.908 20 10 CFCDMN Fc1cc(CNCc2ccco2)ccc1N1CCOCC1 ZINC000069751447 526299135 /nfs/dbraw/zinc/29/91/35/526299135.db2.gz XGIRDPSZBCBVCS-UHFFFAOYSA-N 0 1 290.338 2.545 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365846142 526346750 /nfs/dbraw/zinc/34/67/50/526346750.db2.gz GSVRDWNWSPXRQE-ZDUSSCGKSA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365846142 526346751 /nfs/dbraw/zinc/34/67/51/526346751.db2.gz GSVRDWNWSPXRQE-ZDUSSCGKSA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(O)CCCCC1 ZINC000083552341 526363748 /nfs/dbraw/zinc/36/37/48/526363748.db2.gz RPDDRRVIQKLLDK-UHFFFAOYSA-N 0 1 269.772 2.830 20 10 CFCDMN c1ccc2c(c1)OC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000070070125 526510781 /nfs/dbraw/zinc/51/07/81/526510781.db2.gz NMLYRKNMLBLUES-OAHLLOKOSA-N 0 1 267.328 2.845 20 10 CFCDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000754425929 574095235 /nfs/dbraw/zinc/09/52/35/574095235.db2.gz NPBYQRUPQSWSBM-HTQZYQBOSA-N 0 1 294.380 2.576 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCOC1 ZINC000730803861 574097965 /nfs/dbraw/zinc/09/79/65/574097965.db2.gz PHJRCOAORBNXNV-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCOC1 ZINC000730803861 574097967 /nfs/dbraw/zinc/09/79/67/574097967.db2.gz PHJRCOAORBNXNV-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000728907228 574136385 /nfs/dbraw/zinc/13/63/85/574136385.db2.gz LOSIPRDSHYNULI-LLVKDONJSA-N 0 1 274.389 2.878 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000728907228 574136390 /nfs/dbraw/zinc/13/63/90/574136390.db2.gz LOSIPRDSHYNULI-LLVKDONJSA-N 0 1 274.389 2.878 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1C ZINC000738464015 574170517 /nfs/dbraw/zinc/17/05/17/574170517.db2.gz VOJUHMDHWQTRSO-AWEZNQCLSA-N 0 1 277.364 2.838 20 10 CFCDMN CCOc1cccc(CNCc2cccc(F)n2)c1O ZINC000747934474 574220804 /nfs/dbraw/zinc/22/08/04/574220804.db2.gz CTGGMNNQXRKOPG-UHFFFAOYSA-N 0 1 276.311 2.615 20 10 CFCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Cn1cccn1 ZINC000733325029 574221640 /nfs/dbraw/zinc/22/16/40/574221640.db2.gz SSUBEEVSIUFULI-LLVKDONJSA-N 0 1 279.771 2.668 20 10 CFCDMN CC(C)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756307807 574223970 /nfs/dbraw/zinc/22/39/70/574223970.db2.gz IJHWJBDFIRNSDE-QMMMGPOBSA-N 0 1 289.734 2.631 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(=O)[O-] ZINC000756308921 574224136 /nfs/dbraw/zinc/22/41/36/574224136.db2.gz MESLPWZPXLSNFP-MRVPVSSYSA-N 0 1 289.734 2.775 20 10 CFCDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000756364237 574230063 /nfs/dbraw/zinc/23/00/63/574230063.db2.gz SDUGBPWDTIUFQW-HNNXBMFYSA-N 0 1 272.396 2.727 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000756381129 574231301 /nfs/dbraw/zinc/23/13/01/574231301.db2.gz KNUBQCVMWZNOCK-LRDDRELGSA-N 0 1 284.359 2.578 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756400327 574234028 /nfs/dbraw/zinc/23/40/28/574234028.db2.gz JXWJGACDZDYCGZ-QWRGUYRKSA-N 0 1 296.361 2.805 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000756442595 574238009 /nfs/dbraw/zinc/23/80/09/574238009.db2.gz FFILWZOUJQQUHI-ZYHUDNBSSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756503817 574242125 /nfs/dbraw/zinc/24/21/25/574242125.db2.gz NBAAMPNOCSJVOF-NXEZZACHSA-N 0 1 272.339 2.661 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Br)cc1[O-] ZINC000756533104 574244348 /nfs/dbraw/zinc/24/43/48/574244348.db2.gz GWXMLKWIKFXPDT-ONGXEEELSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756549452 574246350 /nfs/dbraw/zinc/24/63/50/574246350.db2.gz FSYVYFYTPLKKLE-QWRGUYRKSA-N 0 1 284.350 2.663 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000756561413 574247665 /nfs/dbraw/zinc/24/76/65/574247665.db2.gz CCOBLRJNJAKAOC-NWDGAFQWSA-N 0 1 299.798 2.749 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000756584303 574250291 /nfs/dbraw/zinc/25/02/91/574250291.db2.gz SCSNGGQOURLRNW-DGCLKSJQSA-N 0 1 299.798 2.892 20 10 CFCDMN CCn1cc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cn1 ZINC000733789952 574255785 /nfs/dbraw/zinc/25/57/85/574255785.db2.gz AMUZDWGBFUGESH-UHFFFAOYSA-N 0 1 296.374 2.789 20 10 CFCDMN CCn1cc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cn1 ZINC000733789952 574255786 /nfs/dbraw/zinc/25/57/86/574255786.db2.gz AMUZDWGBFUGESH-UHFFFAOYSA-N 0 1 296.374 2.789 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cccc(F)n2)c1 ZINC000756770841 574261887 /nfs/dbraw/zinc/26/18/87/574261887.db2.gz XVNPZBTYVAOFRE-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000756788978 574263304 /nfs/dbraw/zinc/26/33/04/574263304.db2.gz ZUVDYTMYGAARLH-JTQLQIEISA-N 0 1 277.755 2.729 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798862 574310348 /nfs/dbraw/zinc/31/03/48/574310348.db2.gz UACGBWFAIHHLAG-HUUCEWRRSA-N 0 1 298.386 2.799 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798862 574310351 /nfs/dbraw/zinc/31/03/51/574310351.db2.gz UACGBWFAIHHLAG-HUUCEWRRSA-N 0 1 298.386 2.799 20 10 CFCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000742375685 574325757 /nfs/dbraw/zinc/32/57/57/574325757.db2.gz RGGOGPBCAGKBMG-CQSZACIVSA-N 0 1 281.739 2.636 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813674 574395559 /nfs/dbraw/zinc/39/55/59/574395559.db2.gz RRWGAFRTAMTMMO-TZMCWYRMSA-N 0 1 286.375 2.676 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813674 574395560 /nfs/dbraw/zinc/39/55/60/574395560.db2.gz RRWGAFRTAMTMMO-TZMCWYRMSA-N 0 1 286.375 2.676 20 10 CFCDMN CCOC(=O)[C@H](CC1CC1)NCc1cccc(Cl)c1O ZINC000753568586 574404833 /nfs/dbraw/zinc/40/48/33/574404833.db2.gz LGKBNWMBARWWSJ-ZDUSSCGKSA-N 0 1 297.782 2.867 20 10 CFCDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000821511404 598128780 /nfs/dbraw/zinc/12/87/80/598128780.db2.gz JWJUHMPKBSDLDN-HNNXBMFYSA-N 0 1 288.391 2.583 20 10 CFCDMN O=C([O-])[C@]1(F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000833176008 601371771 /nfs/dbraw/zinc/37/17/71/601371771.db2.gz VTCNGJUBCWMYJD-INIZCTEOSA-N 0 1 289.306 2.544 20 10 CFCDMN CC[C@H](C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000828747658 601825441 /nfs/dbraw/zinc/82/54/41/601825441.db2.gz RVTBSTWPWVTVOC-JTQLQIEISA-N 0 1 285.771 2.978 20 10 CFCDMN Cc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000315820710 604465440 /nfs/dbraw/zinc/46/54/40/604465440.db2.gz AUCDEKSYYHIAHR-INIZCTEOSA-N 0 1 297.354 2.712 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000227229744 604679747 /nfs/dbraw/zinc/67/97/47/604679747.db2.gz YUFGOMVHOBPLHC-XBFCOCLRSA-N 0 1 275.348 2.610 20 10 CFCDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000086791053 604981411 /nfs/dbraw/zinc/98/14/11/604981411.db2.gz IQDNYAVHDXUYPZ-CYBMUJFWSA-N 0 1 285.343 2.985 20 10 CFCDMN CN(Cc1cnn(C2CCC2)c1)Cc1ccccc1O ZINC000891713490 617724795 /nfs/dbraw/zinc/72/47/95/617724795.db2.gz GFAXGIIAPGIBNG-UHFFFAOYSA-N 0 1 271.364 2.946 20 10 CFCDMN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000806169042 617806821 /nfs/dbraw/zinc/80/68/21/617806821.db2.gz HMRRHVFRCJEKLK-QWRGUYRKSA-N 0 1 271.788 2.961 20 10 CFCDMN CCC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1 ZINC000160508442 618099678 /nfs/dbraw/zinc/09/96/78/618099678.db2.gz QOBPGIUCVDEKPW-CQSZACIVSA-N 0 1 279.380 2.710 20 10 CFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000280268802 618230155 /nfs/dbraw/zinc/23/01/55/618230155.db2.gz MJYZIKNBYDTNBK-IUODEOHRSA-N 0 1 299.370 2.786 20 10 CFCDMN CC(C)(C)[N@H+]1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893980146 618259491 /nfs/dbraw/zinc/25/94/91/618259491.db2.gz IXLJLFVFZKKVNI-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN C[C@H]1SCC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894035222 618277445 /nfs/dbraw/zinc/27/74/45/618277445.db2.gz WRNNQNLJYRYPHF-DTWKUNHWSA-N 0 1 273.348 2.996 20 10 CFCDMN C[C@@H]1SCC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894035223 618277660 /nfs/dbraw/zinc/27/76/60/618277660.db2.gz WRNNQNLJYRYPHF-IUCAKERBSA-N 0 1 273.348 2.996 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)C(C)(C)C ZINC000894082849 618306094 /nfs/dbraw/zinc/30/60/94/618306094.db2.gz FUAVQKHXUBJUGJ-GFCCVEGCSA-N 0 1 273.323 2.509 20 10 CFCDMN CCc1cc(CNCc2cc(C)cc(OC)c2O)on1 ZINC000894139039 618386500 /nfs/dbraw/zinc/38/65/00/618386500.db2.gz RAOMTVKEYRGWBF-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN C[C@H]1CCSCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877473953 618391963 /nfs/dbraw/zinc/39/19/63/618391963.db2.gz OKHARERUTGIBDD-VIFPVBQESA-N 0 1 273.348 2.998 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895150312 618394424 /nfs/dbraw/zinc/39/44/24/618394424.db2.gz JUQWRESOLGLWPO-LBPRGKRZSA-N 0 1 287.762 2.922 20 10 CFCDMN Cn1nc2c(c1C[NH2+]Cc1cc(Cl)ccc1[O-])CCC2 ZINC000895156033 618402348 /nfs/dbraw/zinc/40/23/48/618402348.db2.gz QPZARZCVHQYEDH-UHFFFAOYSA-N 0 1 291.782 2.558 20 10 CFCDMN COc1cc(C)cc(CNCc2csc(C)n2)c1O ZINC000894165800 618410626 /nfs/dbraw/zinc/41/06/26/618410626.db2.gz UMBRVVJRHPSIIM-UHFFFAOYSA-N 0 1 278.377 2.764 20 10 CFCDMN CC1=NO[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000895304626 618520159 /nfs/dbraw/zinc/52/01/59/618520159.db2.gz KQJYTXXADQXOJI-CQSZACIVSA-N 0 1 270.332 2.800 20 10 CFCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000119300501 618801347 /nfs/dbraw/zinc/80/13/47/618801347.db2.gz KZTMCBUPMJTSBZ-LLVKDONJSA-N 0 1 297.782 2.821 20 10 CFCDMN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000119300501 618801352 /nfs/dbraw/zinc/80/13/52/618801352.db2.gz KZTMCBUPMJTSBZ-LLVKDONJSA-N 0 1 297.782 2.821 20 10 CFCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000119300501 618801357 /nfs/dbraw/zinc/80/13/57/618801357.db2.gz KZTMCBUPMJTSBZ-LLVKDONJSA-N 0 1 297.782 2.821 20 10 CFCDMN Cc1ccnc(N)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000893864189 619230659 /nfs/dbraw/zinc/23/06/59/619230659.db2.gz SFXVFKGDOIWBGZ-UHFFFAOYSA-N 0 1 284.407 2.670 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000894421954 619382890 /nfs/dbraw/zinc/38/28/90/619382890.db2.gz YQNGMFHVHSOSNL-HZMBPMFUSA-N 0 1 285.334 2.653 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2nccn2C2CC2)c1 ZINC000894502170 619405310 /nfs/dbraw/zinc/40/53/10/619405310.db2.gz MSOVDTURGAXPAD-LLVKDONJSA-N 0 1 287.363 2.783 20 10 CFCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533590 619411601 /nfs/dbraw/zinc/41/16/01/619411601.db2.gz TYVTYSHPXVAWOG-GPCCPHFNSA-N 0 1 285.334 2.652 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000894697917 619446667 /nfs/dbraw/zinc/44/66/67/619446667.db2.gz QDKZQQRTCFBBOE-OAHLLOKOSA-N 0 1 283.318 2.673 20 10 CFCDMN CCCC[N@@H+](CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894777090 619463049 /nfs/dbraw/zinc/46/30/49/619463049.db2.gz MSJYSBOKOHBLCF-UHFFFAOYSA-N 0 1 273.323 2.655 20 10 CFCDMN Cc1nc([C@H](C)NCc2c(O)cc(C)cc2Cl)n[nH]1 ZINC000894779433 619463965 /nfs/dbraw/zinc/46/39/65/619463965.db2.gz YDRFZXOLQKLIDA-QMMMGPOBSA-N 0 1 280.759 2.631 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCC(CO)CC1 ZINC000894783169 619466378 /nfs/dbraw/zinc/46/63/78/619466378.db2.gz PXQNIXBSZLOKTC-UHFFFAOYSA-N 0 1 285.334 2.653 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000894866711 619490713 /nfs/dbraw/zinc/49/07/13/619490713.db2.gz YWIOGTWUEHWNCW-HZPDHXFCSA-N 0 1 295.329 2.814 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894901997 619506876 /nfs/dbraw/zinc/50/68/76/619506876.db2.gz IGTTTYFDJQEKTB-NOZJJQNGSA-N 0 1 271.307 2.527 20 10 CFCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916312 619512527 /nfs/dbraw/zinc/51/25/27/619512527.db2.gz FAEYFDGWTYBLTI-GFCCVEGCSA-N 0 1 285.334 2.653 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](CF)C1 ZINC000895573196 619557072 /nfs/dbraw/zinc/55/70/72/619557072.db2.gz OHXKLSPRVQQOKZ-MRVPVSSYSA-N 0 1 261.699 2.976 20 10 CFCDMN COC(=O)c1sccc1CNCc1cc(C)ccc1O ZINC000895580317 619562889 /nfs/dbraw/zinc/56/28/89/619562889.db2.gz HKJZVSMFFKIIHI-UHFFFAOYSA-N 0 1 291.372 2.839 20 10 CFCDMN [O-]c1c(C[NH2+]C2(c3ncccn3)CCC2)ccc(F)c1F ZINC000895622162 619569721 /nfs/dbraw/zinc/56/97/21/619569721.db2.gz IGCZAVCRUKAMIA-UHFFFAOYSA-N 0 1 291.301 2.629 20 10 CFCDMN Oc1c(CN2CCCn3nncc3C2)ccc2ccccc21 ZINC000895755705 619600202 /nfs/dbraw/zinc/60/02/02/619600202.db2.gz MTCRYGKLNUDZNG-UHFFFAOYSA-N 0 1 294.358 2.543 20 10 CFCDMN COc1cc(C)cc(CNCc2cc(C3CC3)no2)c1O ZINC000895763560 619602351 /nfs/dbraw/zinc/60/23/51/619602351.db2.gz IOTGJDKOIIBSHJ-UHFFFAOYSA-N 0 1 288.347 2.864 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1Cl ZINC000895780309 619608908 /nfs/dbraw/zinc/60/89/08/619608908.db2.gz GHGKHKPYOGCJRT-SUHUHFCYSA-N 0 1 281.783 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1Cl ZINC000895780309 619608911 /nfs/dbraw/zinc/60/89/11/619608911.db2.gz GHGKHKPYOGCJRT-SUHUHFCYSA-N 0 1 281.783 2.557 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc(F)c1F ZINC000895841352 619616985 /nfs/dbraw/zinc/61/69/85/619616985.db2.gz BSNIVBMPHRVPDT-ZWNOBZJWSA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000896238856 619702025 /nfs/dbraw/zinc/70/20/25/619702025.db2.gz GSRLBQVXSOBILE-JTQLQIEISA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000896238856 619702027 /nfs/dbraw/zinc/70/20/27/619702027.db2.gz GSRLBQVXSOBILE-JTQLQIEISA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000896238856 619702028 /nfs/dbraw/zinc/70/20/28/619702028.db2.gz GSRLBQVXSOBILE-JTQLQIEISA-N 0 1 293.754 2.727 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000896584272 619767223 /nfs/dbraw/zinc/76/72/23/619767223.db2.gz NEHRMMYSWUXCSD-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN Cc1cccc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000896598221 619771638 /nfs/dbraw/zinc/77/16/38/619771638.db2.gz FRHRUKSMWNQQFT-AWEZNQCLSA-N 0 1 269.348 2.732 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000897069217 619924782 /nfs/dbraw/zinc/92/47/82/619924782.db2.gz SMXHUMQGEGBVCL-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN CCc1cccc(CNCc2cc(C3CC3)n(C)n2)c1O ZINC000897230473 619954956 /nfs/dbraw/zinc/95/49/56/619954956.db2.gz LLJPIVWIUYWKSU-UHFFFAOYSA-N 0 1 285.391 2.855 20 10 CFCDMN C[C@H]([NH2+]CCSCCCO)c1ccc(Cl)cc1[O-] ZINC000841746170 620188641 /nfs/dbraw/zinc/18/86/41/620188641.db2.gz CWMREOWEBXYOAL-JTQLQIEISA-N 0 1 289.828 2.812 20 10 CFCDMN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841753773 620236314 /nfs/dbraw/zinc/23/63/14/620236314.db2.gz WBSPDOJHDYUFFR-DYBLOJMWSA-N 0 1 287.812 2.607 20 10 CFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756537 620250559 /nfs/dbraw/zinc/25/05/59/620250559.db2.gz XEEDUKZSLUAWPX-VHSXEESVSA-N 0 1 284.787 2.609 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841765099 620259972 /nfs/dbraw/zinc/25/99/72/620259972.db2.gz VBSGBGLDQCIBLW-VXGBXAGGSA-N 0 1 299.798 2.749 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CC(CCO)C2)cc1Cl ZINC000898016122 620323281 /nfs/dbraw/zinc/32/32/81/620323281.db2.gz XTFPPKHCFIBMPR-UHFFFAOYSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)C2CC2)cc1Cl ZINC000898198533 620353598 /nfs/dbraw/zinc/35/35/98/620353598.db2.gz DRZVRGIQUKXXJL-CYBMUJFWSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2csc(N)n2)c(O)c1 ZINC000902498929 621104689 /nfs/dbraw/zinc/10/46/89/621104689.db2.gz JHEXTNILPPVJHX-SNVBAGLBSA-N 0 1 277.393 2.899 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300601 621315381 /nfs/dbraw/zinc/31/53/81/621315381.db2.gz IPRDQSBPDTXNJB-KWBADKCTSA-N 0 1 268.788 2.789 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(Cl)cc1[O-] ZINC000903287405 621318428 /nfs/dbraw/zinc/31/84/28/621318428.db2.gz RVILWOCIUQYSMF-LXWXXRIVSA-N 0 1 279.767 2.872 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)ccc1[O-] ZINC000903318875 621320855 /nfs/dbraw/zinc/32/08/55/621320855.db2.gz UCPWNFFKEYIQMO-DGCLKSJQSA-N 0 1 268.788 2.790 20 10 CFCDMN Cc1[nH+]c(NCc2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000910276759 622423296 /nfs/dbraw/zinc/42/32/96/622423296.db2.gz LSYUFBUXJJSJNU-UHFFFAOYSA-N 0 1 285.347 2.766 20 10 CFCDMN CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000226250840 623063438 /nfs/dbraw/zinc/06/34/38/623063438.db2.gz KGXQPDBUXMIHPU-ZDUSSCGKSA-N 0 1 257.761 2.686 20 10 CFCDMN CCOC(=O)CN(Cc1ccccc1O)CC1CCCC1 ZINC000822512039 623118224 /nfs/dbraw/zinc/11/82/24/623118224.db2.gz SMLLOCDIDWHRHG-UHFFFAOYSA-N 0 1 291.391 2.948 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1 ZINC000245538788 623507321 /nfs/dbraw/zinc/50/73/21/623507321.db2.gz KJQAYKNKHQKSBS-TZMCWYRMSA-N 0 1 279.380 2.709 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637717 623537630 /nfs/dbraw/zinc/53/76/30/623537630.db2.gz ZJGWBRCJGLXEQF-BXKDBHETSA-N 0 1 287.762 2.778 20 10 CFCDMN CS[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000824683420 623545004 /nfs/dbraw/zinc/54/50/04/623545004.db2.gz JIOGWNJSANJBNO-NSHDSACASA-N 0 1 257.786 2.983 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000824683420 623545007 /nfs/dbraw/zinc/54/50/07/623545007.db2.gz JIOGWNJSANJBNO-NSHDSACASA-N 0 1 257.786 2.983 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000824815494 623571557 /nfs/dbraw/zinc/57/15/57/623571557.db2.gz RBEIOTBZHOBYEI-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000824815494 623571559 /nfs/dbraw/zinc/57/15/59/623571559.db2.gz RBEIOTBZHOBYEI-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1Cl ZINC000824920547 623588031 /nfs/dbraw/zinc/58/80/31/623588031.db2.gz QXQSHQZMBRBUMX-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1Cl ZINC000824920547 623588035 /nfs/dbraw/zinc/58/80/35/623588035.db2.gz QXQSHQZMBRBUMX-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN COCC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825179576 623644980 /nfs/dbraw/zinc/64/49/80/623644980.db2.gz ZKKFCUCUPVKAAE-JTQLQIEISA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCOC2)cc1Cl ZINC000825222557 623652940 /nfs/dbraw/zinc/65/29/40/623652940.db2.gz JMOHGCFREHMRKB-NSHDSACASA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCNC(=O)C(C)(C)C)cc1Cl ZINC000825246716 623658876 /nfs/dbraw/zinc/65/88/76/623658876.db2.gz HAHKPXJANLDNLR-UHFFFAOYSA-N 0 1 298.814 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOCC2CC2)cc1Cl ZINC000825259198 623660730 /nfs/dbraw/zinc/66/07/30/623660730.db2.gz HFXXWXVCELKLRV-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC[S@@](C)=O)cc1Cl ZINC000825341256 623675508 /nfs/dbraw/zinc/67/55/08/623675508.db2.gz FFHSEHIGYISSJR-XTZNXHDOSA-N 0 1 289.828 2.601 20 10 CFCDMN CC[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825358045 623680261 /nfs/dbraw/zinc/68/02/61/623680261.db2.gz MZJMYNDGVDNQIN-NSHDSACASA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2(CO)CCCC2)cc1Cl ZINC000825428970 623685999 /nfs/dbraw/zinc/68/59/99/623685999.db2.gz DQNPZNFOXSOCAG-UHFFFAOYSA-N 0 1 269.772 2.749 20 10 CFCDMN COC(=O)CC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825413326 623689205 /nfs/dbraw/zinc/68/92/05/623689205.db2.gz VCYRTKIERUWRQM-UHFFFAOYSA-N 0 1 297.782 2.929 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CC[C@H](C)C2)cc1Cl ZINC000825428689 623692160 /nfs/dbraw/zinc/69/21/60/623692160.db2.gz AWMQGNXDSIIFEJ-NSHDSACASA-N 0 1 282.815 2.785 20 10 CFCDMN C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825536903 623710918 /nfs/dbraw/zinc/71/09/18/623710918.db2.gz OPTVXOOAAWKTBL-MVZIDQBPSA-N 0 1 269.772 2.771 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H](C)O)cc1Cl ZINC000825726058 623747025 /nfs/dbraw/zinc/74/70/25/623747025.db2.gz DNSZDSIYENKJHN-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(CO)CC2)cc1Cl ZINC000825629469 623726099 /nfs/dbraw/zinc/72/60/99/623726099.db2.gz WZRODXDEVXIWDB-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(CO)CC2)cc1Cl ZINC000825629469 623726106 /nfs/dbraw/zinc/72/61/06/623726106.db2.gz WZRODXDEVXIWDB-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(O)CCC2)cc1Cl ZINC000825843077 623760716 /nfs/dbraw/zinc/76/07/16/623760716.db2.gz LLWADOPZHWHEBK-UHFFFAOYSA-N 0 1 269.772 2.749 20 10 CFCDMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825948664 623774299 /nfs/dbraw/zinc/77/42/99/623774299.db2.gz HVHQAWFVTFHDIO-BDAKNGLRSA-N 0 1 288.185 2.668 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)CO ZINC000826017840 623782746 /nfs/dbraw/zinc/78/27/46/623782746.db2.gz WFXYOQGIRCAULM-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)CO ZINC000826017840 623782751 /nfs/dbraw/zinc/78/27/51/623782751.db2.gz WFXYOQGIRCAULM-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000232783895 623795008 /nfs/dbraw/zinc/79/50/08/623795008.db2.gz IJVNPKZKBRBQMX-QGZVFWFLSA-N 0 1 290.407 2.685 20 10 CFCDMN COCC1(C)CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000826113711 623795861 /nfs/dbraw/zinc/79/58/61/623795861.db2.gz OYPKFYABMHVFIT-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN COCCN(CCF)Cc1c(O)ccc(Cl)c1F ZINC000827054636 623932641 /nfs/dbraw/zinc/93/26/41/623932641.db2.gz VFAVGEKJXRBXDL-UHFFFAOYSA-N 0 1 279.714 2.603 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507054 624020647 /nfs/dbraw/zinc/02/06/47/624020647.db2.gz SJQIKWWPJVRWMZ-MWLCHTKSSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827601675 624042754 /nfs/dbraw/zinc/04/27/54/624042754.db2.gz GWFFOLVEDZFUDW-UWVGGRQHSA-N 0 1 285.746 2.653 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@]1(C)CO ZINC000827692860 624065567 /nfs/dbraw/zinc/06/55/67/624065567.db2.gz QWXREDYNEUGALE-LKFCYVNXSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1Cl ZINC000827691851 624065646 /nfs/dbraw/zinc/06/56/46/624065646.db2.gz CONHPYRSHPSDGV-NHYWBVRUSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)cc1Cl ZINC000827691851 624065650 /nfs/dbraw/zinc/06/56/50/624065650.db2.gz CONHPYRSHPSDGV-NHYWBVRUSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@@H](O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827812790 624099784 /nfs/dbraw/zinc/09/97/84/624099784.db2.gz AIZXDFXWTITFQL-CYBMUJFWSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@@H](O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827812790 624099786 /nfs/dbraw/zinc/09/97/86/624099786.db2.gz AIZXDFXWTITFQL-CYBMUJFWSA-N 0 1 263.381 2.908 20 10 CFCDMN Oc1ccc2ccncc2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000917449775 624344382 /nfs/dbraw/zinc/34/43/82/624344382.db2.gz QUVBLSCFCWVQOJ-ZDUSSCGKSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000917449775 624344386 /nfs/dbraw/zinc/34/43/86/624344386.db2.gz QUVBLSCFCWVQOJ-ZDUSSCGKSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000917449775 624344395 /nfs/dbraw/zinc/34/43/95/624344395.db2.gz QUVBLSCFCWVQOJ-ZDUSSCGKSA-N 0 1 298.386 2.941 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)C/C=C(/C)C(=O)[O-])cc1 ZINC000829684009 624507354 /nfs/dbraw/zinc/50/73/54/624507354.db2.gz KFKOINSYELLDMD-KAMYIIQDSA-N 0 1 290.407 2.996 20 10 CFCDMN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(F)ccc1[O-] ZINC000185736834 625768802 /nfs/dbraw/zinc/76/88/02/625768802.db2.gz WLZYZAYQOWRMIV-GMXVVIOVSA-N 0 1 267.344 2.733 20 10 CFCDMN CCn1ccnc1[C@@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834895801 625912825 /nfs/dbraw/zinc/91/28/25/625912825.db2.gz RMRGYNDPSUKURO-YPMHNXCESA-N 0 1 271.364 2.947 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000834905636 625918224 /nfs/dbraw/zinc/91/82/24/625918224.db2.gz JCUCQUAFYOVEEI-UMNHJUIQSA-N 0 1 255.745 2.610 20 10 CFCDMN CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834910311 625919945 /nfs/dbraw/zinc/91/99/45/625919945.db2.gz WIPSCTVQLCXYFJ-WFASDCNBSA-N 0 1 296.798 2.755 20 10 CFCDMN C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc2ccccc2c1[O-] ZINC000834908085 625920072 /nfs/dbraw/zinc/92/00/72/625920072.db2.gz GVVJFBYYVQHQQO-KPZWWZAWSA-N 0 1 298.386 2.865 20 10 CFCDMN Oc1ccccc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921653605 626048808 /nfs/dbraw/zinc/04/88/08/626048808.db2.gz UDUMMVNSPOIRGA-UHFFFAOYSA-N 0 1 277.755 2.936 20 10 CFCDMN CCn1cc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921752741 626108482 /nfs/dbraw/zinc/10/84/82/626108482.db2.gz MBMCNBFGPVDYEE-UHFFFAOYSA-N 0 1 271.364 2.518 20 10 CFCDMN Cc1nocc1CNCc1ccc2c(c1)CCCO2 ZINC000922301535 626263577 /nfs/dbraw/zinc/26/35/77/626263577.db2.gz GPFCTTWRKHTCHS-UHFFFAOYSA-N 0 1 258.321 2.598 20 10 CFCDMN COc1cccc(O)c1CNCc1cccc2c1OCC2 ZINC000922943538 626429190 /nfs/dbraw/zinc/42/91/90/626429190.db2.gz FNJMRNWHEMNFFQ-UHFFFAOYSA-N 0 1 285.343 2.626 20 10 CFCDMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000923249179 626459698 /nfs/dbraw/zinc/45/96/98/626459698.db2.gz MIUPGQSXUUUVRG-MLGOLLRUSA-N 0 1 290.407 2.746 20 10 CFCDMN COCC1(C)CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839143481 626528875 /nfs/dbraw/zinc/52/88/75/626528875.db2.gz MHOUOHKEPMGJFY-WAYWQWQTSA-N 0 1 274.408 2.734 20 10 CFCDMN C[C@@H]1C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805058787 626541746 /nfs/dbraw/zinc/54/17/46/626541746.db2.gz ZSEFZRORCPHZCA-LHLIQPBNSA-N 0 1 289.162 2.907 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(F)(F)F ZINC000765790981 627158061 /nfs/dbraw/zinc/15/80/61/627158061.db2.gz YFZZRDITWGDQMF-KOLCDFICSA-N 0 1 297.704 2.837 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)OC[C@@H]2CC)c(O)c1 ZINC000768171382 627322966 /nfs/dbraw/zinc/32/29/66/627322966.db2.gz DHDGSFFTHRRMHZ-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1cc(CN2CCOC(C)(C)[C@H]2C)c(O)cc1C ZINC000768461900 627345381 /nfs/dbraw/zinc/34/53/81/627345381.db2.gz HHJLDHIVSZXJNK-GFCCVEGCSA-N 0 1 279.380 2.709 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768842549 627378700 /nfs/dbraw/zinc/37/87/00/627378700.db2.gz UHQQTHZLVKYBTF-NSHDSACASA-N 0 1 295.766 2.579 20 10 CFCDMN CCOc1ccc(CN[C@H](CCO)c2ccco2)c(O)c1 ZINC000768945170 627388605 /nfs/dbraw/zinc/38/86/05/627388605.db2.gz FJEMHJBXGKWRMW-CQSZACIVSA-N 0 1 291.347 2.597 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@H](COC)C2)c(O)c1 ZINC000769402562 627434852 /nfs/dbraw/zinc/43/48/52/627434852.db2.gz KBUGJRREYHQLTC-ZDUSSCGKSA-N 0 1 279.380 2.649 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000769513826 627450120 /nfs/dbraw/zinc/45/01/20/627450120.db2.gz FOEGLJWHBVPBIR-HIFRSBDPSA-N 0 1 291.391 2.649 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 ZINC000773764750 627857137 /nfs/dbraw/zinc/85/71/37/627857137.db2.gz DMGPVCWMNJFABX-KGLIPLIRSA-N 0 1 262.397 2.752 20 10 CFCDMN COc1ccc(CN[C@H](C)c2ccnn2C)cc1C ZINC000774161462 627896201 /nfs/dbraw/zinc/89/62/01/627896201.db2.gz NLUBOFTZAUZJJJ-GFCCVEGCSA-N 0 1 259.353 2.588 20 10 CFCDMN CC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774835165 627969456 /nfs/dbraw/zinc/96/94/56/627969456.db2.gz YSVJPWXMLCXBBR-VIFPVBQESA-N 0 1 268.313 2.539 20 10 CFCDMN CC[C@@H](NCc1nncn1CC)c1cc(Cl)ccc1O ZINC000775488705 628030826 /nfs/dbraw/zinc/03/08/26/628030826.db2.gz RKPAEPNAVBRQRN-GFCCVEGCSA-N 0 1 294.786 2.898 20 10 CFCDMN CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775498377 628032644 /nfs/dbraw/zinc/03/26/44/628032644.db2.gz YSZNUTDNSOXXDA-CYBMUJFWSA-N 0 1 298.814 2.955 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCOCC12CCC2 ZINC000775709846 628057921 /nfs/dbraw/zinc/05/79/21/628057921.db2.gz YDCRCKNNZWFRGK-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN CC[N@H+]1C[C@@H](C)N(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775713977 628058240 /nfs/dbraw/zinc/05/82/40/628058240.db2.gz XZUWOIZMWKVMOE-NWDGAFQWSA-N 0 1 282.815 2.960 20 10 CFCDMN CC[C@]1(C)COCCN1Cc1ccc(N(C)C)cc1 ZINC000775982172 628089858 /nfs/dbraw/zinc/08/98/58/628089858.db2.gz YRVAZFPBIBYXPM-MRXNPFEDSA-N 0 1 262.397 2.754 20 10 CFCDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775987032 628092507 /nfs/dbraw/zinc/09/25/07/628092507.db2.gz UATGMJUIZHKCOC-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000777219180 628208817 /nfs/dbraw/zinc/20/88/17/628208817.db2.gz HTOOJOREVHBLSL-SNVBAGLBSA-N 0 1 298.814 2.781 20 10 CFCDMN C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892311 628502831 /nfs/dbraw/zinc/50/28/31/628502831.db2.gz KGQUFLFSRMJUJZ-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892311 628502835 /nfs/dbraw/zinc/50/28/35/628502835.db2.gz KGQUFLFSRMJUJZ-QWRGUYRKSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782295746 628625367 /nfs/dbraw/zinc/62/53/67/628625367.db2.gz FEJMESUVMQLCOJ-UHFFFAOYSA-N 0 1 284.359 2.553 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOCC2(CC2)C1 ZINC000782295746 628625369 /nfs/dbraw/zinc/62/53/69/628625369.db2.gz FEJMESUVMQLCOJ-UHFFFAOYSA-N 0 1 284.359 2.553 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)[C@@H](C)O1 ZINC000783542644 628718806 /nfs/dbraw/zinc/71/88/06/628718806.db2.gz XGJIYMXSSGPBKK-JHJVBQTASA-N 0 1 286.375 2.938 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)[C@@H](C)O1 ZINC000783542644 628718809 /nfs/dbraw/zinc/71/88/09/628718809.db2.gz XGJIYMXSSGPBKK-JHJVBQTASA-N 0 1 286.375 2.938 20 10 CFCDMN COc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c(O)cc1C ZINC000783544011 628719040 /nfs/dbraw/zinc/71/90/40/628719040.db2.gz NZKWUBOHJIUFCU-YNEHKIRRSA-N 0 1 279.380 2.707 20 10 CFCDMN COc1cccc(CNCc2ccc(N(C)C)cc2C)n1 ZINC000790964632 629274991 /nfs/dbraw/zinc/27/49/91/629274991.db2.gz ANNJMXJPTHQWOK-UHFFFAOYSA-N 0 1 285.391 2.754 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000835028197 629324635 /nfs/dbraw/zinc/32/46/35/629324635.db2.gz KMGHZFMSWNIZEM-VYRCICMXSA-N 0 1 272.392 2.629 20 10 CFCDMN CC(C)N(C/C=C\c1ccc(N(C)C)cc1)C1COC1 ZINC000835054268 629356357 /nfs/dbraw/zinc/35/63/57/629356357.db2.gz IHLBNHRSSURLLE-WAYWQWQTSA-N 0 1 274.408 2.875 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[C@H](O)CC1 ZINC000792180667 629406694 /nfs/dbraw/zinc/40/66/94/629406694.db2.gz RHRVEHZFEUDMOH-MGCOHNPYSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C2CC2)O1 ZINC000794653275 629671337 /nfs/dbraw/zinc/67/13/37/629671337.db2.gz LQICNUDXEKQGLL-KZULUSFZSA-N 0 1 298.386 2.940 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C2CC2)O1 ZINC000794653275 629671340 /nfs/dbraw/zinc/67/13/40/629671340.db2.gz LQICNUDXEKQGLL-KZULUSFZSA-N 0 1 298.386 2.940 20 10 CFCDMN Cc1nn(C(C)C)cc1CNCc1ccc2c(c1)CCO2 ZINC000798494102 630195722 /nfs/dbraw/zinc/19/57/22/630195722.db2.gz JKZFPYLEILYPRX-UHFFFAOYSA-N 0 1 285.391 2.997 20 10 CFCDMN Cc1nc2cccc(C(=O)NCc3ccccc3O)c2[nH]1 ZINC000801927902 630490403 /nfs/dbraw/zinc/49/04/03/630490403.db2.gz GIXXDVWDRXGGFG-UHFFFAOYSA-N 0 1 281.315 2.507 20 10 CFCDMN Cc1cc(Br)cc(CN2CC(C)C2)c1O ZINC000802651049 630535434 /nfs/dbraw/zinc/53/54/34/630535434.db2.gz HWIVPJSUEDDICS-UHFFFAOYSA-N 0 1 270.170 2.915 20 10 CFCDMN CC(C)n1cc(CNCCCSc2nccs2)nn1 ZINC000808388780 630985364 /nfs/dbraw/zinc/98/53/64/630985364.db2.gz MGNLIDSQCJIWHW-UHFFFAOYSA-N 0 1 297.453 2.588 20 10 CFCDMN Oc1ccc2ccccc2c1CN1CCO[C@H](CF)C1 ZINC000840170842 631107809 /nfs/dbraw/zinc/10/78/09/631107809.db2.gz ASTNRNJEGHEMKS-CYBMUJFWSA-N 0 1 275.323 2.716 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000840825749 631232376 /nfs/dbraw/zinc/23/23/76/631232376.db2.gz KOIRWAXRNAWOCL-GXTWGEPZSA-N 0 1 298.386 2.722 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCCCC2)c(Cl)c1 ZINC000840874393 631247864 /nfs/dbraw/zinc/24/78/64/631247864.db2.gz FTUGJAJIAMWYCZ-UHFFFAOYSA-N 0 1 282.815 2.930 20 10 CFCDMN CCN1CCC[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840877393 631248931 /nfs/dbraw/zinc/24/89/31/631248931.db2.gz WCRZJTLSBSGZSL-LBPRGKRZSA-N 0 1 282.815 2.928 20 10 CFCDMN COC[C@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840886254 631250955 /nfs/dbraw/zinc/25/09/55/631250955.db2.gz TYVGIAHDVHLRID-SNVBAGLBSA-N 0 1 257.761 2.726 20 10 CFCDMN CCn1cc[nH+]c1NCc1cccc(Br)c1[O-] ZINC000840887259 631251873 /nfs/dbraw/zinc/25/18/73/631251873.db2.gz URWYPKYQERJPAT-UHFFFAOYSA-N 0 1 296.168 2.983 20 10 CFCDMN CN(C)c1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887350 631252217 /nfs/dbraw/zinc/25/22/17/631252217.db2.gz KSOZAKUNVCDGMP-UHFFFAOYSA-N 0 1 256.353 2.896 20 10 CFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840891979 631254698 /nfs/dbraw/zinc/25/46/98/631254698.db2.gz WQRDJDXISKQWLZ-UWVGGRQHSA-N 0 1 284.787 2.609 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC[S@@](C)=O)c(Cl)c1 ZINC000840903944 631255278 /nfs/dbraw/zinc/25/52/78/631255278.db2.gz DNMBOCNTBQWCLP-XTZNXHDOSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C2CC2)c(Cl)c1 ZINC000840897937 631255443 /nfs/dbraw/zinc/25/54/43/631255443.db2.gz VKCJPVMDAXYXNY-CQSZACIVSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)C[C@H](C)O)c(Cl)c1 ZINC000840898867 631255555 /nfs/dbraw/zinc/25/55/55/631255555.db2.gz GTSXLPJITKNOAW-MNOVXSKESA-N 0 1 271.788 2.851 20 10 CFCDMN CCC[C@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896098 631255620 /nfs/dbraw/zinc/25/56/20/631255620.db2.gz DKWVPKBENWGDFV-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN CC[C@@H](O)CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901206 631256590 /nfs/dbraw/zinc/25/65/90/631256590.db2.gz YYCMMLWOVLXLDC-LLVKDONJSA-N 0 1 271.788 2.995 20 10 CFCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911411 631257060 /nfs/dbraw/zinc/25/70/60/631257060.db2.gz ZQEBMUBKOCMQPB-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911411 631257064 /nfs/dbraw/zinc/25/70/64/631257064.db2.gz ZQEBMUBKOCMQPB-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC[S@](C)=O)c(Cl)c1 ZINC000840903942 631257128 /nfs/dbraw/zinc/25/71/28/631257128.db2.gz DNMBOCNTBQWCLP-MGNBDDOMSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(Cl)c1 ZINC000840906108 631257676 /nfs/dbraw/zinc/25/76/76/631257676.db2.gz IWTJJDJZYXVFTB-NSHDSACASA-N 0 1 291.782 2.724 20 10 CFCDMN Cc1c(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cnn1C ZINC000840908354 631258393 /nfs/dbraw/zinc/25/83/93/631258393.db2.gz VVNJKVDBEJVTTG-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H](C)O)CC2)c(Cl)c1 ZINC000840913874 631262706 /nfs/dbraw/zinc/26/27/06/631262706.db2.gz KIZHOBVHCPYXDS-LLVKDONJSA-N 0 1 283.799 2.947 20 10 CFCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840915825 631263257 /nfs/dbraw/zinc/26/32/57/631263257.db2.gz FSBQEZMNCPXISW-GHMZBOCLSA-N 0 1 297.782 2.595 20 10 CFCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840915825 631263258 /nfs/dbraw/zinc/26/32/58/631263258.db2.gz FSBQEZMNCPXISW-GHMZBOCLSA-N 0 1 297.782 2.595 20 10 CFCDMN CC[N@H+](CCCO)Cc1c([O-])cc(C)cc1Cl ZINC000840917905 631264943 /nfs/dbraw/zinc/26/49/43/631264943.db2.gz VFFAMDYJKYBJRF-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN CC[N@@H+](CCCO)Cc1c([O-])cc(C)cc1Cl ZINC000840917905 631264945 /nfs/dbraw/zinc/26/49/45/631264945.db2.gz VFFAMDYJKYBJRF-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(Cl)c1 ZINC000840938694 631269869 /nfs/dbraw/zinc/26/98/69/631269869.db2.gz QJKSUWRMVAMQGD-STQMWFEESA-N 0 1 269.772 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CCC2)c(Cl)c1 ZINC000840938848 631271007 /nfs/dbraw/zinc/27/10/07/631271007.db2.gz HOWDBSXNZYAOGZ-UHFFFAOYSA-N 0 1 282.815 2.928 20 10 CFCDMN COCCN(Cc1c(O)cc(C)cc1Cl)[C@@H]1CCOC1 ZINC000840941093 631271708 /nfs/dbraw/zinc/27/17/08/631271708.db2.gz ROBQZYMJSZPIET-GFCCVEGCSA-N 0 1 299.798 2.591 20 10 CFCDMN COc1cccc(CNCc2cccc(F)c2F)c1O ZINC000809740199 631275067 /nfs/dbraw/zinc/27/50/67/631275067.db2.gz OPZRTUNWDDWZKA-UHFFFAOYSA-N 0 1 279.286 2.969 20 10 CFCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H](O)C(C)C ZINC000840967462 631287765 /nfs/dbraw/zinc/28/77/65/631287765.db2.gz NPZKQZVKCURSAM-JSGCOSHPSA-N 0 1 271.788 2.931 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000840977020 631292972 /nfs/dbraw/zinc/29/29/72/631292972.db2.gz ZZFQBEXISJNYBD-HNNXBMFYSA-N 0 1 297.782 2.821 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000840998743 631297945 /nfs/dbraw/zinc/29/79/45/631297945.db2.gz RERRAGOWHBZMCL-BDUNBXCCSA-N 0 1 288.391 2.562 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000840997582 631298310 /nfs/dbraw/zinc/29/83/10/631298310.db2.gz OQLMHPQWXZGVRP-UJAVWCLSSA-N 0 1 288.391 2.562 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841100292 631339967 /nfs/dbraw/zinc/33/99/67/631339967.db2.gz BWTLWYKQLRNOIU-INIZCTEOSA-N 0 1 286.350 2.678 20 10 CFCDMN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000810256685 631350803 /nfs/dbraw/zinc/35/08/03/631350803.db2.gz DVENBJSVDJIWJH-PWSUYJOCSA-N 0 1 287.787 2.748 20 10 CFCDMN Cc1noc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841748251 631464445 /nfs/dbraw/zinc/46/44/45/631464445.db2.gz JPACPSJIOMHHBW-QMMMGPOBSA-N 0 1 281.743 2.630 20 10 CFCDMN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750983 631465305 /nfs/dbraw/zinc/46/53/05/631465305.db2.gz DNKGXPYYUHBJMY-RIEGTJTDSA-N 0 1 299.798 2.890 20 10 CFCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000841751823 631465754 /nfs/dbraw/zinc/46/57/54/631465754.db2.gz KQRQROHHEOHFFT-VZJVUDMVSA-N 0 1 299.798 2.890 20 10 CFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750986 631465943 /nfs/dbraw/zinc/46/59/43/631465943.db2.gz DNKGXPYYUHBJMY-WDBKCZKBSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)ccc1[O-] ZINC000841758413 631467981 /nfs/dbraw/zinc/46/79/81/631467981.db2.gz HHIVZAFFUNFMRU-GMOODISLSA-N 0 1 255.745 2.610 20 10 CFCDMN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000842755384 631730278 /nfs/dbraw/zinc/73/02/78/631730278.db2.gz YBYFFMOQJVYPAX-QWRGUYRKSA-N 0 1 271.788 2.932 20 10 CFCDMN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000812778651 631772355 /nfs/dbraw/zinc/77/23/55/631772355.db2.gz KHEARQZGLIBJIA-LLVKDONJSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843051510 631816152 /nfs/dbraw/zinc/81/61/52/631816152.db2.gz JOWREBOYFNJNBL-UWVGGRQHSA-N 0 1 286.778 2.744 20 10 CFCDMN Cc1nc(CSc2ncc(-c3ccccc3)n2C)n[nH]1 ZINC000813568493 631933835 /nfs/dbraw/zinc/93/38/35/631933835.db2.gz MDZPTKDFNOAATG-UHFFFAOYSA-N 0 1 285.376 2.806 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC1CCOCC1 ZINC000156027109 650040616 /nfs/dbraw/zinc/04/06/16/650040616.db2.gz DHYSEPFJULAUTH-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC1CCOCC1 ZINC000156027109 650040625 /nfs/dbraw/zinc/04/06/25/650040625.db2.gz DHYSEPFJULAUTH-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCOC1 ZINC000156028804 650040858 /nfs/dbraw/zinc/04/08/58/650040858.db2.gz OVFXCEOFXQYSFU-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCOC1 ZINC000156028804 650040865 /nfs/dbraw/zinc/04/08/65/650040865.db2.gz OVFXCEOFXQYSFU-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN Cc1c(NC(=O)c2c(F)ccc(O)c2O)n[nH]c1C(C)C ZINC000844148501 632127241 /nfs/dbraw/zinc/12/72/41/632127241.db2.gz UYRQESXFILYTCR-UHFFFAOYSA-N 0 1 293.298 2.644 20 10 CFCDMN CC[C@@H]1COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815049744 632192037 /nfs/dbraw/zinc/19/20/37/632192037.db2.gz GACAGTGOIMJWMJ-OAHLLOKOSA-N 0 1 262.397 2.672 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000844938979 632343080 /nfs/dbraw/zinc/34/30/80/632343080.db2.gz XOTAXJLUZMMYMQ-XHPSBEMXSA-N 0 1 276.380 2.561 20 10 CFCDMN C[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816514384 632475639 /nfs/dbraw/zinc/47/56/39/632475639.db2.gz VSJIQQMXRULLOQ-QGZVFWFLSA-N 0 1 271.360 2.892 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816514384 632475643 /nfs/dbraw/zinc/47/56/43/632475643.db2.gz VSJIQQMXRULLOQ-QGZVFWFLSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H](O)C(F)(F)F)ccc2ccccc12 ZINC000816538637 632480860 /nfs/dbraw/zinc/48/08/60/632480860.db2.gz ZLCMEJXTMBDMAB-LBPRGKRZSA-N 0 1 285.265 2.558 20 10 CFCDMN CSC[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552431 632482520 /nfs/dbraw/zinc/48/25/20/632482520.db2.gz MDVRSVGZIQEERO-CQSZACIVSA-N 0 1 291.416 2.749 20 10 CFCDMN CC[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552877 632483293 /nfs/dbraw/zinc/48/32/93/632483293.db2.gz ZZNTYZDBKGWQMO-CQSZACIVSA-N 0 1 259.349 2.796 20 10 CFCDMN [O-]c1c(C[NH2+]CC2(CO)CCC2)ccc2ccccc21 ZINC000816567432 632487040 /nfs/dbraw/zinc/48/70/40/632487040.db2.gz AIWIRXQDERYGRM-UHFFFAOYSA-N 0 1 271.360 2.798 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCn3ccnc3C2)ccc2ccccc21 ZINC000816574296 632488327 /nfs/dbraw/zinc/48/83/27/632488327.db2.gz CIOBQYZKFPBOLR-OAHLLOKOSA-N 0 1 293.370 2.847 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc2ccccc21 ZINC000816590202 632490546 /nfs/dbraw/zinc/49/05/46/632490546.db2.gz SZFAWZGEDUXHIL-SWLSCSKDSA-N 0 1 271.360 2.796 20 10 CFCDMN COc1ccc(O)c(CNc2cc3c(cn2)CCC3)c1 ZINC000816660767 632507829 /nfs/dbraw/zinc/50/78/29/632507829.db2.gz OPCKBPPZHIIPLM-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816666674 632508521 /nfs/dbraw/zinc/50/85/21/632508521.db2.gz SWUKSIYSRCXMBU-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816666674 632508525 /nfs/dbraw/zinc/50/85/25/632508525.db2.gz SWUKSIYSRCXMBU-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](CC)OC[C@H]2C)c1 ZINC000846045243 632623585 /nfs/dbraw/zinc/62/35/85/632623585.db2.gz VZTVCZBQNDFHNP-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](CC)OC[C@@H]2C)c1 ZINC000846045237 632623771 /nfs/dbraw/zinc/62/37/71/632623771.db2.gz VZTVCZBQNDFHNP-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2cncs2)cc1 ZINC000846051641 632624781 /nfs/dbraw/zinc/62/47/81/632624781.db2.gz JQWBAQFFSPNVMG-UHFFFAOYSA-N 0 1 291.420 2.720 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000817414553 632625165 /nfs/dbraw/zinc/62/51/65/632625165.db2.gz LLEMKXQIXHHPJU-KCJUWKMLSA-N 0 1 273.735 2.530 20 10 CFCDMN CC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@@H](CC)O1 ZINC000817413504 632625939 /nfs/dbraw/zinc/62/59/39/632625939.db2.gz YOMMWCVLGJXUMS-CHWSQXEVSA-N 0 1 279.380 2.790 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(Cl)c1 ZINC000846072803 632629395 /nfs/dbraw/zinc/62/93/95/632629395.db2.gz HKYROAIQXIYRRD-IUPBHXKESA-N 0 1 267.756 2.764 20 10 CFCDMN COc1cccc([C@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000846168018 632651814 /nfs/dbraw/zinc/65/18/14/632651814.db2.gz GBNCYOMENRGUBA-QWRGUYRKSA-N 0 1 275.352 2.546 20 10 CFCDMN Cc1cc(C[N@H+](CCC(=O)[O-])CC(C)C)ccc1N(C)C ZINC000846264049 632677264 /nfs/dbraw/zinc/67/72/64/632677264.db2.gz NJHKFVPVVQYJOY-UHFFFAOYSA-N 0 1 292.423 2.994 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C ZINC000817881992 632717216 /nfs/dbraw/zinc/71/72/16/632717216.db2.gz SYTUKONOHQFOHR-IINYFYTJSA-N 0 1 277.364 2.552 20 10 CFCDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881045 632717525 /nfs/dbraw/zinc/71/75/25/632717525.db2.gz FIVWHOMSXXBFSJ-KOLCDFICSA-N 0 1 283.755 2.588 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C(=O)[O-] ZINC000818631062 632884538 /nfs/dbraw/zinc/88/45/38/632884538.db2.gz BHMYPODHXAJSBL-TVQRCGJNSA-N 0 1 283.755 2.731 20 10 CFCDMN CCO/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000848079814 633198790 /nfs/dbraw/zinc/19/87/90/633198790.db2.gz PESQHQLBFRXVIW-ONEGZZNKSA-N 0 1 290.146 2.865 20 10 CFCDMN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000848558642 633288681 /nfs/dbraw/zinc/28/86/81/633288681.db2.gz NNKKKHORTKKTBM-YVEFUNNKSA-N 0 1 289.375 2.593 20 10 CFCDMN CCc1cccc(CN2CCOCC23CCC3)c1O ZINC000848887115 633361974 /nfs/dbraw/zinc/36/19/74/633361974.db2.gz NTQKTFNASGJLKC-UHFFFAOYSA-N 0 1 261.365 2.710 20 10 CFCDMN COc1ccc(O)c(CNCc2cc(F)ccc2F)c1 ZINC000107929175 633402219 /nfs/dbraw/zinc/40/22/19/633402219.db2.gz KCNDIVWDZIJTTH-UHFFFAOYSA-N 0 1 279.286 2.969 20 10 CFCDMN CCc1nc(CSc2ncc(Cl)s2)n[nH]1 ZINC000850000384 633787068 /nfs/dbraw/zinc/78/70/68/633787068.db2.gz SQPOGZHSIIWWDM-UHFFFAOYSA-N 0 1 260.775 2.769 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCc2cncc(C)n2)c(Cl)c1 ZINC000850390156 633972950 /nfs/dbraw/zinc/97/29/50/633972950.db2.gz DQIFZTQJEUKGKL-UHFFFAOYSA-N 0 1 291.782 2.785 20 10 CFCDMN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000850409813 633981758 /nfs/dbraw/zinc/98/17/58/633981758.db2.gz HINOWZXRJOCNIT-VBROQKIQSA-N 0 1 284.407 2.850 20 10 CFCDMN Cc1cc(O)c(CN[C@@H](C)c2nccn2C)cc1C ZINC000850410468 633982020 /nfs/dbraw/zinc/98/20/20/633982020.db2.gz UYJHYAKHRZFTFV-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000850484892 634013156 /nfs/dbraw/zinc/01/31/56/634013156.db2.gz TXYNVZPLQNEWHY-JRPNMDOOSA-N 0 1 299.798 2.748 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ncnc32)c(O)c1C ZINC000850498720 634019132 /nfs/dbraw/zinc/01/91/32/634019132.db2.gz CAIWFPQDEOQDQU-VHRBIJSZSA-N 0 1 286.379 2.957 20 10 CFCDMN CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1O ZINC000850499853 634019476 /nfs/dbraw/zinc/01/94/76/634019476.db2.gz ZCPHUSUMKBATGB-KGYLQXTDSA-N 0 1 272.352 2.730 20 10 CFCDMN CC[C@H]([NH2+]C/C=C/CO)c1cc(Cl)ccc1[O-] ZINC000850508277 634023142 /nfs/dbraw/zinc/02/31/42/634023142.db2.gz LCAZRROQQJXIHU-PCAWENJQSA-N 0 1 255.745 2.635 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850578458 634059321 /nfs/dbraw/zinc/05/93/21/634059321.db2.gz KXBSLEKQCVJODF-NHCYSSNCSA-N 0 1 289.297 2.975 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850578457 634059443 /nfs/dbraw/zinc/05/94/43/634059443.db2.gz KXBSLEKQCVJODF-CKYFFXLPSA-N 0 1 289.297 2.975 20 10 CFCDMN C[C@H](NCc1cn(C)nc1Cl)c1ccc(N(C)C)cc1 ZINC000856778131 635857674 /nfs/dbraw/zinc/85/76/74/635857674.db2.gz KOJNBJUVDOPDLB-NSHDSACASA-N 0 1 292.814 2.990 20 10 CFCDMN Cc1ccc(O)c(CNCc2nccn2C(C)C)c1 ZINC000858238943 636160940 /nfs/dbraw/zinc/16/09/40/636160940.db2.gz FMZOVMHZJQNKRW-UHFFFAOYSA-N 0 1 259.353 2.768 20 10 CFCDMN CC[C@@H](NCc1cnnn1CC)c1ccc(N(C)C)cc1 ZINC000858440121 636241058 /nfs/dbraw/zinc/24/10/58/636241058.db2.gz MCFGOROCMAXLKL-MRXNPFEDSA-N 0 1 287.411 2.605 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccncc1 ZINC000048261380 650260623 /nfs/dbraw/zinc/26/06/23/650260623.db2.gz XPKQVLYDUKIFOY-UHFFFAOYSA-N 0 1 262.740 2.773 20 10 CFCDMN CC(C)COC(=O)[C@H](C)NCc1cccc(Cl)c1O ZINC000187905100 650306533 /nfs/dbraw/zinc/30/65/33/650306533.db2.gz AKGQFYLIZFGASH-JTQLQIEISA-N 0 1 285.771 2.723 20 10 CFCDMN CC1C[NH+](Cc2c([O-])cccc2Br)C1 ZINC000862351518 637327559 /nfs/dbraw/zinc/32/75/59/637327559.db2.gz PFFFREUDNLZHCO-UHFFFAOYSA-N 0 1 256.143 2.606 20 10 CFCDMN CC1CN(Cc2c(O)cccc2Br)C1 ZINC000862351518 637327562 /nfs/dbraw/zinc/32/75/62/637327562.db2.gz PFFFREUDNLZHCO-UHFFFAOYSA-N 0 1 256.143 2.606 20 10 CFCDMN CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000862388306 637351453 /nfs/dbraw/zinc/35/14/53/637351453.db2.gz ZUOJJWVHXNPFJA-LLVKDONJSA-N 0 1 271.788 2.947 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000862388306 637351458 /nfs/dbraw/zinc/35/14/58/637351458.db2.gz ZUOJJWVHXNPFJA-LLVKDONJSA-N 0 1 271.788 2.947 20 10 CFCDMN Cc1cccc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862449868 637389582 /nfs/dbraw/zinc/38/95/82/637389582.db2.gz LCPGMQVJDVCDCB-UHFFFAOYSA-N 0 1 255.317 2.922 20 10 CFCDMN COC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000862466700 637393500 /nfs/dbraw/zinc/39/35/00/637393500.db2.gz ITZHRAUUKXZIDV-NSHDSACASA-N 0 1 295.766 2.705 20 10 CFCDMN O=C(NC[C@@H]1CCN1C1CCCCC1)C1=CC(=O)CS1 ZINC000862629324 637454657 /nfs/dbraw/zinc/45/46/57/637454657.db2.gz ORSAUIQTJBNJHD-LBPRGKRZSA-N 0 1 294.420 2.591 20 10 CFCDMN Oc1cc2c(cc1CN1CCO[C@@H](CCF)C1)CCCC2 ZINC000863318619 637625346 /nfs/dbraw/zinc/62/53/46/637625346.db2.gz ROSWAFOGOWQAHV-INIZCTEOSA-N 0 1 293.382 2.831 20 10 CFCDMN Oc1ccc2ccncc2c1CN1CCO[C@@H](CCF)C1 ZINC000863317542 637625477 /nfs/dbraw/zinc/62/54/77/637625477.db2.gz NSUOWQIFYFFKAL-ZDUSSCGKSA-N 0 1 290.338 2.501 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C2(CCC2)CO1 ZINC000864050195 637843356 /nfs/dbraw/zinc/84/33/56/637843356.db2.gz YAPWOGFQQYKSSS-JTQLQIEISA-N 0 1 283.318 2.814 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C2(CCC2)CO1 ZINC000864050195 637843363 /nfs/dbraw/zinc/84/33/63/637843363.db2.gz YAPWOGFQQYKSSS-JTQLQIEISA-N 0 1 283.318 2.814 20 10 CFCDMN CCOc1cccc(CN(C)Cc2ccccc2O)n1 ZINC000120051685 637983827 /nfs/dbraw/zinc/98/38/27/637983827.db2.gz SITKZNCOGWCIGK-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN CCC[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1O ZINC000120371769 638186933 /nfs/dbraw/zinc/18/69/33/638186933.db2.gz ORYQIAXCROMION-CYBMUJFWSA-N 0 1 277.364 2.557 20 10 CFCDMN CCC[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120371769 638186946 /nfs/dbraw/zinc/18/69/46/638186946.db2.gz ORYQIAXCROMION-CYBMUJFWSA-N 0 1 277.364 2.557 20 10 CFCDMN CCC[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120371769 638186952 /nfs/dbraw/zinc/18/69/52/638186952.db2.gz ORYQIAXCROMION-CYBMUJFWSA-N 0 1 277.364 2.557 20 10 CFCDMN C[C@@H](NCc1nn(C)cc1C(F)F)c1ccccc1O ZINC000866567515 638846933 /nfs/dbraw/zinc/84/69/33/638846933.db2.gz PPRVQBYDUHKNFB-SECBINFHSA-N 0 1 281.306 2.914 20 10 CFCDMN CC(C)N1CCC([N@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876562298 642924334 /nfs/dbraw/zinc/92/43/34/642924334.db2.gz XKCSVQDGAOMDOO-UHFFFAOYSA-N 0 1 298.377 2.975 20 10 CFCDMN CC(C)N1CCC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876562298 642924337 /nfs/dbraw/zinc/92/43/37/642924337.db2.gz XKCSVQDGAOMDOO-UHFFFAOYSA-N 0 1 298.377 2.975 20 10 CFCDMN CCCN1CCC([N@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876623573 642949043 /nfs/dbraw/zinc/94/90/43/642949043.db2.gz MBSAAAPITADHHE-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN CCCN1CCC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876623573 642949045 /nfs/dbraw/zinc/94/90/45/642949045.db2.gz MBSAAAPITADHHE-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764879 642999338 /nfs/dbraw/zinc/99/93/38/642999338.db2.gz OSGCDYBLSBVHPO-ZYHUDNBSSA-N 0 1 284.350 2.585 20 10 CFCDMN Cc1ccc(CN[C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000877126857 643165016 /nfs/dbraw/zinc/16/50/16/643165016.db2.gz UQBDXELXRKEKRT-NSHDSACASA-N 0 1 274.368 2.793 20 10 CFCDMN CCc1cc(NCc2ccc(F)c(F)c2O)n(C)n1 ZINC000877159616 643182015 /nfs/dbraw/zinc/18/20/15/643182015.db2.gz ZXUFARWQGKFHJE-UHFFFAOYSA-N 0 1 267.279 2.578 20 10 CFCDMN COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877325986 643240112 /nfs/dbraw/zinc/24/01/12/643240112.db2.gz PIXHLCYEBOBUCI-UHFFFAOYSA-N 0 1 294.301 2.706 20 10 CFCDMN [O-]c1c(C[NH2+]C2CC(N3CCCCC3)C2)ccc(F)c1F ZINC000877492296 643306081 /nfs/dbraw/zinc/30/60/81/643306081.db2.gz UKAJLWJONOFFLI-UHFFFAOYSA-N 0 1 296.361 2.777 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CO)CC(C)(C)C ZINC000877569940 643367810 /nfs/dbraw/zinc/36/78/10/643367810.db2.gz APMMCJOTOWOWBE-NSHDSACASA-N 0 1 287.350 2.899 20 10 CFCDMN COc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000877612391 643399170 /nfs/dbraw/zinc/39/91/70/643399170.db2.gz IMRBFPUIDLOZQX-UHFFFAOYSA-N 0 1 284.768 2.801 20 10 CFCDMN Cc1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c(O)c1 ZINC000877626472 643412004 /nfs/dbraw/zinc/41/20/04/643412004.db2.gz WCCKCVLDUUDCHQ-IYBDPMFKSA-N 0 1 261.365 2.559 20 10 CFCDMN Cc1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c(O)c1 ZINC000877643509 643428404 /nfs/dbraw/zinc/42/84/04/643428404.db2.gz JNXVHPJTFQWVFT-NHYWBVRUSA-N 0 1 285.334 2.945 20 10 CFCDMN COc1ccccc1[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000877754703 643534618 /nfs/dbraw/zinc/53/46/18/643534618.db2.gz PROPDADEGYTDJT-SFHVURJKSA-N 0 1 299.370 2.974 20 10 CFCDMN C[C@@H](NCc1cn(C2CCC2)nn1)c1ccccc1O ZINC000877755744 643534891 /nfs/dbraw/zinc/53/48/91/643534891.db2.gz LVDZGVBTSXVXBC-LLVKDONJSA-N 0 1 272.352 2.560 20 10 CFCDMN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000877778047 643552820 /nfs/dbraw/zinc/55/28/20/643552820.db2.gz IUHXECBJYOHSMA-PWSUYJOCSA-N 0 1 271.788 2.993 20 10 CFCDMN O=C1N[C@@H](c2ccc(F)c(F)c2O)Nc2ccccc21 ZINC000877843390 643606237 /nfs/dbraw/zinc/60/62/37/643606237.db2.gz LJLPYKOCYNJYHV-ZDUSSCGKSA-N 0 1 276.242 2.525 20 10 CFCDMN CCN(C#N)CCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000877977376 643676213 /nfs/dbraw/zinc/67/62/13/643676213.db2.gz OSPQALATLOKRNP-UHFFFAOYSA-N 0 1 286.423 2.520 20 10 CFCDMN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000879323623 644230249 /nfs/dbraw/zinc/23/02/49/644230249.db2.gz SHASOSZMZLDKDY-QMTHXVAHSA-N 0 1 295.354 2.733 20 10 CFCDMN CO[C@@H]1CC[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000879323623 644230251 /nfs/dbraw/zinc/23/02/51/644230251.db2.gz SHASOSZMZLDKDY-QMTHXVAHSA-N 0 1 295.354 2.733 20 10 CFCDMN Oc1ccccc1CNCc1ccn(C2CCCC2)n1 ZINC000129025473 644980573 /nfs/dbraw/zinc/98/05/73/644980573.db2.gz BQVDPTBOFGGZGF-UHFFFAOYSA-N 0 1 271.364 2.994 20 10 CFCDMN C[C@@H](N[C@@H](C)C(F)F)c1cc(F)cc(F)c1O ZINC000883399700 645795398 /nfs/dbraw/zinc/79/53/98/645795398.db2.gz TYXPLWRDNFWITK-RITPCOANSA-N 0 1 251.223 2.975 20 10 CFCDMN [O-]c1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133951943 646257889 /nfs/dbraw/zinc/25/78/89/646257889.db2.gz JUFWVXWLMROSAX-GFCCVEGCSA-N 0 1 280.799 2.716 20 10 CFCDMN COCCOCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134232017 646308985 /nfs/dbraw/zinc/30/89/85/646308985.db2.gz BNOWVCLSWOYVHH-UHFFFAOYSA-N 0 1 287.787 2.578 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 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COc1cc(C)c(CN2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001236815865 778950954 /nfs/dbraw/zinc/95/09/54/778950954.db2.gz PAHVXTLKIRRWJQ-HNNXBMFYSA-N 0 1 299.374 2.836 20 10 CFCDMN OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826181 778954911 /nfs/dbraw/zinc/95/49/11/778954911.db2.gz HUTQTKXXGHFJRH-BLLLJJGKSA-N 0 1 289.350 2.698 20 10 CFCDMN CCCO[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC001237041122 778995905 /nfs/dbraw/zinc/99/59/05/778995905.db2.gz FOENCXAHDJKQQY-HNNXBMFYSA-N 0 1 279.380 2.792 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCc3cnccc3C2)c(O)c1 ZINC001237040440 778996378 /nfs/dbraw/zinc/99/63/78/778996378.db2.gz DDHNFVLHEQIVCJ-UHFFFAOYSA-N 0 1 284.359 2.744 20 10 CFCDMN CCOc1ccc(CN2CCc3cnccc3C2)c(O)c1 ZINC001237040440 778996381 /nfs/dbraw/zinc/99/63/81/778996381.db2.gz DDHNFVLHEQIVCJ-UHFFFAOYSA-N 0 1 284.359 2.744 20 10 CFCDMN CCCO[C@@H]1CC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC001237041124 778996456 /nfs/dbraw/zinc/99/64/56/778996456.db2.gz FOENCXAHDJKQQY-OAHLLOKOSA-N 0 1 279.380 2.792 20 10 CFCDMN CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001237048456 778998475 /nfs/dbraw/zinc/99/84/75/778998475.db2.gz RXAWNWWNXYUBBX-ZDUSSCGKSA-N 0 1 263.381 2.720 20 10 CFCDMN CCOc1ccc(CN2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001237050107 779000201 /nfs/dbraw/zinc/00/02/01/779000201.db2.gz PGSCUFVFMLLHRM-LBPRGKRZSA-N 0 1 277.364 2.592 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CC[N@H+](C)C1 ZINC001237083090 779006398 /nfs/dbraw/zinc/00/63/98/779006398.db2.gz YRVAGLMONXDACB-VIFPVBQESA-N 0 1 289.206 2.835 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CC[N@@H+](C)C1 ZINC001237083090 779006408 /nfs/dbraw/zinc/00/64/08/779006408.db2.gz YRVAGLMONXDACB-VIFPVBQESA-N 0 1 289.206 2.835 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1O ZINC001237078695 779007810 /nfs/dbraw/zinc/00/78/10/779007810.db2.gz WJZKXPWEZVZZHA-PRHODGIISA-N 0 1 290.190 2.902 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001237086720 779009006 /nfs/dbraw/zinc/00/90/06/779009006.db2.gz NWSWCUXVERTFFE-VIFPVBQESA-N 0 1 287.190 2.589 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001237086720 779009011 /nfs/dbraw/zinc/00/90/11/779009011.db2.gz NWSWCUXVERTFFE-VIFPVBQESA-N 0 1 287.190 2.589 20 10 CFCDMN CCC1(O)CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237126439 779021615 /nfs/dbraw/zinc/02/16/15/779021615.db2.gz LCEVLYXIJAUTLP-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN CCN1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237137859 779023417 /nfs/dbraw/zinc/02/34/17/779023417.db2.gz PJCBSRIMZPIVIP-UHFFFAOYSA-N 0 1 288.313 2.549 20 10 CFCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccn(C)n1 ZINC000213100311 779094954 /nfs/dbraw/zinc/09/49/54/779094954.db2.gz RELLMXCIZVEUSB-DGCLKSJQSA-N 0 1 271.364 2.772 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001237616912 779144575 /nfs/dbraw/zinc/14/45/75/779144575.db2.gz JQDVTFZZQZJBQG-AWEZNQCLSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237617529 779144817 /nfs/dbraw/zinc/14/48/17/779144817.db2.gz SEGJPTXBCJFNMJ-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624112 779147619 /nfs/dbraw/zinc/14/76/19/779147619.db2.gz YRBATHNQVOCXTA-ZDUSSCGKSA-N 0 1 298.789 2.853 20 10 CFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686852 779160922 /nfs/dbraw/zinc/16/09/22/779160922.db2.gz QJGLBYXEVTVYFW-LLVKDONJSA-N 0 1 297.782 2.739 20 10 CFCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798222 779179813 /nfs/dbraw/zinc/17/98/13/779179813.db2.gz BDSGELXAOYRATE-JTQLQIEISA-N 0 1 285.746 2.986 20 10 CFCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798223 779180256 /nfs/dbraw/zinc/18/02/56/779180256.db2.gz BDSGELXAOYRATE-SNVBAGLBSA-N 0 1 285.746 2.986 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237802098 779181296 /nfs/dbraw/zinc/18/12/96/779181296.db2.gz XXKGUQIXZQJDKN-JWYUURKGSA-N 0 1 273.710 2.975 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237802098 779181298 /nfs/dbraw/zinc/18/12/98/779181298.db2.gz XXKGUQIXZQJDKN-JWYUURKGSA-N 0 1 273.710 2.975 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCOCC1 ZINC001237800748 779181413 /nfs/dbraw/zinc/18/14/13/779181413.db2.gz AWUZMBOIYALINQ-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001237800383 779181626 /nfs/dbraw/zinc/18/16/26/779181626.db2.gz YGPFYGHWMJELPE-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN C[N@@H+](Cc1ccncn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237803908 779182945 /nfs/dbraw/zinc/18/29/45/779182945.db2.gz VVWQQKVNFRMNED-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN COC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804769 779183311 /nfs/dbraw/zinc/18/33/11/779183311.db2.gz GEQKEQLPIKRYST-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808667 779184723 /nfs/dbraw/zinc/18/47/23/779184723.db2.gz VSWKOCLJBUSXDN-KCJUWKMLSA-N 0 1 273.735 2.530 20 10 CFCDMN CC[N@@H+](CCOC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946355 779215048 /nfs/dbraw/zinc/21/50/48/779215048.db2.gz JTEQSYSHDHRDQA-UHFFFAOYSA-N 0 1 261.724 2.653 20 10 CFCDMN CCc1cc(CN(CC)Cc2ccccc2O)on1 ZINC001203226325 779297969 /nfs/dbraw/zinc/29/79/69/779297969.db2.gz KFKXAQQKEDGAND-UHFFFAOYSA-N 0 1 260.337 2.965 20 10 CFCDMN CN(Cc1cccc(C(F)(F)F)c1[O-])C[C@@H]1CCC[NH2+]1 ZINC001236122742 779479039 /nfs/dbraw/zinc/47/90/39/779479039.db2.gz ZPYXVDVUEJZZHI-NSHDSACASA-N 0 1 288.313 2.595 20 10 CFCDMN C[N@H+](CCO)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236258670 779515061 /nfs/dbraw/zinc/51/50/61/779515061.db2.gz GHZQORYHNVKOMW-UHFFFAOYSA-N 0 1 271.788 2.767 20 10 CFCDMN C[N@@H+](CCO)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236258670 779515067 /nfs/dbraw/zinc/51/50/67/779515067.db2.gz GHZQORYHNVKOMW-UHFFFAOYSA-N 0 1 271.788 2.767 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC001236794159 779638907 /nfs/dbraw/zinc/63/89/07/779638907.db2.gz QGBILEZTPCQUBJ-VIFPVBQESA-N 0 1 276.163 2.656 20 10 CFCDMN C/C=C(\NC=[NH2+])NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527915 779755260 /nfs/dbraw/zinc/75/52/60/779755260.db2.gz OYMGKSMAWQJJKE-OIXVIMQBSA-N 0 1 290.754 2.741 20 10 CFCDMN CC[C@H](NCc1nnc(C)n1C)c1cc(Cl)ccc1O ZINC001116647593 780207570 /nfs/dbraw/zinc/20/75/70/780207570.db2.gz DRVVJJLBBLLECT-LBPRGKRZSA-N 0 1 294.786 2.723 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000383661506 780306260 /nfs/dbraw/zinc/30/62/60/780306260.db2.gz LTPMDBFLPNQNOW-GFCCVEGCSA-N 0 1 255.745 2.704 20 10 CFCDMN CO[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@@H]1F ZINC001143103376 780384773 /nfs/dbraw/zinc/38/47/73/780384773.db2.gz BGGGXTYVZXLYSL-KBPBESRZSA-N 0 1 281.371 2.858 20 10 CFCDMN CC[C@H](COC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701014487 780748553 /nfs/dbraw/zinc/74/85/53/780748553.db2.gz ISSLRFXFLQUCNF-LLVKDONJSA-N 0 1 288.185 2.669 20 10 CFCDMN Cc1c(NCc2cc(Cl)cc(Cl)c2O)nnn1C ZINC000701740330 780830973 /nfs/dbraw/zinc/83/09/73/780830973.db2.gz UJALWYOXSCNGFM-UHFFFAOYSA-N 0 1 287.150 2.748 20 10 CFCDMN [O-]c1cccc(F)c1CN1CCC([NH+]2CCCC2)CC1 ZINC001137831819 780866273 /nfs/dbraw/zinc/86/62/73/780866273.db2.gz OTZMWLGWEHXCAR-UHFFFAOYSA-N 0 1 278.371 2.592 20 10 CFCDMN C[C@H](NCc1ccc(F)c(F)c1O)C(F)(F)F ZINC000703395875 781014266 /nfs/dbraw/zinc/01/42/66/781014266.db2.gz UUONZVLWTHOXRK-YFKPBYRVSA-N 0 1 255.186 2.711 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703502451 781016948 /nfs/dbraw/zinc/01/69/48/781016948.db2.gz NRCJMPFMDBBJHB-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001137837895 781141100 /nfs/dbraw/zinc/14/11/00/781141100.db2.gz YHWNPJXEKBJTED-CYBMUJFWSA-N 0 1 272.323 2.916 20 10 CFCDMN CCOC(=O)c1cc2c(cc(C)nc2-c2ccnnc2)n1C ZINC001242047065 781247257 /nfs/dbraw/zinc/24/72/57/781247257.db2.gz SKVPUKQTNJOGLB-UHFFFAOYSA-N 0 1 296.330 2.515 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCOC1 ZINC000708414807 781273306 /nfs/dbraw/zinc/27/33/06/781273306.db2.gz SRTQOMPGPJHQAB-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000708414361 781273822 /nfs/dbraw/zinc/27/38/22/781273822.db2.gz RIOFNFPNZGTFPV-JOYOIKCWSA-N 0 1 271.307 2.670 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000708412122 781274068 /nfs/dbraw/zinc/27/40/68/781274068.db2.gz GDZKTPAHBHRFMV-NSHDSACASA-N 0 1 293.260 2.526 20 10 CFCDMN CCC(F)(F)CNCc1cc(F)cc(F)c1O ZINC000708515656 781290825 /nfs/dbraw/zinc/29/08/25/781290825.db2.gz QPAJHOICJPFJOR-UHFFFAOYSA-N 0 1 251.223 2.805 20 10 CFCDMN Cc1nnc([C@@H](C)NCc2cc(F)cc(F)c2O)s1 ZINC000708535669 781293058 /nfs/dbraw/zinc/29/30/58/781293058.db2.gz OXOWJXFHJMDJFC-ZCFIWIBFSA-N 0 1 285.319 2.681 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccns1 ZINC000709931102 781322276 /nfs/dbraw/zinc/32/22/76/781322276.db2.gz CEISRYHJKBVQNH-UHFFFAOYSA-N 0 1 268.769 2.834 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711492940 781445605 /nfs/dbraw/zinc/44/56/05/781445605.db2.gz VPHNEYAYGCJNHW-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000711492940 781445609 /nfs/dbraw/zinc/44/56/09/781445609.db2.gz VPHNEYAYGCJNHW-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN C[C@@H](CC(C)(C)O)[NH2+]Cc1c([O-])cccc1Cl ZINC000295030226 199310232 /nfs/dbraw/zinc/31/02/32/199310232.db2.gz LOFKEHVIVIXQMC-VIFPVBQESA-N 0 1 257.761 2.685 20 10 CFCDMN C[C@H](CC(C)(C)O)[NH2+]Cc1c([O-])cccc1Cl ZINC000295030224 199310242 /nfs/dbraw/zinc/31/02/42/199310242.db2.gz LOFKEHVIVIXQMC-SECBINFHSA-N 0 1 257.761 2.685 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000092470899 347627982 /nfs/dbraw/zinc/62/79/82/347627982.db2.gz DSNAVUOCTMDEEH-SNVBAGLBSA-N 0 1 276.163 2.656 20 10 CFCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744227 296196244 /nfs/dbraw/zinc/19/62/44/296196244.db2.gz AOQDIKXUQUNUKF-ZYHUDNBSSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@@H](F)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000378747093 781961955 /nfs/dbraw/zinc/96/19/55/781961955.db2.gz MIDZPWBVJDHGOB-MRVPVSSYSA-N 0 1 276.149 2.992 20 10 CFCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000093457997 375243094 /nfs/dbraw/zinc/24/30/94/375243094.db2.gz SVPLQGGUORLECR-GOSISDBHSA-N 0 1 299.370 2.980 20 10 CFCDMN Cc1ccc(O)c(CN2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000093457996 375243929 /nfs/dbraw/zinc/24/39/29/375243929.db2.gz SVPLQGGUORLECR-SFHVURJKSA-N 0 1 299.370 2.980 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820271 375317144 /nfs/dbraw/zinc/31/71/44/375317144.db2.gz WMCONLAELMOCLB-AWEZNQCLSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820271 375317145 /nfs/dbraw/zinc/31/71/45/375317145.db2.gz WMCONLAELMOCLB-AWEZNQCLSA-N 0 1 267.756 2.658 20 10 CFCDMN CC(C)C[C@@H](C)N(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235007 375833572 /nfs/dbraw/zinc/83/35/72/375833572.db2.gz INNNWVPTWNBJJS-CQSZACIVSA-N 0 1 292.423 2.717 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017192 375878074 /nfs/dbraw/zinc/87/80/74/375878074.db2.gz FUTNSQFPRSRGDW-ZIAGYGMSSA-N 0 1 280.799 2.762 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017192 375878079 /nfs/dbraw/zinc/87/80/79/375878079.db2.gz FUTNSQFPRSRGDW-ZIAGYGMSSA-N 0 1 280.799 2.762 20 10 CFCDMN COC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124747152 377084949 /nfs/dbraw/zinc/08/49/49/377084949.db2.gz CKVWSNRWHXJGMX-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000124747152 377084963 /nfs/dbraw/zinc/08/49/63/377084963.db2.gz CKVWSNRWHXJGMX-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134913136 378062640 /nfs/dbraw/zinc/06/26/40/378062640.db2.gz CIAJAGLDEBMYAI-VIFPVBQESA-N 0 1 288.185 2.842 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000156096818 378635177 /nfs/dbraw/zinc/63/51/77/378635177.db2.gz FWHQHELZPBGOLT-SNVBAGLBSA-N 0 1 276.163 2.920 20 10 CFCDMN COC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177285113 380326157 /nfs/dbraw/zinc/32/61/57/380326157.db2.gz KTOMIOZLBDBYSD-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177285113 380326162 /nfs/dbraw/zinc/32/61/62/380326162.db2.gz KTOMIOZLBDBYSD-GFCCVEGCSA-N 0 1 295.354 2.592 20 10 CFCDMN Cc1cccc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000180284591 380643992 /nfs/dbraw/zinc/64/39/92/380643992.db2.gz RGUHCWIMMSJDCP-KRWDZBQOSA-N 0 1 299.370 2.980 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000180668939 380688347 /nfs/dbraw/zinc/68/83/47/380688347.db2.gz QDLUQZZOBXVUNI-HNNXBMFYSA-N 0 1 281.421 2.974 20 10 CFCDMN C[C@@H]1[C@H](C)OCCN1Cc1cc(Cl)c(F)cc1O ZINC000295370583 380814353 /nfs/dbraw/zinc/81/43/53/380814353.db2.gz OJRRBMTXKSZBBC-BDAKNGLRSA-N 0 1 273.735 2.794 20 10 CFCDMN COCCCOCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000181524517 380817998 /nfs/dbraw/zinc/81/79/98/380817998.db2.gz WXKJPGZNHYDQRU-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(F)ccc1[O-] ZINC000287484730 380841750 /nfs/dbraw/zinc/84/17/50/380841750.db2.gz MZWKDVJFCMWMAG-GRYCIOLGSA-N 0 1 267.344 2.855 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2nccn2C(F)F)c1 ZINC000182431926 381089605 /nfs/dbraw/zinc/08/96/05/381089605.db2.gz SJYVNSSUULIMRY-VIFPVBQESA-N 0 1 297.305 2.843 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)n[nH]1 ZINC000183621586 381294943 /nfs/dbraw/zinc/29/49/43/381294943.db2.gz ANEPZKSBWRDJBH-PWSUYJOCSA-N 0 1 259.353 2.706 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000184700996 381462670 /nfs/dbraw/zinc/46/26/70/381462670.db2.gz BBYCEUFRCXIQHF-HNNXBMFYSA-N 0 1 297.782 2.667 20 10 CFCDMN C[C@H]([NH2+]CCCn1cccn1)c1cc(Cl)ccc1[O-] ZINC000184956230 381500713 /nfs/dbraw/zinc/50/07/13/381500713.db2.gz POGUXBZGUPCTPB-NSHDSACASA-N 0 1 279.771 2.983 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185190747 381558540 /nfs/dbraw/zinc/55/85/40/381558540.db2.gz MHWDJQQXROUHCW-YGRLFVJLSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185386658 381619186 /nfs/dbraw/zinc/61/91/86/381619186.db2.gz WGGYTOWSABDYKG-ONGXEEELSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186075808 381818647 /nfs/dbraw/zinc/81/86/47/381818647.db2.gz YFAZFTKMDGJKJX-QWRGUYRKSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@H]([NH2+]CC1(C)OCCO1)c1ccc2ccccc2c1[O-] ZINC000186211805 381854355 /nfs/dbraw/zinc/85/43/55/381854355.db2.gz CIXQZBGNRSPKCE-LBPRGKRZSA-N 0 1 287.359 2.959 20 10 CFCDMN Cc1c([C@H]2CCC[N@H+]2Cc2ccccc2O)cnn1C ZINC000373153564 381938220 /nfs/dbraw/zinc/93/82/20/381938220.db2.gz MKJQJIVALMRUOG-OAHLLOKOSA-N 0 1 271.364 2.771 20 10 CFCDMN Cc1cc(CN2CCO[C@H]3CCC[C@H]32)ccc1N(C)C ZINC000293577497 382183306 /nfs/dbraw/zinc/18/33/06/382183306.db2.gz SYSARNINLBBBOY-SJORKVTESA-N 0 1 274.408 2.814 20 10 CFCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187827228 382277501 /nfs/dbraw/zinc/27/75/01/382277501.db2.gz VHCCUPYASFHNIP-XOBRGWDASA-N 0 1 296.480 2.732 20 10 CFCDMN C[N@H+]1CC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000293791174 382281415 /nfs/dbraw/zinc/28/14/15/382281415.db2.gz CMKWVTMWOUGUGR-OAHLLOKOSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(F)ccc1[O-] ZINC000188001980 382321000 /nfs/dbraw/zinc/32/10/00/382321000.db2.gz MRRWYINEFUTWPA-GYSYKLTISA-N 0 1 267.344 2.733 20 10 CFCDMN CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000293929866 382341048 /nfs/dbraw/zinc/34/10/48/382341048.db2.gz HFWUPELNBSFMSO-CQSZACIVSA-N 0 1 267.344 2.778 20 10 CFCDMN CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000188113278 382346300 /nfs/dbraw/zinc/34/63/00/382346300.db2.gz MFSSOTARSKZWLA-IUCAKERBSA-N 0 1 288.185 2.840 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1c1ncon1 ZINC000365264467 382367967 /nfs/dbraw/zinc/36/79/67/382367967.db2.gz UYLOZHMPYFLUNM-SNVBAGLBSA-N 0 1 297.717 2.905 20 10 CFCDMN COC[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294212624 382462057 /nfs/dbraw/zinc/46/20/57/382462057.db2.gz MQGGSYYYGQZABR-AWEZNQCLSA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294212624 382462060 /nfs/dbraw/zinc/46/20/60/382462060.db2.gz MQGGSYYYGQZABR-AWEZNQCLSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1O ZINC000189663292 382633639 /nfs/dbraw/zinc/63/36/39/382633639.db2.gz GZVKKXLJOZMNNA-UHFFFAOYSA-N 0 1 295.276 2.741 20 10 CFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)ccc4[O-])[C@H]1[C@H]3C2 ZINC000367687509 382582857 /nfs/dbraw/zinc/58/28/57/382582857.db2.gz NNZVIZLEWPXBBT-VSGLDEAGSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)ccc4[O-])[C@H]1[C@H]3C2 ZINC000367687509 382582862 /nfs/dbraw/zinc/58/28/62/382582862.db2.gz NNZVIZLEWPXBBT-VSGLDEAGSA-N 0 1 293.794 2.901 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000528757179 383625361 /nfs/dbraw/zinc/62/53/61/383625361.db2.gz MFQKLZIWMKCHOJ-APKCBFJXSA-N 0 1 295.354 2.635 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000267308549 384353735 /nfs/dbraw/zinc/35/37/35/384353735.db2.gz WPMQBSDFHYAUCO-CYBMUJFWSA-N 0 1 291.778 2.911 20 10 CFCDMN CNC(=O)CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271154237 385353547 /nfs/dbraw/zinc/35/35/47/385353547.db2.gz MOEFVPBLSXXDCJ-UHFFFAOYSA-N 0 1 298.386 2.627 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282665265 385365452 /nfs/dbraw/zinc/36/54/52/385365452.db2.gz HCQAIBFBHYLMPK-OAHLLOKOSA-N 0 1 279.355 2.970 20 10 CFCDMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272331311 385511714 /nfs/dbraw/zinc/51/17/14/385511714.db2.gz WNBPFGUNIPOXDJ-GFCCVEGCSA-N 0 1 295.354 2.695 20 10 CFCDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492136 385551272 /nfs/dbraw/zinc/55/12/72/385551272.db2.gz DXRVIPGVYURWLV-IUCAKERBSA-N 0 1 290.190 2.902 20 10 CFCDMN CC[C@H](COC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000120217441 393931391 /nfs/dbraw/zinc/93/13/91/393931391.db2.gz GGLFEVFWXJBMIC-LLVKDONJSA-N 0 1 288.185 2.669 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744222 394022488 /nfs/dbraw/zinc/02/24/88/394022488.db2.gz AOQDIKXUQUNUKF-CMPLNLGQSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744225 394022519 /nfs/dbraw/zinc/02/25/19/394022519.db2.gz AOQDIKXUQUNUKF-PWSUYJOCSA-N 0 1 269.772 2.781 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N2CCOCC23CCC3)c1 ZINC000367373640 394254356 /nfs/dbraw/zinc/25/43/56/394254356.db2.gz XQGDVNZXJMAZDE-GFCCVEGCSA-N 0 1 277.364 2.717 20 10 CFCDMN COc1cc(Cl)cc(CN2CCOC[C@H](C)C2)c1O ZINC000360334049 286223204 /nfs/dbraw/zinc/22/32/04/286223204.db2.gz JUSBWZAXWXWKHS-SNVBAGLBSA-N 0 1 285.771 2.523 20 10 CFCDMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353597882 228128017 /nfs/dbraw/zinc/12/80/17/228128017.db2.gz UYXGLXFJNHZSTN-LBPRGKRZSA-N 0 1 296.374 2.833 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC2)c1O ZINC000037322961 260159783 /nfs/dbraw/zinc/15/97/83/260159783.db2.gz YNZUPYHOCNDLBO-UHFFFAOYSA-N 0 1 253.729 2.842 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC000037322961 260159784 /nfs/dbraw/zinc/15/97/84/260159784.db2.gz YNZUPYHOCNDLBO-UHFFFAOYSA-N 0 1 253.729 2.842 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369482256 267245710 /nfs/dbraw/zinc/24/57/10/267245710.db2.gz ALVOYZHHOJTGAO-GXFFZTMASA-N 0 1 267.756 2.656 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000280658903 276380131 /nfs/dbraw/zinc/38/01/31/276380131.db2.gz STCDRXZZARWOBQ-LRDDRELGSA-N 0 1 291.391 2.790 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134904606 276526799 /nfs/dbraw/zinc/52/67/99/276526799.db2.gz UNGABEZKJLCEPH-SCZZXKLOSA-N 0 1 288.185 2.576 20 10 CFCDMN Cc1c2ccccc2n(C)c1CNCc1cnc(C)nc1 ZINC000355136217 280269700 /nfs/dbraw/zinc/26/97/00/280269700.db2.gz RBZLVNPVDOWMBR-UHFFFAOYSA-N 0 1 280.375 2.875 20 10 CFCDMN COc1ccc(O)c(CN2CCOC[C@H]2CC(C)C)c1 ZINC000180202280 295165943 /nfs/dbraw/zinc/16/59/43/295165943.db2.gz XZUGZUDGBKOIKE-CQSZACIVSA-N 0 1 279.380 2.648 20 10 CFCDMN C[C@@H]1CSCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180246614 297182382 /nfs/dbraw/zinc/18/23/82/297182382.db2.gz HXAXGXVVXTZPEK-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCSC1 ZINC000230704925 526342743 /nfs/dbraw/zinc/34/27/43/526342743.db2.gz DGUHRRAZUVHRPG-JTQLQIEISA-N 0 1 288.210 2.750 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000050133422 518283093 /nfs/dbraw/zinc/28/30/93/518283093.db2.gz ZFKDIFOQMXQOOU-GFCCVEGCSA-N 0 1 283.368 2.671 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000050133422 518283095 /nfs/dbraw/zinc/28/30/95/518283095.db2.gz ZFKDIFOQMXQOOU-GFCCVEGCSA-N 0 1 283.368 2.671 20 10 CFCDMN CC(C)NC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000036781593 519709091 /nfs/dbraw/zinc/70/90/91/519709091.db2.gz AYPNKMCPTWHFRB-GFCCVEGCSA-N 0 1 286.375 2.721 20 10 CFCDMN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000230664268 519793130 /nfs/dbraw/zinc/79/31/30/519793130.db2.gz IEWIADJPPPQZNV-ZWNOBZJWSA-N 0 1 255.333 2.589 20 10 CFCDMN CCC[C@H](CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000231388634 521095104 /nfs/dbraw/zinc/09/51/04/521095104.db2.gz ZSIKSEBROLQJKU-LLVKDONJSA-N 0 1 271.788 2.934 20 10 CFCDMN COC(=O)c1cc(CN(C)Cc2ccccc2O)oc1C ZINC000264704108 521835609 /nfs/dbraw/zinc/83/56/09/521835609.db2.gz KKJZSEVNRDOMSB-UHFFFAOYSA-N 0 1 289.331 2.712 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278251123 521870057 /nfs/dbraw/zinc/87/00/57/521870057.db2.gz PCHWCTJMMSEUCP-JTQLQIEISA-N 0 1 280.324 2.541 20 10 CFCDMN CN(C)c1ccc(C2=CCN(Cc3ccno3)C2)cc1 ZINC000364996346 522155831 /nfs/dbraw/zinc/15/58/31/522155831.db2.gz SCBDRJCWJFNTGY-UHFFFAOYSA-N 0 1 269.348 2.640 20 10 CFCDMN COC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293540450 522483731 /nfs/dbraw/zinc/48/37/31/522483731.db2.gz CVKBVEZPBDRFPM-JTQLQIEISA-N 0 1 276.163 2.920 20 10 CFCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295290 523427146 /nfs/dbraw/zinc/42/71/46/523427146.db2.gz CCSQPAWMYRSVGZ-JQWIXIFHSA-N 0 1 294.351 2.929 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293828685 523878483 /nfs/dbraw/zinc/87/84/83/523878483.db2.gz GJSWGJVDMBKWPV-MRVPVSSYSA-N 0 1 261.724 2.651 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000191732139 524985655 /nfs/dbraw/zinc/98/56/55/524985655.db2.gz JKPWTIVCJWKEEK-SCZZXKLOSA-N 0 1 290.190 2.759 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000279696933 525881420 /nfs/dbraw/zinc/88/14/20/525881420.db2.gz QPAVIYAJBITFFE-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000377120586 527329962 /nfs/dbraw/zinc/32/99/62/527329962.db2.gz PGNSCQWPWBZZOA-ZDUSSCGKSA-N 0 1 291.782 2.946 20 10 CFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c(O)ccc2ccncc21 ZINC000736467808 574056851 /nfs/dbraw/zinc/05/68/51/574056851.db2.gz GWEYUSLFSZSLEG-UHFFFAOYSA-N 0 1 288.347 2.626 20 10 CFCDMN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756569823 574122819 /nfs/dbraw/zinc/12/28/19/574122819.db2.gz RWNYXHFJHRVXOS-YMTOWFKASA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756569815 574122826 /nfs/dbraw/zinc/12/28/26/574122826.db2.gz RWNYXHFJHRVXOS-XPTSAGLGSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738276805 574162567 /nfs/dbraw/zinc/16/25/67/574162567.db2.gz MAAMMJJVCBESGR-NSHDSACASA-N 0 1 274.389 2.878 20 10 CFCDMN C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738276805 574162571 /nfs/dbraw/zinc/16/25/71/574162571.db2.gz MAAMMJJVCBESGR-NSHDSACASA-N 0 1 274.389 2.878 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756549449 574246361 /nfs/dbraw/zinc/24/63/61/574246361.db2.gz FSYVYFYTPLKKLE-MNOVXSKESA-N 0 1 284.350 2.663 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000756561410 574247845 /nfs/dbraw/zinc/24/78/45/574247845.db2.gz CCOBLRJNJAKAOC-NEPJUHHUSA-N 0 1 299.798 2.749 20 10 CFCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756625699 574253381 /nfs/dbraw/zinc/25/33/81/574253381.db2.gz KWEYSFHBTXXZQT-NQBHXWOUSA-N 0 1 269.360 2.979 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000756820521 574265210 /nfs/dbraw/zinc/26/52/10/574265210.db2.gz XOQIEXHQQJWPLY-IUCAKERBSA-N 0 1 257.761 2.856 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@H](C)OC[C@H]2C)cc1 ZINC000741753383 574301210 /nfs/dbraw/zinc/30/12/10/574301210.db2.gz WVWCMRIFRKWANV-KGLIPLIRSA-N 0 1 262.397 2.752 20 10 CFCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCC2)cc1 ZINC000752291675 574390008 /nfs/dbraw/zinc/39/00/08/574390008.db2.gz DATFOOJUJHZMDO-UHFFFAOYSA-N 0 1 297.402 2.530 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H](C)O)c(Cl)c1 ZINC000840940941 619085910 /nfs/dbraw/zinc/08/59/10/619085910.db2.gz OHVRZRPNHLOJCL-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1C ZINC000830121287 603611907 /nfs/dbraw/zinc/61/19/07/603611907.db2.gz BENNQGCFAJRGLC-CQSZACIVSA-N 0 1 292.379 2.583 20 10 CFCDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000834162016 605586067 /nfs/dbraw/zinc/58/60/67/605586067.db2.gz MRLSQDPTDPCMDO-AGUYFDCRSA-N 0 1 290.363 2.545 20 10 CFCDMN COc1cc(CN2CCOC[C@@H]2CC(C)C)c(O)cc1C ZINC000160198656 617609504 /nfs/dbraw/zinc/60/95/04/617609504.db2.gz YXEZOFDPUXLYKF-HNNXBMFYSA-N 0 1 293.407 2.956 20 10 CFCDMN O=C(CC[C@H]1CCCO1)NCc1cccc(Cl)c1[O-] ZINC000890757751 617834717 /nfs/dbraw/zinc/83/47/17/617834717.db2.gz KMNBCUMGYBKWIW-LLVKDONJSA-N 0 1 283.755 2.621 20 10 CFCDMN CN(C/C=C\Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000255440773 617919946 /nfs/dbraw/zinc/91/99/46/617919946.db2.gz NVUOWODJXUGWGM-UQCOIBPSSA-N 0 1 280.799 2.708 20 10 CFCDMN Cc1cccc(CNCc2ccc(N(C)C)cc2)n1 ZINC000048329587 618043298 /nfs/dbraw/zinc/04/32/98/618043298.db2.gz IKBGGDVPRVUXLW-UHFFFAOYSA-N 0 1 255.365 2.746 20 10 CFCDMN Cc1cccc(CNCc2ccc3c(c2)CCO3)n1 ZINC000048400349 618044747 /nfs/dbraw/zinc/04/47/47/618044747.db2.gz AAWHHWYMRDUQKC-UHFFFAOYSA-N 0 1 254.333 2.615 20 10 CFCDMN CC(C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804857625 618068958 /nfs/dbraw/zinc/06/89/58/618068958.db2.gz HETJACRAEBKBTC-UHFFFAOYSA-N 0 1 277.151 2.907 20 10 CFCDMN CCCC[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050144961 618080684 /nfs/dbraw/zinc/08/06/84/618080684.db2.gz SJNZJYOBTGIUCY-UHFFFAOYSA-N 0 1 299.798 2.843 20 10 CFCDMN CCCC[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050144961 618080691 /nfs/dbraw/zinc/08/06/91/618080691.db2.gz SJNZJYOBTGIUCY-UHFFFAOYSA-N 0 1 299.798 2.843 20 10 CFCDMN Oc1cc2c(cc1CNCc1ccc(F)cc1F)OCO2 ZINC000051017032 618158301 /nfs/dbraw/zinc/15/83/01/618158301.db2.gz DSBVCWRDQCHPMN-UHFFFAOYSA-N 0 1 293.269 2.689 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2cn(C)nc2C2CC2)cc1 ZINC000891398263 618185040 /nfs/dbraw/zinc/18/50/40/618185040.db2.gz AHNUMWOWDQGKMK-UHFFFAOYSA-N 0 1 298.434 2.996 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000893951731 618250862 /nfs/dbraw/zinc/25/08/62/618250862.db2.gz JPZLHACIUSJICJ-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000893966909 618254499 /nfs/dbraw/zinc/25/44/99/618254499.db2.gz UNGLHTFSAOXPLW-JTQLQIEISA-N 0 1 293.317 2.773 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000893994444 618261878 /nfs/dbraw/zinc/26/18/78/618261878.db2.gz MDSGPADLOKYSBX-CYBMUJFWSA-N 0 1 293.317 2.704 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894046662 618288097 /nfs/dbraw/zinc/28/80/97/618288097.db2.gz XWHMDTIBBCAGGX-SMDDNHRTSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894046662 618288099 /nfs/dbraw/zinc/28/80/99/618288099.db2.gz XWHMDTIBBCAGGX-SMDDNHRTSA-N 0 1 298.377 2.975 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000894086085 618308301 /nfs/dbraw/zinc/30/83/01/618308301.db2.gz APQWAXWPUHNCJZ-LBPRGKRZSA-N 0 1 297.345 2.919 20 10 CFCDMN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1O ZINC000179587114 618326460 /nfs/dbraw/zinc/32/64/60/618326460.db2.gz LVPVUPKFVCLYST-UHFFFAOYSA-N 0 1 299.296 2.777 20 10 CFCDMN CC(C)[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000310526446 618339990 /nfs/dbraw/zinc/33/99/90/618339990.db2.gz OWTUXMYSUWMYKT-ZDUSSCGKSA-N 0 1 257.761 2.542 20 10 CFCDMN CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1C ZINC000188298733 618342806 /nfs/dbraw/zinc/34/28/06/618342806.db2.gz LTRWLNNZKZURPF-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@H]1C ZINC000188298733 618342814 /nfs/dbraw/zinc/34/28/14/618342814.db2.gz LTRWLNNZKZURPF-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc(O)c(CNCc2cc(C)ncn2)c(Cl)c1 ZINC000840907193 618414556 /nfs/dbraw/zinc/41/45/56/618414556.db2.gz NBMNJCTXUYZRDO-UHFFFAOYSA-N 0 1 277.755 2.742 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CSC2)cc1Cl ZINC000895423804 618583490 /nfs/dbraw/zinc/58/34/90/618583490.db2.gz WFZBDUHEHUADGD-UHFFFAOYSA-N 0 1 257.786 2.807 20 10 CFCDMN C[C@@]1(O)C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000841890337 618599443 /nfs/dbraw/zinc/59/94/43/618599443.db2.gz AATGUYCWOJWMRW-AKAXFMLLSA-N 0 1 257.333 2.548 20 10 CFCDMN CC[C@H](NCc1cc[nH]n1)c1ccc(N(C)C)cc1 ZINC000177956232 618615245 /nfs/dbraw/zinc/61/52/45/618615245.db2.gz KPMSEYJDRYMZMY-HNNXBMFYSA-N 0 1 258.369 2.717 20 10 CFCDMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000236423458 618621878 /nfs/dbraw/zinc/62/18/78/618621878.db2.gz LOAMTLHKEUHQQV-ZDUSSCGKSA-N 0 1 281.327 2.751 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCN1CC(F)F ZINC000180543064 618863928 /nfs/dbraw/zinc/86/39/28/618863928.db2.gz SDPBFPWOVNAGKI-CQSZACIVSA-N 0 1 298.377 2.862 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)CCO)c(Cl)c1 ZINC000840948655 619117281 /nfs/dbraw/zinc/11/72/81/619117281.db2.gz HIPJEGRIUGQXOV-SNVBAGLBSA-N 0 1 271.788 2.852 20 10 CFCDMN COCC(C)(C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000066995980 619142891 /nfs/dbraw/zinc/14/28/91/619142891.db2.gz VQXLZZLOIDASRH-UHFFFAOYSA-N 0 1 288.185 2.669 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@H](C)[C@@H](C)O1 ZINC000894535492 619412716 /nfs/dbraw/zinc/41/27/16/619412716.db2.gz UNBXRLCDVFNWPF-OPRDCNLKSA-N 0 1 271.307 2.668 20 10 CFCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597107 619428458 /nfs/dbraw/zinc/42/84/58/619428458.db2.gz VJGCKVOVYOXPLD-GXFFZTMASA-N 0 1 285.334 2.796 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000894689762 619444378 /nfs/dbraw/zinc/44/43/78/619444378.db2.gz HXIKROFMUVVVLU-KGLIPLIRSA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000894697914 619446781 /nfs/dbraw/zinc/44/67/81/619446781.db2.gz QDKZQQRTCFBBOE-HNNXBMFYSA-N 0 1 283.318 2.673 20 10 CFCDMN COc1cc(C)cc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000894911248 619511232 /nfs/dbraw/zinc/51/12/32/619511232.db2.gz FSYYHHNZCQEVPO-AAEUAGOBSA-N 0 1 287.363 2.701 20 10 CFCDMN CCn1ccnc1[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894911930 619512118 /nfs/dbraw/zinc/51/21/18/619512118.db2.gz OKKULUIHOKMPAU-LBPRGKRZSA-N 0 1 289.379 2.776 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000895571915 619556626 /nfs/dbraw/zinc/55/66/26/619556626.db2.gz BWSBKALSOMWRMP-QMMMGPOBSA-N 0 1 261.699 2.976 20 10 CFCDMN Cc1cccc(O)c1CNCc1cc(C2CC2)no1 ZINC000895765802 619598419 /nfs/dbraw/zinc/59/84/19/619598419.db2.gz QKUHVPDJNFJXKR-UHFFFAOYSA-N 0 1 258.321 2.856 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896377327 619725637 /nfs/dbraw/zinc/72/56/37/619725637.db2.gz HSSUFPGWQQNBNK-LLVKDONJSA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896377327 619725640 /nfs/dbraw/zinc/72/56/40/619725640.db2.gz HSSUFPGWQQNBNK-LLVKDONJSA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896377327 619725644 /nfs/dbraw/zinc/72/56/44/619725644.db2.gz HSSUFPGWQQNBNK-LLVKDONJSA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(Cl)c1 ZINC000896382716 619726152 /nfs/dbraw/zinc/72/61/52/619726152.db2.gz YSDFVVVITGCKHP-NSHDSACASA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C3OCCO3)C2)c(Cl)c1 ZINC000896382716 619726153 /nfs/dbraw/zinc/72/61/53/619726153.db2.gz YSDFVVVITGCKHP-NSHDSACASA-N 0 1 297.782 2.549 20 10 CFCDMN COC(=O)C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000896471943 619741291 /nfs/dbraw/zinc/74/12/91/619741291.db2.gz ICJWJULCZQFAOU-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000896471943 619741292 /nfs/dbraw/zinc/74/12/92/619741292.db2.gz ICJWJULCZQFAOU-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(C)COC1 ZINC000862477534 620114806 /nfs/dbraw/zinc/11/48/06/620114806.db2.gz LWBMAMZVWNRGPR-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN CCOC(=O)[C@@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000192505971 620234148 /nfs/dbraw/zinc/23/41/48/620234148.db2.gz HQFAZTYNGWOAQK-HNNXBMFYSA-N 0 1 291.391 2.927 20 10 CFCDMN [O-]c1c(C[NH2+]C2CC(CCO)C2)ccc2ccccc21 ZINC000898010355 620316962 /nfs/dbraw/zinc/31/69/62/620316962.db2.gz JJKDDCIRECGUTQ-UHFFFAOYSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1Cl ZINC000898376560 620377828 /nfs/dbraw/zinc/37/78/28/620377828.db2.gz MXVXYPPYDMZHIL-GXTWGEPZSA-N 0 1 281.783 2.869 20 10 CFCDMN C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000927078528 620449356 /nfs/dbraw/zinc/44/93/56/620449356.db2.gz IMIURBLWYLIKLH-LLVKDONJSA-N 0 1 299.798 2.892 20 10 CFCDMN CCn1cnc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000902135238 620979760 /nfs/dbraw/zinc/97/97/60/620979760.db2.gz NTHQNBZNYQREMD-UHFFFAOYSA-N 0 1 284.407 2.575 20 10 CFCDMN CC(C)[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1nncn1C ZINC000903066747 621239200 /nfs/dbraw/zinc/23/92/00/621239200.db2.gz WVDLMNOUURAJNI-IINYFYTJSA-N 0 1 292.358 2.708 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000903299548 621314580 /nfs/dbraw/zinc/31/45/80/621314580.db2.gz OHUIRPNWHBZSMW-GZBFAFLISA-N 0 1 299.798 2.890 20 10 CFCDMN CC[C@H](NCc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000903350768 621343026 /nfs/dbraw/zinc/34/30/26/621343026.db2.gz DFGGHDYNVWAVIM-INIZCTEOSA-N 0 1 272.396 2.727 20 10 CFCDMN CCN(CC)c1ccc(CNc2ccncc2C(N)=O)cc1 ZINC000184062997 625571050 /nfs/dbraw/zinc/57/10/50/625571050.db2.gz WRALSPGSDSXSFD-UHFFFAOYSA-N 0 1 298.390 2.639 20 10 CFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cncnc1 ZINC000156836231 622971516 /nfs/dbraw/zinc/97/15/16/622971516.db2.gz BIKYJPHJFCHXJB-UHFFFAOYSA-N 0 1 270.380 2.565 20 10 CFCDMN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000227830076 623120444 /nfs/dbraw/zinc/12/04/44/623120444.db2.gz SJETZJLWXBECEI-QWHCGFSZSA-N 0 1 269.772 2.949 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2cnn3c2CCC3)cc1 ZINC000824474411 623511107 /nfs/dbraw/zinc/51/11/07/623511107.db2.gz OGJSZCWAAAGMSS-UHFFFAOYSA-N 0 1 284.407 2.527 20 10 CFCDMN CC(C)N(Cc1c(O)ccc(Cl)c1F)C1COC1 ZINC000824472767 623511382 /nfs/dbraw/zinc/51/13/82/623511382.db2.gz YAKFBTRFDKDVHI-UHFFFAOYSA-N 0 1 273.735 2.794 20 10 CFCDMN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000840747002 623515571 /nfs/dbraw/zinc/51/55/71/623515571.db2.gz STKQIOIBSNKIBL-CHWSQXEVSA-N 0 1 272.396 2.898 20 10 CFCDMN COC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824542029 623521103 /nfs/dbraw/zinc/52/11/03/623521103.db2.gz OBYUBEJWQDCFPD-UHFFFAOYSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636830 623537408 /nfs/dbraw/zinc/53/74/08/623537408.db2.gz UGAHNVGCNHVARI-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636830 623537410 /nfs/dbraw/zinc/53/74/10/623537410.db2.gz UGAHNVGCNHVARI-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CCO)C2)cc1Cl ZINC000824720343 623552436 /nfs/dbraw/zinc/55/24/36/623552436.db2.gz PKUYVZBZNFKIDV-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CCO)C2)cc1Cl ZINC000824720343 623552439 /nfs/dbraw/zinc/55/24/39/623552439.db2.gz PKUYVZBZNFKIDV-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845286 623576470 /nfs/dbraw/zinc/57/64/70/623576470.db2.gz IWIORDUKBJSEPO-XJKSGUPXSA-N 0 1 295.810 2.932 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824856324 623579113 /nfs/dbraw/zinc/57/91/13/623579113.db2.gz VROJXARCXPHSQL-LBPRGKRZSA-N 0 1 297.782 2.882 20 10 CFCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824856324 623579118 /nfs/dbraw/zinc/57/91/18/623579118.db2.gz VROJXARCXPHSQL-LBPRGKRZSA-N 0 1 297.782 2.882 20 10 CFCDMN C[C@H]1C[C@@H](NCc2cc(F)ccc2O)c2nccn21 ZINC000825016537 623607171 /nfs/dbraw/zinc/60/71/71/623607171.db2.gz DLXVDJZNKQUUFV-JOYOIKCWSA-N 0 1 261.300 2.523 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017803 623608591 /nfs/dbraw/zinc/60/85/91/623608591.db2.gz YWDORYIRWMXAEP-SUNKGSAMSA-N 0 1 287.363 2.954 20 10 CFCDMN CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825090447 623627653 /nfs/dbraw/zinc/62/76/53/623627653.db2.gz VRPJWKCMQOTTFW-CYBMUJFWSA-N 0 1 257.761 2.605 20 10 CFCDMN COCCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825114154 623633115 /nfs/dbraw/zinc/63/31/15/623633115.db2.gz OSJSXRYCDDSUGM-UHFFFAOYSA-N 0 1 257.761 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CCOCC2)cc1Cl ZINC000825125576 623635622 /nfs/dbraw/zinc/63/56/22/623635622.db2.gz LVFHHIRMVLZAAF-UHFFFAOYSA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCOC2)cc1Cl ZINC000825131065 623636018 /nfs/dbraw/zinc/63/60/18/623636018.db2.gz IVTQREKXDUWKHI-NSHDSACASA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825144154 623638590 /nfs/dbraw/zinc/63/85/90/623638590.db2.gz LLFYAOSKDXLYSS-SNVBAGLBSA-N 0 1 298.814 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(=O)NC(C)(C)C)cc1Cl ZINC000825254546 623659492 /nfs/dbraw/zinc/65/94/92/623659492.db2.gz RASHYUPIAVRHKP-UHFFFAOYSA-N 0 1 298.814 2.748 20 10 CFCDMN CC[C@H](O)CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297528 623665539 /nfs/dbraw/zinc/66/55/39/623665539.db2.gz HJWFZILJTWIHNW-LBPRGKRZSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1Cl ZINC000825298203 623665617 /nfs/dbraw/zinc/66/56/17/623665617.db2.gz WZLUSCVMFVTBON-LBPRGKRZSA-N 0 1 291.782 2.724 20 10 CFCDMN CC[C@@H](COC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297873 623666025 /nfs/dbraw/zinc/66/60/25/623666025.db2.gz PAOPXWSSULRXMF-NSHDSACASA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1Cl ZINC000825566904 623716823 /nfs/dbraw/zinc/71/68/23/623716823.db2.gz BTOAISKKALGKEI-ZWNOBZJWSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1Cl ZINC000825566904 623716830 /nfs/dbraw/zinc/71/68/30/623716830.db2.gz BTOAISKKALGKEI-ZWNOBZJWSA-N 0 1 269.772 2.557 20 10 CFCDMN COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825629010 623726577 /nfs/dbraw/zinc/72/65/77/623726577.db2.gz PHRGTXOENISLBO-CYBMUJFWSA-N 0 1 299.798 2.591 20 10 CFCDMN COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825629010 623726579 /nfs/dbraw/zinc/72/65/79/623726579.db2.gz PHRGTXOENISLBO-CYBMUJFWSA-N 0 1 299.798 2.591 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H]1C ZINC000825658592 623732395 /nfs/dbraw/zinc/73/23/95/623732395.db2.gz RPCKROVBVZCEMI-CMPLNLGQSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H]1C ZINC000825658592 623732399 /nfs/dbraw/zinc/73/23/99/623732399.db2.gz RPCKROVBVZCEMI-CMPLNLGQSA-N 0 1 297.782 2.737 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)cc1Cl ZINC000825704530 623743755 /nfs/dbraw/zinc/74/37/55/623743755.db2.gz SRFKSHKFZAAOLF-ZWNOBZJWSA-N 0 1 269.772 2.869 20 10 CFCDMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825948625 623774435 /nfs/dbraw/zinc/77/44/35/623774435.db2.gz GIVQVSCRIUPVDR-ZJUUUORDSA-N 0 1 257.761 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CCCC2)cc1Cl ZINC000825955550 623775179 /nfs/dbraw/zinc/77/51/79/623775179.db2.gz NYDZQOZQMHPOBD-CQSZACIVSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000825956137 623775728 /nfs/dbraw/zinc/77/57/28/623775728.db2.gz XPPGQQCIAPNMLU-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000825956137 623775733 /nfs/dbraw/zinc/77/57/33/623775733.db2.gz XPPGQQCIAPNMLU-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC3(C2)CCOCC3)cc1Cl ZINC000826113051 623794457 /nfs/dbraw/zinc/79/44/57/623794457.db2.gz GJMHZKTYNDFEAL-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433758 623849581 /nfs/dbraw/zinc/84/95/81/623849581.db2.gz WDEPRWLYARLNSQ-WCQYABFASA-N 0 1 267.756 2.560 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C2(CO)CC2)cc1Cl ZINC000826990852 623920168 /nfs/dbraw/zinc/92/01/68/623920168.db2.gz OSTVSWODFIZWCV-JTQLQIEISA-N 0 1 269.772 2.605 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)[C@H]1O ZINC000827151783 623954852 /nfs/dbraw/zinc/95/48/52/623954852.db2.gz JPLIXEWGNUYQDK-WOFXILAISA-N 0 1 287.762 2.633 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151935 623955192 /nfs/dbraw/zinc/95/51/92/623955192.db2.gz NMTVQTQBAAXOGH-HNNXBMFYSA-N 0 1 299.773 2.922 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)ccc2ccccc21 ZINC000827292367 623981988 /nfs/dbraw/zinc/98/19/88/623981988.db2.gz QJBWOUCLRUIZAA-WMLDXEAASA-N 0 1 269.344 2.502 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)ccc2ccccc21 ZINC000827292367 623981993 /nfs/dbraw/zinc/98/19/93/623981993.db2.gz QJBWOUCLRUIZAA-WMLDXEAASA-N 0 1 269.344 2.502 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000827364625 623993709 /nfs/dbraw/zinc/99/37/09/623993709.db2.gz GJXSTCQRFHASKY-KGLIPLIRSA-N 0 1 281.783 2.747 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CCC2)c(Cl)c1 ZINC000827903837 624126057 /nfs/dbraw/zinc/12/60/57/624126057.db2.gz QMRSJQQNAKWFFA-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C2(CO)CCC2)c(Cl)c1 ZINC000827903837 624126059 /nfs/dbraw/zinc/12/60/59/624126059.db2.gz QMRSJQQNAKWFFA-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1O ZINC000827946571 624134977 /nfs/dbraw/zinc/13/49/77/624134977.db2.gz MNCULMZNOOWCEV-LLVKDONJSA-N 0 1 299.374 2.875 20 10 CFCDMN [O-]c1c(C[NH2+]CCOCCF)ccc2ccccc21 ZINC000827947745 624135848 /nfs/dbraw/zinc/13/58/48/624135848.db2.gz BZROZHMULWNGCY-UHFFFAOYSA-N 0 1 263.312 2.621 20 10 CFCDMN CCCC[N@@H+](Cc1ccccc1O)CC1(C(=O)OC)CC1 ZINC000829516345 624450553 /nfs/dbraw/zinc/45/05/53/624450553.db2.gz USNKSAMNCLGYKO-UHFFFAOYSA-N 0 1 291.391 2.948 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000831334427 624991120 /nfs/dbraw/zinc/99/11/20/624991120.db2.gz WDGBUEIRWFMWIF-KBPBESRZSA-N 0 1 295.354 2.637 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H]2CCn3ccnc32)c(O)c1 ZINC000834832878 625892961 /nfs/dbraw/zinc/89/29/61/625892961.db2.gz SJWGUBUOQGFQAP-DGCLKSJQSA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)NCc2nnc(C3CC3)[nH]2)c1 ZINC000834870515 625905356 /nfs/dbraw/zinc/90/53/56/625905356.db2.gz HWYQJPFWMWSYCX-SNVBAGLBSA-N 0 1 272.352 2.547 20 10 CFCDMN COc1cccnc1CN[C@@H](C)c1ccc(C)cc1O ZINC000834907202 625919046 /nfs/dbraw/zinc/91/90/46/625919046.db2.gz YLURHTBTMWPTTI-LBPRGKRZSA-N 0 1 272.348 2.955 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(=O)NC ZINC000834913396 625920874 /nfs/dbraw/zinc/92/08/74/625920874.db2.gz OPXSHCJLXDDAAI-NHYWBVRUSA-N 0 1 286.375 2.721 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834915183 625921331 /nfs/dbraw/zinc/92/13/31/625921331.db2.gz QECKDQLBQPTZBD-OUCADQQQSA-N 0 1 269.772 3.000 20 10 CFCDMN CC[C@@H]([NH2+][C@H](CC)c1cc(Cl)ccc1[O-])C(=O)NC ZINC000834915368 625921497 /nfs/dbraw/zinc/92/14/97/625921497.db2.gz XTEHAIPABLLQQE-VXGBXAGGSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834915185 625921662 /nfs/dbraw/zinc/92/16/62/625921662.db2.gz QECKDQLBQPTZBD-YRGRVCCFSA-N 0 1 269.772 3.000 20 10 CFCDMN COc1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000921518100 625965274 /nfs/dbraw/zinc/96/52/74/625965274.db2.gz HUHUJRWUYPAICZ-UHFFFAOYSA-N 0 1 284.359 2.705 20 10 CFCDMN CCc1[nH]nc(Cl)c1CNCc1ccccc1O ZINC000921651092 626046759 /nfs/dbraw/zinc/04/67/59/626046759.db2.gz KURAXWWRPHZKBH-UHFFFAOYSA-N 0 1 265.744 2.621 20 10 CFCDMN CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(Cl)ccc3[O-])C[C@@H]2O1 ZINC000922875779 626384234 /nfs/dbraw/zinc/38/42/34/626384234.db2.gz MVFDLRXPCGWXDW-DEZZGGKRSA-N 0 1 297.782 2.818 20 10 CFCDMN COc1cccc(O)c1CN[C@@H]1CCCc2cccnc21 ZINC000922881460 626386633 /nfs/dbraw/zinc/38/66/33/626386633.db2.gz IARQNJDAKZBBQF-CQSZACIVSA-N 0 1 284.359 2.963 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cncc(O)c2)cc1 ZINC000922976605 626437856 /nfs/dbraw/zinc/43/78/56/626437856.db2.gz BZAYPTGWLXWTNH-UHFFFAOYSA-N 0 1 285.391 2.923 20 10 CFCDMN CCc1onc(C)c1CNCc1ccc(N(C)C)cc1 ZINC000922988758 626440142 /nfs/dbraw/zinc/44/01/42/626440142.db2.gz WCKDZHGITRAGGF-UHFFFAOYSA-N 0 1 273.380 2.901 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253805 626459528 /nfs/dbraw/zinc/45/95/28/626459528.db2.gz KXRWFNBTDXLNTJ-SWLSCSKDSA-N 0 1 290.407 2.604 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1N(C)C ZINC000923251628 626460148 /nfs/dbraw/zinc/46/01/48/626460148.db2.gz GCYGLUUCLYFROU-UKRRQHHQSA-N 0 1 290.407 2.746 20 10 CFCDMN CCC[C@](C)(CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825278414 626480691 /nfs/dbraw/zinc/48/06/91/626480691.db2.gz LLIOKVDNCXVFSX-CQSZACIVSA-N 0 1 271.788 2.995 20 10 CFCDMN CCN(CC)c1ccc(CN2CC(C(C)(C)O)C2)cc1F ZINC000839139535 626528350 /nfs/dbraw/zinc/52/83/50/626528350.db2.gz HQVSXBMZPUUTIU-UHFFFAOYSA-N 0 1 294.414 2.875 20 10 CFCDMN CCOC1(C)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839141981 626528754 /nfs/dbraw/zinc/52/87/54/626528754.db2.gz DDJSZWKDPISSAY-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191596 626530811 /nfs/dbraw/zinc/53/08/11/626530811.db2.gz IHRZEYKKFOQRTL-QWRGUYRKSA-N 0 1 255.770 2.735 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191596 626530812 /nfs/dbraw/zinc/53/08/12/626530812.db2.gz IHRZEYKKFOQRTL-QWRGUYRKSA-N 0 1 255.770 2.735 20 10 CFCDMN CCN(CC)c1ccc(CNCc2cc(C)ncn2)cc1 ZINC000756989339 626543209 /nfs/dbraw/zinc/54/32/09/626543209.db2.gz CZIIXRHYSDKASK-UHFFFAOYSA-N 0 1 284.407 2.921 20 10 CFCDMN Cc1nnc(CN[C@@H](C)c2cc(F)cc(F)c2O)s1 ZINC000757640409 626557026 /nfs/dbraw/zinc/55/70/26/626557026.db2.gz ZRZLKIYYPFCOKQ-LURJTMIESA-N 0 1 285.319 2.681 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC(F)F ZINC000805165328 626593059 /nfs/dbraw/zinc/59/30/59/626593059.db2.gz GDHFRLDTXXWKGB-UHFFFAOYSA-N 0 1 299.104 2.763 20 10 CFCDMN Cc1ccc(O)c(CNCc2nc3ccccc3n2C)c1 ZINC000761221333 626816673 /nfs/dbraw/zinc/81/66/73/626816673.db2.gz IJJUXOMHYXQZOH-UHFFFAOYSA-N 0 1 281.359 2.877 20 10 CFCDMN CN(Cc1cc(C2CC2)no1)Cc1ccccc1O ZINC000851840340 634553825 /nfs/dbraw/zinc/55/38/25/634553825.db2.gz CXLVNDVWAHRTBY-UHFFFAOYSA-N 0 1 258.321 2.890 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)CCOC(C)(C)C)c1O ZINC000767903608 627292984 /nfs/dbraw/zinc/29/29/84/627292984.db2.gz GVLGAXPFDQZGHD-UHFFFAOYSA-N 0 1 297.370 2.981 20 10 CFCDMN CCN(CC(=O)NC)Cc1cc(-c2ccccc2)ccc1O ZINC000768302488 627331601 /nfs/dbraw/zinc/33/16/01/627331601.db2.gz MDDUUMGZFQYUHY-UHFFFAOYSA-N 0 1 298.386 2.627 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518244 627348725 /nfs/dbraw/zinc/34/87/25/627348725.db2.gz ABVWAFACFLEOKA-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000769399533 627434609 /nfs/dbraw/zinc/43/46/09/627434609.db2.gz TZQLZOOBBVNBFA-ZDUSSCGKSA-N 0 1 279.380 2.648 20 10 CFCDMN COc1cccc(O)c1CN1CCOC[C@@H]1CC(C)C ZINC000769399533 627434615 /nfs/dbraw/zinc/43/46/15/627434615.db2.gz TZQLZOOBBVNBFA-ZDUSSCGKSA-N 0 1 279.380 2.648 20 10 CFCDMN CCN(C)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000773811863 627860798 /nfs/dbraw/zinc/86/07/98/627860798.db2.gz DAURDLMECMRNNO-QGZVFWFLSA-N 0 1 274.408 2.754 20 10 CFCDMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000774831485 627968864 /nfs/dbraw/zinc/96/88/64/627968864.db2.gz VEFVOUWNSOPXJR-IINYFYTJSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904664 627978229 /nfs/dbraw/zinc/97/82/29/627978229.db2.gz IXRZEOWGITWREF-PWSUYJOCSA-N 0 1 294.351 2.929 20 10 CFCDMN CC[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775482793 628029653 /nfs/dbraw/zinc/02/96/53/628029653.db2.gz BBHIAVNMJKIAIX-ZYHUDNBSSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000775484283 628030258 /nfs/dbraw/zinc/03/02/58/628030258.db2.gz AGZFURHMUPSHIP-LBPRGKRZSA-N 0 1 284.787 2.611 20 10 CFCDMN CC[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)ccc1[O-] ZINC000775526368 628033726 /nfs/dbraw/zinc/03/37/26/628033726.db2.gz RRKPMMOLVNFFIB-GFCCVEGCSA-N 0 1 285.771 2.849 20 10 CFCDMN CC[C@@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1[O-] ZINC000775532571 628034584 /nfs/dbraw/zinc/03/45/84/628034584.db2.gz GRMHHUCRLNBFHR-CYBMUJFWSA-N 0 1 294.786 2.768 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000775649092 628050298 /nfs/dbraw/zinc/05/02/98/628050298.db2.gz KVYBKRATXFLNHQ-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000775674448 628052868 /nfs/dbraw/zinc/05/28/68/628052868.db2.gz BSCVDNRMZLXFQL-CYBMUJFWSA-N 0 1 297.782 2.773 20 10 CFCDMN CC[N@H+]1C[C@@H](C)N(Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775713981 628058771 /nfs/dbraw/zinc/05/87/71/628058771.db2.gz XZUWOIZMWKVMOE-VXGBXAGGSA-N 0 1 282.815 2.960 20 10 CFCDMN CCCCN(Cc1cn(C)cn1)Cc1ccccc1O ZINC000852019103 634629152 /nfs/dbraw/zinc/62/91/52/634629152.db2.gz URACPQCMGGNRIK-UHFFFAOYSA-N 0 1 273.380 2.928 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1[O-] ZINC000779061066 628349042 /nfs/dbraw/zinc/34/90/42/628349042.db2.gz IYDONVZDGZLAIS-ZYHUDNBSSA-N 0 1 291.782 2.908 20 10 CFCDMN COc1ccc(O)c(CN2CC[C@H](C)[C@@H](F)C2)c1 ZINC000779151308 628355499 /nfs/dbraw/zinc/35/54/99/628355499.db2.gz XBKXFWAHNRFBON-GWCFXTLKSA-N 0 1 253.317 2.581 20 10 CFCDMN COc1cccc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000779149605 628356129 /nfs/dbraw/zinc/35/61/29/628356129.db2.gz NNFOPFAWLHPOJC-ZYHUDNBSSA-N 0 1 253.317 2.581 20 10 CFCDMN CCOc1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC000779149671 628356354 /nfs/dbraw/zinc/35/63/54/628356354.db2.gz OCTBLLNPBBHYCT-BXUZGUMPSA-N 0 1 267.344 2.971 20 10 CFCDMN COc1ccc(CN[C@@H](C)c2nccnc2C)cc1C ZINC000783238074 628691170 /nfs/dbraw/zinc/69/11/70/628691170.db2.gz PRUMXELSCIYEPY-ZDUSSCGKSA-N 0 1 271.364 2.953 20 10 CFCDMN CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000840826148 628702121 /nfs/dbraw/zinc/70/21/21/628702121.db2.gz QWFQKLPEBOJMDR-MFKMUULPSA-N 0 1 296.798 2.613 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000840826149 628702329 /nfs/dbraw/zinc/70/23/29/628702329.db2.gz QWFQKLPEBOJMDR-ZWNOBZJWSA-N 0 1 296.798 2.613 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c(O)c1 ZINC000783737515 628739921 /nfs/dbraw/zinc/73/99/21/628739921.db2.gz MDVQQKMRMTYURU-RWMBFGLXSA-N 0 1 279.380 2.789 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669083 628835729 /nfs/dbraw/zinc/83/57/29/628835729.db2.gz CGHUBOPXZDNZKY-JOCQHMNTSA-N 0 1 269.772 2.781 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669083 628835732 /nfs/dbraw/zinc/83/57/32/628835732.db2.gz CGHUBOPXZDNZKY-JOCQHMNTSA-N 0 1 269.772 2.781 20 10 CFCDMN CN(Cc1ncc[nH]1)Cc1cccc(Br)c1O ZINC000787769749 629033578 /nfs/dbraw/zinc/03/35/78/629033578.db2.gz HRVVGGMFUXJDIU-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000790231909 629221359 /nfs/dbraw/zinc/22/13/59/629221359.db2.gz SPTPCZIQLHTQCA-HNNXBMFYSA-N 0 1 278.396 2.828 20 10 CFCDMN Cc1nc2ccc(NC(=O)c3cccc(O)c3O)cc2[nH]1 ZINC000790496638 629243129 /nfs/dbraw/zinc/24/31/29/629243129.db2.gz XGEDUPGCCGOQDH-UHFFFAOYSA-N 0 1 283.287 2.535 20 10 CFCDMN Cc1noc(C(C)(C)NCc2c(O)ccc(Cl)c2F)n1 ZINC000790623440 629252874 /nfs/dbraw/zinc/25/28/74/629252874.db2.gz UIJFQWXDICFQMX-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN Cc1c(CN(C)Cc2cc(Cl)ccc2O)cnn1C ZINC000790936384 629272120 /nfs/dbraw/zinc/27/21/20/629272120.db2.gz GJIJUJSKYWCQLK-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN Cc1c(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cnn1C ZINC000790936384 629272123 /nfs/dbraw/zinc/27/21/23/629272123.db2.gz GJIJUJSKYWCQLK-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN Cc1c(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cnn1C ZINC000790936384 629272127 /nfs/dbraw/zinc/27/21/27/629272127.db2.gz GJIJUJSKYWCQLK-UHFFFAOYSA-N 0 1 279.771 2.720 20 10 CFCDMN Cc1c(CN(C)Cc2c(O)ccc(Cl)c2F)cnn1C ZINC000790937140 629273093 /nfs/dbraw/zinc/27/30/93/629273093.db2.gz KARCKXJKVCAVJC-UHFFFAOYSA-N 0 1 297.761 2.859 20 10 CFCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cn[nH]c2)cc1 ZINC000835029793 629327342 /nfs/dbraw/zinc/32/73/42/629327342.db2.gz SMNXSCVMMRFLJG-PLNGDYQASA-N 0 1 270.380 2.621 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+](CCCO)C1CC1 ZINC000792164635 629403981 /nfs/dbraw/zinc/40/39/81/629403981.db2.gz AZMQLDTWMUKOJU-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174329 629405624 /nfs/dbraw/zinc/40/56/24/629405624.db2.gz RYXQFFKBTMOITD-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN COc1cc(CN2CC(C)(C)OC[C@@H]2C)c(O)cc1C ZINC000792721960 629447102 /nfs/dbraw/zinc/44/71/02/629447102.db2.gz ICQCIYWKXGIZSN-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN CCOc1ccc(CNCc2cccnc2F)c(O)c1 ZINC000793279276 629518921 /nfs/dbraw/zinc/51/89/21/629518921.db2.gz CLHILQSZKBQERJ-UHFFFAOYSA-N 0 1 276.311 2.615 20 10 CFCDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CCC1 ZINC000793351199 629529555 /nfs/dbraw/zinc/52/95/55/629529555.db2.gz CVZFUBRTJRMBAT-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN Cc1ccc(C[N@@H+](CCO)Cc2cccc(Cl)c2[O-])o1 ZINC000793367301 629531828 /nfs/dbraw/zinc/53/18/28/629531828.db2.gz YKPSYVFBJPGJBG-UHFFFAOYSA-N 0 1 295.766 2.942 20 10 CFCDMN COc1cc(C)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000794652260 629671758 /nfs/dbraw/zinc/67/17/58/629671758.db2.gz INLQQBBMDWSYSO-MLGOLLRUSA-N 0 1 291.391 2.709 20 10 CFCDMN COC[C@]1(C)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840109855 630903920 /nfs/dbraw/zinc/90/39/20/630903920.db2.gz YQTDJZWJSFNPRC-QGZVFWFLSA-N 0 1 286.375 2.799 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000840109855 630903924 /nfs/dbraw/zinc/90/39/24/630903924.db2.gz YQTDJZWJSFNPRC-QGZVFWFLSA-N 0 1 286.375 2.799 20 10 CFCDMN C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccn(C)n1 ZINC000840816497 631230667 /nfs/dbraw/zinc/23/06/67/631230667.db2.gz OJTANKLGCMQNFC-UWVGGRQHSA-N 0 1 263.316 2.677 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000840825752 631232267 /nfs/dbraw/zinc/23/22/67/631232267.db2.gz KOIRWAXRNAWOCL-TZMCWYRMSA-N 0 1 298.386 2.722 20 10 CFCDMN CS[C@H](CO)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900439 631257118 /nfs/dbraw/zinc/25/71/18/631257118.db2.gz RYKDLFATGGGGAT-TVQRCGJNSA-N 0 1 289.828 2.556 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(Cl)c1 ZINC000840906106 631257437 /nfs/dbraw/zinc/25/74/37/631257437.db2.gz IWTJJDJZYXVFTB-LLVKDONJSA-N 0 1 291.782 2.724 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000840910819 631261315 /nfs/dbraw/zinc/26/13/15/631261315.db2.gz SJSCPVDTAXOWPZ-KBPBESRZSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1C[C@H](C)OC[C@@H]1C ZINC000840910819 631261320 /nfs/dbraw/zinc/26/13/20/631261320.db2.gz SJSCPVDTAXOWPZ-KBPBESRZSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCOCC2)c(Cl)c1 ZINC000840911402 631261524 /nfs/dbraw/zinc/26/15/24/631261524.db2.gz ZJWJOWCOYJNOTE-UHFFFAOYSA-N 0 1 255.745 2.576 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000840911402 631261528 /nfs/dbraw/zinc/26/15/28/631261528.db2.gz ZJWJOWCOYJNOTE-UHFFFAOYSA-N 0 1 255.745 2.576 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCOCC2)c(Cl)c1 ZINC000840911402 631261533 /nfs/dbraw/zinc/26/15/33/631261533.db2.gz ZJWJOWCOYJNOTE-UHFFFAOYSA-N 0 1 255.745 2.576 20 10 CFCDMN Cc1cc(O)c(CN2CCCOCC2)c(Cl)c1 ZINC000840911402 631261539 /nfs/dbraw/zinc/26/15/39/631261539.db2.gz ZJWJOWCOYJNOTE-UHFFFAOYSA-N 0 1 255.745 2.576 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840915921 631262887 /nfs/dbraw/zinc/26/28/87/631262887.db2.gz HOXZFZOZYOUGPA-LLVKDONJSA-N 0 1 297.782 2.882 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840915921 631262893 /nfs/dbraw/zinc/26/28/93/631262893.db2.gz HOXZFZOZYOUGPA-LLVKDONJSA-N 0 1 297.782 2.882 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840941314 631271841 /nfs/dbraw/zinc/27/18/41/631271841.db2.gz WHFGVOVBNBDRPC-ZDUSSCGKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840941314 631271844 /nfs/dbraw/zinc/27/18/44/631271844.db2.gz WHFGVOVBNBDRPC-ZDUSSCGKSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000840943143 631273892 /nfs/dbraw/zinc/27/38/92/631273892.db2.gz FCWOWHREQUEWFL-AWEZNQCLSA-N 0 1 284.350 2.875 20 10 CFCDMN C[N@@H+](CCN1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809737355 631273965 /nfs/dbraw/zinc/27/39/65/631273965.db2.gz FZCCZYHOGUCLSX-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2=CCCOC2)c(Cl)c1 ZINC000840945730 631275085 /nfs/dbraw/zinc/27/50/85/631275085.db2.gz WJVKHHCPSDWMPI-UHFFFAOYSA-N 0 1 267.756 2.790 20 10 CFCDMN CCOC(=O)c1ccc(CNCc2cc(C)ccc2O)o1 ZINC000809743023 631276105 /nfs/dbraw/zinc/27/61/05/631276105.db2.gz ITGWJNPXCXMZMP-UHFFFAOYSA-N 0 1 289.331 2.760 20 10 CFCDMN CC[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@@H](C)O ZINC000840950726 631279202 /nfs/dbraw/zinc/27/92/02/631279202.db2.gz NJCBMUMXIXTXMS-SKDRFNHKSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(CO)CC2)c(Cl)c1 ZINC000840950265 631279736 /nfs/dbraw/zinc/27/97/36/631279736.db2.gz IJMFRMVTWVCUHX-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCc2cnc(C)cn2)c(Cl)c1 ZINC000840953565 631280339 /nfs/dbraw/zinc/28/03/39/631280339.db2.gz VBTYARZCNCHBAM-UHFFFAOYSA-N 0 1 291.782 2.785 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(O)c1 ZINC000840953858 631280742 /nfs/dbraw/zinc/28/07/42/631280742.db2.gz BRXIOXQDMYDOHT-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(CN2CCO[C@H](C3CCC3)C2)c(O)c1 ZINC000840953858 631280749 /nfs/dbraw/zinc/28/07/49/631280749.db2.gz BRXIOXQDMYDOHT-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN C[N@@H+](CCCn1ccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809753509 631281107 /nfs/dbraw/zinc/28/11/07/631281107.db2.gz UZNFETDZEPRVHC-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN CCn1ccc(CNCc2cc(C)c(C)cc2O)n1 ZINC000840954843 631281343 /nfs/dbraw/zinc/28/13/43/631281343.db2.gz KXWLTPORJODRMY-UHFFFAOYSA-N 0 1 259.353 2.515 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(C)C ZINC000840967796 631287713 /nfs/dbraw/zinc/28/77/13/631287713.db2.gz RHJRSSISTWPFCT-GXTWGEPZSA-N 0 1 271.788 2.931 20 10 CFCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1csnn1 ZINC000840969339 631288873 /nfs/dbraw/zinc/28/88/73/631288873.db2.gz CNTFVLWAELUTJD-LURJTMIESA-N 0 1 287.747 2.887 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975949 631290605 /nfs/dbraw/zinc/29/06/05/631290605.db2.gz ATDQTUAROMQRDZ-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN O=C([O-])[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840995478 631296251 /nfs/dbraw/zinc/29/62/51/631296251.db2.gz PLPDQHXQKJFWAT-HNNXBMFYSA-N 0 1 297.354 2.966 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000840995476 631296320 /nfs/dbraw/zinc/29/63/20/631296320.db2.gz PDYSIVBCWUCORD-ZDUSSCGKSA-N 0 1 294.370 2.578 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000840997678 631298211 /nfs/dbraw/zinc/29/82/11/631298211.db2.gz ZIZFGSSDNRRFTI-JTQLQIEISA-N 0 1 283.755 2.651 20 10 CFCDMN N[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841048029 631320706 /nfs/dbraw/zinc/32/07/06/631320706.db2.gz BCYGBAFCTNESPM-NSHDSACASA-N 0 1 275.179 2.526 20 10 CFCDMN C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841753401 631466260 /nfs/dbraw/zinc/46/62/60/631466260.db2.gz ZOHHMWDSOHSMQH-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H](NCc1ccn(C)n1)c1ccc(Cl)cc1O ZINC000841753401 631466265 /nfs/dbraw/zinc/46/62/65/631466265.db2.gz ZOHHMWDSOHSMQH-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841753217 631466641 /nfs/dbraw/zinc/46/66/41/631466641.db2.gz FBVDOEXJOXZBAR-GGZOMVNGSA-N 0 1 255.745 2.610 20 10 CFCDMN CCc1nncn1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756018 631466812 /nfs/dbraw/zinc/46/68/12/631466812.db2.gz TUGZHFMUEVEFIF-SNVBAGLBSA-N 0 1 294.786 2.550 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Cl)cc1[O-] ZINC000841760564 631467806 /nfs/dbraw/zinc/46/78/06/631467806.db2.gz SNHZRVRKZPITNX-WDEREUQCSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759053 631467882 /nfs/dbraw/zinc/46/78/82/631467882.db2.gz MYSZBNUZGWBASW-MDZLAQPJSA-N 0 1 299.798 2.890 20 10 CFCDMN O=C([O-])C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000841812118 631474263 /nfs/dbraw/zinc/47/42/63/631474263.db2.gz UUIDBAMVTCZFNP-UHFFFAOYSA-N 0 1 287.718 2.529 20 10 CFCDMN CC[C@H](C)C[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000842755385 631729742 /nfs/dbraw/zinc/72/97/42/631729742.db2.gz YBYFFMOQJVYPAX-WDEREUQCSA-N 0 1 271.788 2.932 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC000843041136 631810957 /nfs/dbraw/zinc/81/09/57/631810957.db2.gz OVQHOTUKXZVCTM-HZMBPMFUSA-N 0 1 277.364 2.552 20 10 CFCDMN [NH3+]CC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843123443 631842807 /nfs/dbraw/zinc/84/28/07/631842807.db2.gz JLVHOJGPWDKOSR-GFCCVEGCSA-N 0 1 286.778 2.888 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000843417311 631949096 /nfs/dbraw/zinc/94/90/96/631949096.db2.gz APWLYTUTJSIEAV-AWEZNQCLSA-N 0 1 299.823 2.754 20 10 CFCDMN COC/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683772 631949607 /nfs/dbraw/zinc/94/96/07/631949607.db2.gz CHOYUVDDDWSVNE-IHWYPQMZSA-N 0 1 290.146 2.518 20 10 CFCDMN COc1ccc(O)c(CN2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000843433011 631957395 /nfs/dbraw/zinc/95/73/95/631957395.db2.gz UEUUASYCYVKXOC-GFCCVEGCSA-N 0 1 277.364 2.544 20 10 CFCDMN C[N@H+]1CC[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000814178068 632024577 /nfs/dbraw/zinc/02/45/77/632024577.db2.gz AQFRBMPTTCCPNH-OAHLLOKOSA-N 0 1 298.789 2.712 20 10 CFCDMN C[N@H+]1CC[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000814178067 632025026 /nfs/dbraw/zinc/02/50/26/632025026.db2.gz AQFRBMPTTCCPNH-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C1CC1 ZINC000105488018 632166758 /nfs/dbraw/zinc/16/67/58/632166758.db2.gz JLKKOBJETUFQIC-JTQLQIEISA-N 0 1 268.788 2.618 20 10 CFCDMN Cc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1N(C)C ZINC000815096249 632200725 /nfs/dbraw/zinc/20/07/25/632200725.db2.gz ZOQBXSDCIILJKO-KRWDZBQOSA-N 0 1 274.408 2.672 20 10 CFCDMN Cc1cc(CN2CCO[C@H](C3CC3)C2)ccc1N(C)C ZINC000815096249 632200727 /nfs/dbraw/zinc/20/07/27/632200727.db2.gz ZOQBXSDCIILJKO-KRWDZBQOSA-N 0 1 274.408 2.672 20 10 CFCDMN C[C@@H](NCc1cnn(C)c1Cl)c1ccc(N(C)C)cc1 ZINC000815136155 632213996 /nfs/dbraw/zinc/21/39/96/632213996.db2.gz PSKJAOWNTXJCPI-LLVKDONJSA-N 0 1 292.814 2.990 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000815148352 632217845 /nfs/dbraw/zinc/21/78/45/632217845.db2.gz UFLJEGUBJHRFSK-VIFPVBQESA-N 0 1 278.739 2.997 20 10 CFCDMN CC(C)[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O ZINC000816505445 632473823 /nfs/dbraw/zinc/47/38/23/632473823.db2.gz WWYYAFLWVRGLMR-SECBINFHSA-N 0 1 275.751 2.776 20 10 CFCDMN [O-]c1c(C[NH2+]CCSCCCO)ccc2ccccc21 ZINC000816547888 632481368 /nfs/dbraw/zinc/48/13/68/632481368.db2.gz MUQHZIJJLUDOME-UHFFFAOYSA-N 0 1 291.416 2.751 20 10 CFCDMN CN1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816549714 632481983 /nfs/dbraw/zinc/48/19/83/632481983.db2.gz WOGGPSOPQGNFOM-SNVBAGLBSA-N 0 1 286.778 2.616 20 10 CFCDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](C)CO ZINC000816553497 632482672 /nfs/dbraw/zinc/48/26/72/632482672.db2.gz XKUCKGSJEXCHSH-VXGBXAGGSA-N 0 1 259.349 2.652 20 10 CFCDMN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816556479 632483773 /nfs/dbraw/zinc/48/37/73/632483773.db2.gz KLAWSXLJWCQZIP-FKIZINRSSA-N 0 1 291.416 2.792 20 10 CFCDMN C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816566946 632485983 /nfs/dbraw/zinc/48/59/83/632485983.db2.gz LYNTWHFNFISSPJ-VXGBXAGGSA-N 0 1 259.349 2.794 20 10 CFCDMN NC(=O)c1coc(CNCc2ccc3ccccc3c2O)c1 ZINC000816574802 632488189 /nfs/dbraw/zinc/48/81/89/632488189.db2.gz SEYQFPCFXAAEJG-UHFFFAOYSA-N 0 1 296.326 2.527 20 10 CFCDMN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816617454 632495920 /nfs/dbraw/zinc/49/59/20/632495920.db2.gz ZOOORIFSIPQKDX-GFCCVEGCSA-N 0 1 273.735 2.530 20 10 CFCDMN CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816617455 632496254 /nfs/dbraw/zinc/49/62/54/632496254.db2.gz ZOOORIFSIPQKDX-LBPRGKRZSA-N 0 1 273.735 2.530 20 10 CFCDMN CN(Cc1ccccc1O)C(=O)c1cc2[nH]cnc2cc1F ZINC000816889365 632531442 /nfs/dbraw/zinc/53/14/42/632531442.db2.gz VNQVFPKHQNNBQU-UHFFFAOYSA-N 0 1 299.305 2.680 20 10 CFCDMN C[C@@H](O)[C@@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000846019435 632616522 /nfs/dbraw/zinc/61/65/22/632616522.db2.gz ZHFPPQSCWXORBU-QLJPJBMISA-N 0 1 293.313 2.882 20 10 CFCDMN C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413591 632625495 /nfs/dbraw/zinc/62/54/95/632625495.db2.gz ZWWWXMNQZGBZOB-UONOGXRCSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413591 632625499 /nfs/dbraw/zinc/62/54/99/632625499.db2.gz ZWWWXMNQZGBZOB-UONOGXRCSA-N 0 1 285.387 2.996 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CCO)c(Cl)c1 ZINC000846111490 632634936 /nfs/dbraw/zinc/63/49/36/632634936.db2.gz QATOYGBKIZTSTM-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CCO)c(Cl)c1 ZINC000846111490 632634937 /nfs/dbraw/zinc/63/49/37/632634937.db2.gz QATOYGBKIZTSTM-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](F)C1 ZINC000846119779 632640550 /nfs/dbraw/zinc/64/05/50/632640550.db2.gz IQRNANLJERNDSU-CQSZACIVSA-N 0 1 250.361 2.995 20 10 CFCDMN COc1cccc([C@H](C)NCc2ncccc2F)c1O ZINC000846158288 632650072 /nfs/dbraw/zinc/65/00/72/632650072.db2.gz WISDCPHCPUNUEU-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817585227 632671143 /nfs/dbraw/zinc/67/11/43/632671143.db2.gz CTZOKKRTZFHVAC-SNVBAGLBSA-N 0 1 296.798 2.660 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846281395 632682203 /nfs/dbraw/zinc/68/22/03/632682203.db2.gz XKHCAFCYRUZGFH-BLLLJJGKSA-N 0 1 290.407 2.746 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846280615 632682884 /nfs/dbraw/zinc/68/28/84/632682884.db2.gz OBYTZDRRLCOVGF-CJNGLKHVSA-N 0 1 290.407 2.828 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881439 632717677 /nfs/dbraw/zinc/71/76/77/632717677.db2.gz SJWABOVLZAWCPN-KOLCDFICSA-N 0 1 283.755 2.731 20 10 CFCDMN CC[C@H](NCC[NH2+]C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951301 632751397 /nfs/dbraw/zinc/75/13/97/632751397.db2.gz DEDLSEAUSQYBJT-JTQLQIEISA-N 0 1 277.195 2.959 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Cl)c1[O-] ZINC000817964754 632762971 /nfs/dbraw/zinc/76/29/71/632762971.db2.gz GWDNPLNEKULLFL-STQMWFEESA-N 0 1 268.788 2.824 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1[O-] ZINC000817975793 632773767 /nfs/dbraw/zinc/77/37/67/632773767.db2.gz BVDZFBIHMUSRAF-GVXVVHGQSA-N 0 1 286.778 2.786 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000846707660 632778870 /nfs/dbraw/zinc/77/88/70/632778870.db2.gz XJFDVXQFQPGLLB-TVQRCGJNSA-N 0 1 296.798 2.560 20 10 CFCDMN N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000818431593 632843535 /nfs/dbraw/zinc/84/35/35/632843535.db2.gz PSSXFJRCIQQHIK-VXGBXAGGSA-N 0 1 272.751 2.544 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631061 632884843 /nfs/dbraw/zinc/88/48/43/632884843.db2.gz BHMYPODHXAJSBL-RNCFNFMXSA-N 0 1 283.755 2.731 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CCOCC2)c1[O-] ZINC000107064852 633046753 /nfs/dbraw/zinc/04/67/53/633046753.db2.gz OTBAZIUKQNECOX-UHFFFAOYSA-N 0 1 295.354 2.592 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060510 635920842 /nfs/dbraw/zinc/92/08/42/635920842.db2.gz APOJUPHTXXHOIV-RYUDHWBXSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060510 635920843 /nfs/dbraw/zinc/92/08/43/635920843.db2.gz APOJUPHTXXHOIV-RYUDHWBXSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060510 635920844 /nfs/dbraw/zinc/92/08/44/635920844.db2.gz APOJUPHTXXHOIV-RYUDHWBXSA-N 0 1 283.799 2.804 20 10 CFCDMN CCc1cccc(CN2CC[C@@H](C)C[C@H]2C(=O)OC)c1O ZINC000848904610 633390441 /nfs/dbraw/zinc/39/04/41/633390441.db2.gz YFZQRYHREDPKNF-DOMZBBRYSA-N 0 1 291.391 2.728 20 10 CFCDMN CCc1cccc(CN2CCC[C@H]2c2nc(C)no2)c1O ZINC000848910957 633394752 /nfs/dbraw/zinc/39/47/52/633394752.db2.gz PBLHGRVLWIXNBN-AWEZNQCLSA-N 0 1 287.363 2.983 20 10 CFCDMN CCOc1ccc(CN2CC3(CC3(F)F)C2)c(O)c1 ZINC000848922784 633404633 /nfs/dbraw/zinc/40/46/33/633404633.db2.gz ZDQZHVMFDPDNJM-UHFFFAOYSA-N 0 1 269.291 2.632 20 10 CFCDMN CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccccc1O ZINC000850499854 634019828 /nfs/dbraw/zinc/01/98/28/634019828.db2.gz ZCPHUSUMKBATGB-WCFLWFBJSA-N 0 1 272.352 2.730 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850572063 634056979 /nfs/dbraw/zinc/05/69/79/634056979.db2.gz GXUCGDFSLIRRBO-NEPJUHHUSA-N 0 1 259.353 2.846 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C)c2nccn2C)c(O)c1 ZINC000850572487 634057186 /nfs/dbraw/zinc/05/71/86/634057186.db2.gz KOXBCMHOKYLHSN-VXGBXAGGSA-N 0 1 259.353 2.846 20 10 CFCDMN CCC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109770346 634233279 /nfs/dbraw/zinc/23/32/79/634233279.db2.gz IMSYDEYVSSNCAM-CHWSQXEVSA-N 0 1 278.396 2.517 20 10 CFCDMN CCC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109770349 634233647 /nfs/dbraw/zinc/23/36/47/634233647.db2.gz IMSYDEYVSSNCAM-QWHCGFSZSA-N 0 1 278.396 2.517 20 10 CFCDMN CCn1nccc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000853094484 634902737 /nfs/dbraw/zinc/90/27/37/634902737.db2.gz ZFASFANSYOIPMX-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN CCn1nccc1CNCc1c(O)cc(C)cc1Cl ZINC000853094484 634902740 /nfs/dbraw/zinc/90/27/40/634902740.db2.gz ZFASFANSYOIPMX-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN COc1cc(CN2CCO[C@](C)(C3CC3)C2)c(O)cc1C ZINC000853527364 635028143 /nfs/dbraw/zinc/02/81/43/635028143.db2.gz AREPNXYQHUBHLR-KRWDZBQOSA-N 0 1 291.391 2.710 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853542840 635032823 /nfs/dbraw/zinc/03/28/23/635032823.db2.gz IZAXHVRDIGPFBH-HDICACEKSA-N 0 1 298.386 2.799 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853542840 635032830 /nfs/dbraw/zinc/03/28/30/635032830.db2.gz IZAXHVRDIGPFBH-HDICACEKSA-N 0 1 298.386 2.799 20 10 CFCDMN CCC(CC)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000111404260 635037921 /nfs/dbraw/zinc/03/79/21/635037921.db2.gz OKHJCWVCEJLUMG-CQSZACIVSA-N 0 1 271.788 2.932 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000854244282 635270576 /nfs/dbraw/zinc/27/05/76/635270576.db2.gz YAJQKXGEGKGSQE-UHFFFAOYSA-N 0 1 279.380 2.942 20 10 CFCDMN COc1ccc(O)c(CNCc2cccc(F)c2F)c1 ZINC000114506139 635836704 /nfs/dbraw/zinc/83/67/04/635836704.db2.gz XZVNBXSYJPYJDF-UHFFFAOYSA-N 0 1 279.286 2.969 20 10 CFCDMN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000857084173 635927407 /nfs/dbraw/zinc/92/74/07/635927407.db2.gz KCXLMCBTBYGGMQ-IUODEOHRSA-N 0 1 298.386 2.817 20 10 CFCDMN CCC1(CC)CN(Cc2cc(C)ccc2O)CC[S@@]1=O ZINC000187553206 650226552 /nfs/dbraw/zinc/22/65/52/650226552.db2.gz XDOCBKRWZRSGFL-FQEVSTJZSA-N 0 1 295.448 2.824 20 10 CFCDMN CN(C)c1cc(F)c(CNCCOCC2CC2)cc1F ZINC000858131841 636135728 /nfs/dbraw/zinc/13/57/28/636135728.db2.gz KDPXMLDJVGVXKZ-UHFFFAOYSA-N 0 1 284.350 2.547 20 10 CFCDMN C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000858597080 636304506 /nfs/dbraw/zinc/30/45/06/636304506.db2.gz KWZCEKIBKTYCCJ-SECBINFHSA-N 0 1 292.757 2.893 20 10 CFCDMN COC(=O)CN(Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000159775516 650277651 /nfs/dbraw/zinc/27/76/51/650277651.db2.gz GKYONEZHEXPRRS-UHFFFAOYSA-N 0 1 290.407 2.670 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000862387137 637349483 /nfs/dbraw/zinc/34/94/83/637349483.db2.gz HLZNZQBZZHDYPO-VIFPVBQESA-N 0 1 275.751 2.778 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000863738848 637765643 /nfs/dbraw/zinc/76/56/43/637765643.db2.gz FSUQRPXZAGLUFN-GXTWGEPZSA-N 0 1 277.364 2.552 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccnn1C ZINC000865839711 638604671 /nfs/dbraw/zinc/60/46/71/638604671.db2.gz QVWULSWUZORFDD-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000121028989 638801791 /nfs/dbraw/zinc/80/17/91/638801791.db2.gz QABCYIDCIXJLAF-UHFFFAOYSA-N 0 1 273.332 2.967 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CSC1 ZINC000868357858 638940146 /nfs/dbraw/zinc/94/01/46/638940146.db2.gz ITPKXZRYYGOXCI-UHFFFAOYSA-N 0 1 292.187 2.678 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnccn1 ZINC000122714524 639349915 /nfs/dbraw/zinc/34/99/15/639349915.db2.gz JIDOOFYXFVHXAY-CYBMUJFWSA-N 0 1 270.380 2.702 20 10 CFCDMN CCCOc1ccc(CNCc2cnn(C)c2)cc1C ZINC000873020377 641986098 /nfs/dbraw/zinc/98/60/98/641986098.db2.gz QHFGKUGITUMOOH-UHFFFAOYSA-N 0 1 273.380 2.807 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000086754828 650797474 /nfs/dbraw/zinc/79/74/74/650797474.db2.gz RBWWXNXMHXWCDD-MRXNPFEDSA-N 0 1 290.407 2.972 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc(F)c1F ZINC000876619325 642947916 /nfs/dbraw/zinc/94/79/16/642947916.db2.gz UICGNIZPBALMEP-JTQLQIEISA-N 0 1 293.317 2.773 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H](C3CC3)C2)ccc(F)c1F ZINC000876783190 643007024 /nfs/dbraw/zinc/00/70/24/643007024.db2.gz WFSHHZNPPDEDAT-JTQLQIEISA-N 0 1 253.292 2.902 20 10 CFCDMN Cc1cccc(O)c1C[N@@H+](C)CCc1nccs1 ZINC000876790516 643010191 /nfs/dbraw/zinc/01/01/91/643010191.db2.gz LKTHSINOSDOUPB-UHFFFAOYSA-N 0 1 262.378 2.832 20 10 CFCDMN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1[O-] ZINC000876801614 643014917 /nfs/dbraw/zinc/01/49/17/643014917.db2.gz GJGVKURMTHTUIY-OLZOCXBDSA-N 0 1 296.361 2.729 20 10 CFCDMN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC000876801614 643014921 /nfs/dbraw/zinc/01/49/21/643014921.db2.gz GJGVKURMTHTUIY-OLZOCXBDSA-N 0 1 296.361 2.729 20 10 CFCDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC000876801614 643014924 /nfs/dbraw/zinc/01/49/24/643014924.db2.gz GJGVKURMTHTUIY-OLZOCXBDSA-N 0 1 296.361 2.729 20 10 CFCDMN CCN(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877077324 643138289 /nfs/dbraw/zinc/13/82/89/643138289.db2.gz CUHCZPYASPZANQ-QGZVFWFLSA-N 0 1 297.402 2.925 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc(F)c1F ZINC000877189397 643196512 /nfs/dbraw/zinc/19/65/12/643196512.db2.gz OOOYSYYFSVUFGR-VIFPVBQESA-N 0 1 293.260 2.874 20 10 CFCDMN [O-]c1c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877555365 643356768 /nfs/dbraw/zinc/35/67/68/643356768.db2.gz UGMRJAQCDVDFQA-JKSUJKDBSA-N 0 1 295.329 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877555365 643356774 /nfs/dbraw/zinc/35/67/74/643356774.db2.gz UGMRJAQCDVDFQA-JKSUJKDBSA-N 0 1 295.329 2.814 20 10 CFCDMN CCc1nc(C[NH2+]Cc2ccc(F)c(F)c2[O-])co1 ZINC000877569984 643367407 /nfs/dbraw/zinc/36/74/07/643367407.db2.gz CBYAHLAXANXMHK-UHFFFAOYSA-N 0 1 268.263 2.511 20 10 CFCDMN CC1(O)CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000877581298 643377993 /nfs/dbraw/zinc/37/79/93/643377993.db2.gz VRDDUUUHRRTEET-UHFFFAOYSA-N 0 1 269.344 2.626 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc(F)c1F ZINC000877588399 643382877 /nfs/dbraw/zinc/38/28/77/643382877.db2.gz ZXZYSZAMBCSNFH-ZDUSSCGKSA-N 0 1 283.318 2.671 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc(F)c1F ZINC000877588399 643382885 /nfs/dbraw/zinc/38/28/85/643382885.db2.gz ZXZYSZAMBCSNFH-ZDUSSCGKSA-N 0 1 283.318 2.671 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877617426 643403601 /nfs/dbraw/zinc/40/36/01/643403601.db2.gz WBYMDMALXWJMLH-LBPRGKRZSA-N 0 1 275.245 2.902 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1Cl ZINC000877693346 643457731 /nfs/dbraw/zinc/45/77/31/643457731.db2.gz GDDKDCVJHCVUNS-CPCISQLKSA-N 0 1 297.704 2.755 20 10 CFCDMN Cc1ccc(CNCc2nn(C)cc2C(F)F)c(O)c1 ZINC000877733083 643493568 /nfs/dbraw/zinc/49/35/68/643493568.db2.gz OGEYSXVWQLPGCV-UHFFFAOYSA-N 0 1 281.306 2.662 20 10 CFCDMN C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000877739083 643503293 /nfs/dbraw/zinc/50/32/93/643503293.db2.gz FGDORQGFQASNKC-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@@H](NCc1cnn(C)c1Cl)c1ccccc1O ZINC000877755758 643535984 /nfs/dbraw/zinc/53/59/84/643535984.db2.gz LXXRKTMWMRAOHT-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN Cc1ccc2c(c1)N[C@H](c1ccc(F)c(F)c1O)NC2=O ZINC000877865815 643613400 /nfs/dbraw/zinc/61/34/00/643613400.db2.gz LETKGEFCHPOHDO-AWEZNQCLSA-N 0 1 290.269 2.833 20 10 CFCDMN C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000126828840 643673403 /nfs/dbraw/zinc/67/34/03/643673403.db2.gz BOCAMSCKMUULJC-BDAKNGLRSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@@H](NCc1cc(Cl)n(C)n1)c1ccccc1O ZINC000879650141 644364168 /nfs/dbraw/zinc/36/41/68/644364168.db2.gz LJPTXKFKKIWZIP-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1O ZINC000128393604 644681831 /nfs/dbraw/zinc/68/18/31/644681831.db2.gz UNUSFUOUHYVPET-UHFFFAOYSA-N 0 1 273.380 2.809 20 10 CFCDMN Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1O ZINC000128393604 644681837 /nfs/dbraw/zinc/68/18/37/644681837.db2.gz UNUSFUOUHYVPET-UHFFFAOYSA-N 0 1 273.380 2.809 20 10 CFCDMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000130739122 645562177 /nfs/dbraw/zinc/56/21/77/645562177.db2.gz FJQKXGXKZOLVIU-ZETCQYMHSA-N 0 1 264.152 2.512 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000131156326 645638989 /nfs/dbraw/zinc/63/89/89/645638989.db2.gz UXZZLOURBGITGN-WCQYABFASA-N 0 1 257.333 2.985 20 10 CFCDMN C[C@H](NCc1cn(C2CC2)cn1)c1ccccc1O ZINC000883226247 645675981 /nfs/dbraw/zinc/67/59/81/645675981.db2.gz UYKDMYNSFQYKLC-NSHDSACASA-N 0 1 257.337 2.774 20 10 CFCDMN CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000883356373 645762100 /nfs/dbraw/zinc/76/21/00/645762100.db2.gz MDTHZDURTAGBKJ-JQWIXIFHSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000883399112 645795295 /nfs/dbraw/zinc/79/52/95/645795295.db2.gz DUDHUOFURABEIV-NKWVEPMBSA-N 0 1 260.240 2.605 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000134937688 646411344 /nfs/dbraw/zinc/41/13/44/646411344.db2.gz IWUNEZDSXZSAGP-SCZZXKLOSA-N 0 1 286.169 2.594 20 10 CFCDMN COc1ccccc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000136486958 646840374 /nfs/dbraw/zinc/84/03/74/646840374.db2.gz GMHNPJDQBQFIQP-UHFFFAOYSA-N 0 1 293.344 2.510 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000886360342 646986940 /nfs/dbraw/zinc/98/69/40/646986940.db2.gz URXFILCHPBCWKD-SMDDNHRTSA-N 0 1 299.798 2.577 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000886670632 647101400 /nfs/dbraw/zinc/10/14/00/647101400.db2.gz STMWRRYPFLNOBT-UHTWSYAYSA-N 0 1 299.798 2.626 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2cnn(CCF)c2)cc1 ZINC000929224158 649007366 /nfs/dbraw/zinc/00/73/66/649007366.db2.gz CGSGLPZWXKHYCJ-UHFFFAOYSA-N 0 1 290.386 2.551 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1CO ZINC000113327168 651192331 /nfs/dbraw/zinc/19/23/31/651192331.db2.gz BVABNVDNXPRQGL-UHFFFAOYSA-N 0 1 277.751 2.828 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485167 770721051 /nfs/dbraw/zinc/72/10/51/770721051.db2.gz RSISGEGPUXGISE-ZJUUUORDSA-N 0 1 283.755 2.588 20 10 CFCDMN Cc1cc(Br)cc(CN2CC=CC2)c1O ZINC001233106839 777797553 /nfs/dbraw/zinc/79/75/53/777797553.db2.gz QPKHOROHHHKCAT-UHFFFAOYSA-N 0 1 268.154 2.835 20 10 CFCDMN CCCC[C@H]1CN(Cc2c([O-])ccc(F)c2F)CC[NH2+]1 ZINC001236143219 778715240 /nfs/dbraw/zinc/71/52/40/778715240.db2.gz UKXKZAWYLUKSFY-NSHDSACASA-N 0 1 284.350 2.634 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808126 779719420 /nfs/dbraw/zinc/71/94/20/779719420.db2.gz REMSUOGVGHTXGW-KWQFWETISA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001237807548 779719716 /nfs/dbraw/zinc/71/97/16/779719716.db2.gz LONLGTRAKDUIID-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1c(CN(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001204572829 770651160 /nfs/dbraw/zinc/65/11/60/770651160.db2.gz VICHIGYIJMVPSI-UHFFFAOYSA-N 0 1 298.434 2.961 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](CC)CO1 ZINC000403777997 770884749 /nfs/dbraw/zinc/88/47/49/770884749.db2.gz ACMFCYZDEIFTJC-UONOGXRCSA-N 0 1 267.344 2.921 20 10 CFCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])cc(F)cc3F)CC[C@H]2O1 ZINC001140580794 770957517 /nfs/dbraw/zinc/95/75/17/770957517.db2.gz FXIYKNDLIDSJTK-AMJWSMQMSA-N 0 1 283.318 2.670 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140583052 770960328 /nfs/dbraw/zinc/96/03/28/770960328.db2.gz VCOGWQITCSBFTH-SECBINFHSA-N 0 1 259.271 2.994 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140583052 770960323 /nfs/dbraw/zinc/96/03/23/770960323.db2.gz VCOGWQITCSBFTH-SECBINFHSA-N 0 1 259.271 2.994 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000294030713 775733792 /nfs/dbraw/zinc/73/37/92/775733792.db2.gz OFDNHIGFRKSDFB-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000328263529 775737100 /nfs/dbraw/zinc/73/71/00/775737100.db2.gz LVAVEYONNMIDPT-HZMBPMFUSA-N 0 1 269.772 2.686 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222359907 776099954 /nfs/dbraw/zinc/09/99/54/776099954.db2.gz BJORJJZOMDVGJI-HNNXBMFYSA-N 0 1 298.789 2.903 20 10 CFCDMN CN1CC(OC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)C1 ZINC001227485923 776213405 /nfs/dbraw/zinc/21/34/05/776213405.db2.gz DTEYQQSYBWVXDK-ISLYRVAYSA-N 0 1 284.319 2.895 20 10 CFCDMN C[N@H+](Cc1ccccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139685780 776618220 /nfs/dbraw/zinc/61/82/20/776618220.db2.gz XBVVODZKJDZTAI-UHFFFAOYSA-N 0 1 264.275 2.697 20 10 CFCDMN C[N@@H+](Cc1ccccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139685780 776618225 /nfs/dbraw/zinc/61/82/25/776618225.db2.gz XBVVODZKJDZTAI-UHFFFAOYSA-N 0 1 264.275 2.697 20 10 CFCDMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001231449964 777221342 /nfs/dbraw/zinc/22/13/42/777221342.db2.gz OXHUIEIGODVBSR-TXEJJXNPSA-N 0 1 297.301 2.568 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001231448770 777221832 /nfs/dbraw/zinc/22/18/32/777221832.db2.gz BBQGDYHHYJMATP-AAEUAGOBSA-N 0 1 275.348 2.712 20 10 CFCDMN O=C([O-])c1ccc(C[N@@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC001231452711 777223112 /nfs/dbraw/zinc/22/31/12/777223112.db2.gz SGFFGLZVZQYQFZ-UHFFFAOYSA-N 0 1 287.290 2.745 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2Cc3cccc(F)c3C2)c(O)c1 ZINC001231452711 777223119 /nfs/dbraw/zinc/22/31/19/777223119.db2.gz SGFFGLZVZQYQFZ-UHFFFAOYSA-N 0 1 287.290 2.745 20 10 CFCDMN COc1ccc(Br)c(CN(C)C2CC2)c1O ZINC001231548225 777258254 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ZINC000708412517 781273171 /nfs/dbraw/zinc/27/31/71/781273171.db2.gz ICXLUSVDPBJMCM-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN C[N@H+]1CCN(Cc2cc(F)cc(F)c2[O-])CCC1(C)C ZINC000708414339 781273664 /nfs/dbraw/zinc/27/36/64/781273664.db2.gz RARPDQHUHLIICQ-UHFFFAOYSA-N 0 1 284.350 2.587 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000709027535 781288046 /nfs/dbraw/zinc/28/80/46/781288046.db2.gz LUWAVRRSCHUEOP-OAHLLOKOSA-N 0 1 279.380 2.648 20 10 CFCDMN CC(C)N1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708557839 781294230 /nfs/dbraw/zinc/29/42/30/781294230.db2.gz CFQHLDTZWASBQM-UHFFFAOYSA-N 0 1 284.350 2.633 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711471083 781438082 /nfs/dbraw/zinc/43/80/82/781438082.db2.gz QFDHLWNKPAVUJU-SNVBAGLBSA-N 0 1 269.291 2.525 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711471083 781438088 /nfs/dbraw/zinc/43/80/88/781438088.db2.gz QFDHLWNKPAVUJU-SNVBAGLBSA-N 0 1 269.291 2.525 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](CF)C2)c1O ZINC000711471083 781438095 /nfs/dbraw/zinc/43/80/95/781438095.db2.gz QFDHLWNKPAVUJU-SNVBAGLBSA-N 0 1 269.291 2.525 20 10 CFCDMN COC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000711863566 781480497 /nfs/dbraw/zinc/48/04/97/781480497.db2.gz QXTMWOPHCSRKCR-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn[nH]1 ZINC000049612741 346483906 /nfs/dbraw/zinc/48/39/06/346483906.db2.gz GUIKDSJAXHRAIE-UHFFFAOYSA-N 0 1 298.390 2.672 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(F)c(F)c1[O-] ZINC000377407381 299395975 /nfs/dbraw/zinc/39/59/75/299395975.db2.gz AEUXALAQVLTPHT-DTWKUNHWSA-N 0 1 293.317 2.602 20 10 CFCDMN CCOc1cccc(CN2C[C@@H](CC)O[C@@H](C)C2)c1O ZINC000092487133 375116365 /nfs/dbraw/zinc/11/63/65/375116365.db2.gz GCWJQSASGNQIPW-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN COC(=O)[C@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000093440995 375238047 /nfs/dbraw/zinc/23/80/47/375238047.db2.gz PEVUKBFMUXLZQP-CQSZACIVSA-N 0 1 277.364 2.537 20 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DXOUAJNQSYEYFB-CQSZACIVSA-N 0 1 284.403 2.929 20 10 CFCDMN CN(C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000153147545 378476541 /nfs/dbraw/zinc/47/65/41/378476541.db2.gz DXOUAJNQSYEYFB-CQSZACIVSA-N 0 1 284.403 2.929 20 10 CFCDMN Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155183381 378614751 /nfs/dbraw/zinc/61/47/51/378614751.db2.gz VHIGLURUVWAWLK-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000155183381 378614756 /nfs/dbraw/zinc/61/47/56/378614756.db2.gz VHIGLURUVWAWLK-UHFFFAOYSA-N 0 1 272.396 2.725 20 10 CFCDMN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163759489 378989477 /nfs/dbraw/zinc/98/94/77/378989477.db2.gz AVYSEONDUQSFRO-RKDXNWHRSA-N 0 1 270.170 2.900 20 10 CFCDMN CCN(Cc1cncn1C)Cc1ccc(N(C)C)cc1 ZINC000175582532 380092028 /nfs/dbraw/zinc/09/20/28/380092028.db2.gz AMZVMACKFIGEJU-UHFFFAOYSA-N 0 1 272.396 2.508 20 10 CFCDMN COC[C@@H](NCc1ccccc1O)c1ccc(C)o1 ZINC000177566161 380355125 /nfs/dbraw/zinc/35/51/25/380355125.db2.gz BTRMCBCAKWYVKX-CYBMUJFWSA-N 0 1 261.321 2.771 20 10 CFCDMN COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000179568554 380559011 /nfs/dbraw/zinc/55/90/11/380559011.db2.gz FUEGBAUDALIMID-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2ccc(C)o2)c1 ZINC000179568554 380559013 /nfs/dbraw/zinc/55/90/13/380559013.db2.gz FUEGBAUDALIMID-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN COc1cc(O)c(C[N@@H+](C)Cc2ccc(C)o2)cc1OC ZINC000179568497 380559414 /nfs/dbraw/zinc/55/94/14/380559414.db2.gz FKDQYWWTWXXGPV-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN COc1cc(O)c(CN(C)Cc2ccc(C)o2)cc1OC ZINC000179568497 380559418 /nfs/dbraw/zinc/55/94/18/380559418.db2.gz FKDQYWWTWXXGPV-UHFFFAOYSA-N 0 1 291.347 2.943 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179667516 380570387 /nfs/dbraw/zinc/57/03/87/380570387.db2.gz GVHMDHXOJBPCQI-FOSCPWQOSA-N 0 1 267.756 2.533 20 10 CFCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179843942 380585552 /nfs/dbraw/zinc/58/55/52/380585552.db2.gz PQOLHFBTNSWFLV-GFCCVEGCSA-N 0 1 297.782 2.821 20 10 CFCDMN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180257425 380640560 /nfs/dbraw/zinc/64/05/60/380640560.db2.gz FCGKNKLAHATLMR-ZJUUUORDSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180257425 380640562 /nfs/dbraw/zinc/64/05/62/380640562.db2.gz FCGKNKLAHATLMR-ZJUUUORDSA-N 0 1 255.745 2.655 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CCC[N@H+](C2CC2)CC1 ZINC000179923869 380597526 /nfs/dbraw/zinc/59/75/26/380597526.db2.gz CWKXRZTVIXYIHT-UHFFFAOYSA-N 0 1 280.799 2.716 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000179923869 380597532 /nfs/dbraw/zinc/59/75/32/380597532.db2.gz CWKXRZTVIXYIHT-UHFFFAOYSA-N 0 1 280.799 2.716 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(C2CC2)CC1 ZINC000179923869 380597534 /nfs/dbraw/zinc/59/75/34/380597534.db2.gz CWKXRZTVIXYIHT-UHFFFAOYSA-N 0 1 280.799 2.716 20 10 CFCDMN COc1ccc(CN(C)Cc2cc(F)ccc2O)cc1O ZINC000179974035 380605716 /nfs/dbraw/zinc/60/57/16/380605716.db2.gz DVTMPSUWYFXNIV-UHFFFAOYSA-N 0 1 291.322 2.878 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000180668960 380688224 /nfs/dbraw/zinc/68/82/24/380688224.db2.gz QDLUQZZOBXVUNI-OAHLLOKOSA-N 0 1 281.421 2.974 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccn2)c1[O-] ZINC000181795317 380896448 /nfs/dbraw/zinc/89/64/48/380896448.db2.gz TYZQRLAAVQKADL-SNVBAGLBSA-N 0 1 288.322 2.980 20 10 CFCDMN CC(=O)c1cc(F)cc(CN[C@H](C)c2ccccn2)c1O ZINC000181795317 380896461 /nfs/dbraw/zinc/89/64/61/380896461.db2.gz TYZQRLAAVQKADL-SNVBAGLBSA-N 0 1 288.322 2.980 20 10 CFCDMN COCCN(Cc1cccnc1)Cc1cccc(C)c1O ZINC000289179823 381026550 /nfs/dbraw/zinc/02/65/50/381026550.db2.gz AILZSROHCMMBPF-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 CFCDMN CN(C)CC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295933674 381166560 /nfs/dbraw/zinc/16/65/60/381166560.db2.gz KNORESVRSQRWHF-ZDUSSCGKSA-N 0 1 262.397 2.557 20 10 CFCDMN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000296345346 381355039 /nfs/dbraw/zinc/35/50/39/381355039.db2.gz IBDMYBXTWJKWLV-QWRGUYRKSA-N 0 1 255.333 2.591 20 10 CFCDMN COc1cc(Cl)cc(CN2CCSC[C@H]2C)c1O ZINC000184693897 381462828 /nfs/dbraw/zinc/46/28/28/381462828.db2.gz XCGZXFSBPHLCOD-SECBINFHSA-N 0 1 287.812 2.992 20 10 CFCDMN CN(Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1O ZINC000371403797 381616615 /nfs/dbraw/zinc/61/66/15/381616615.db2.gz CEPFBWGIJQQSQI-UHFFFAOYSA-N 0 1 294.358 2.809 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000371412895 381618818 /nfs/dbraw/zinc/61/88/18/381618818.db2.gz YMKGCISFHHINHC-JKSUJKDBSA-N 0 1 260.381 2.506 20 10 CFCDMN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185389267 381620416 /nfs/dbraw/zinc/62/04/16/381620416.db2.gz AFWOJCRCGBIPEV-TVQRCGJNSA-N 0 1 257.761 2.857 20 10 CFCDMN CN1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000359909366 381672078 /nfs/dbraw/zinc/67/20/78/381672078.db2.gz YXXNKVGQUCWZQB-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000186130833 381829636 /nfs/dbraw/zinc/82/96/36/381829636.db2.gz RNCSSNCAFZBBHR-PWSUYJOCSA-N 0 1 289.379 2.714 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCC[C@@H]1c1ncon1 ZINC000362046195 381884745 /nfs/dbraw/zinc/88/47/45/381884745.db2.gz NMFLNHZVEBCTKG-LLVKDONJSA-N 0 1 279.727 2.766 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000186554186 381946360 /nfs/dbraw/zinc/94/63/60/381946360.db2.gz HKJMBZVZLGHIII-FZMZJTMJSA-N 0 1 291.347 2.768 20 10 CFCDMN COc1cccc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1O ZINC000376029674 382117481 /nfs/dbraw/zinc/11/74/81/382117481.db2.gz PKUDYPRBSZJTIN-KRWDZBQOSA-N 0 1 291.391 2.936 20 10 CFCDMN CCc1nocc1CN(C)Cc1cccc(C)c1O ZINC000293557885 382173927 /nfs/dbraw/zinc/17/39/27/382173927.db2.gz FROKHDLKBQGVTD-UHFFFAOYSA-N 0 1 260.337 2.883 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1C ZINC000293796878 382283433 /nfs/dbraw/zinc/28/34/33/382283433.db2.gz CYJVYTVTQDBWTQ-MRXNPFEDSA-N 0 1 275.392 2.888 20 10 CFCDMN CC[C@H](c1ccccc1O)N1CCC[C@@H]1c1nncn1C ZINC000377694999 382323433 /nfs/dbraw/zinc/32/34/33/382323433.db2.gz LKIDOLYSFLEZTL-ZIAGYGMSSA-N 0 1 286.379 2.809 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000293998767 382372936 /nfs/dbraw/zinc/37/29/36/382372936.db2.gz SOQCWMXYTLZEEO-MRXNPFEDSA-N 0 1 291.391 2.670 20 10 CFCDMN COCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000366473171 382515331 /nfs/dbraw/zinc/51/53/31/382515331.db2.gz MMLHLGDVTPZBIS-UHFFFAOYSA-N 0 1 299.798 2.578 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274051 382605513 /nfs/dbraw/zinc/60/55/13/382605513.db2.gz HWOJMMUSYAMPOM-ONGXEEELSA-N 0 1 287.762 2.920 20 10 CFCDMN COc1cccc(CNCc2ccc3c(c2)CCCN3C)n1 ZINC000190908000 382684501 /nfs/dbraw/zinc/68/45/01/382684501.db2.gz LWMNNPAKXYSWNJ-UHFFFAOYSA-N 0 1 297.402 2.762 20 10 CFCDMN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCCO1 ZINC000281204089 385186980 /nfs/dbraw/zinc/18/69/80/385186980.db2.gz AREHTRXNSBTUBM-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CCN(CC)c1ccc(CN2CCC[C@@H](O)C2)cc1F ZINC000271017651 385303877 /nfs/dbraw/zinc/30/38/77/385303877.db2.gz RTMMQKJRFMBQIJ-CQSZACIVSA-N 0 1 280.387 2.629 20 10 CFCDMN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)OC ZINC000282417450 385305363 /nfs/dbraw/zinc/30/53/63/385305363.db2.gz JAJZSZDQVCZWNJ-LBPRGKRZSA-N 0 1 265.353 2.556 20 10 CFCDMN CCCN(Cc1ccn(C)n1)Cc1ccccc1O ZINC000271207909 385375964 /nfs/dbraw/zinc/37/59/64/385375964.db2.gz SWKSHGWCAFWDJR-UHFFFAOYSA-N 0 1 259.353 2.538 20 10 CFCDMN COCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000282939456 385413377 /nfs/dbraw/zinc/41/33/77/385413377.db2.gz YTTOSAKUKDKJMC-LLVKDONJSA-N 0 1 267.344 2.999 20 10 CFCDMN CC[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccccc1O ZINC000273283170 385675119 /nfs/dbraw/zinc/67/51/19/385675119.db2.gz JICJMXAGKMGEPG-GFCCVEGCSA-N 0 1 272.352 2.629 20 10 CFCDMN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273553524 385687302 /nfs/dbraw/zinc/68/73/02/385687302.db2.gz GLCUGFVWNBXRKB-OLZOCXBDSA-N 0 1 296.374 2.876 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273609236 385691414 /nfs/dbraw/zinc/69/14/14/385691414.db2.gz VHHMTNOTXYMUMZ-ZJUUUORDSA-N 0 1 257.761 2.715 20 10 CFCDMN CN(C)c1ccc(C2=CCN(CCOCC(F)F)C2)cc1 ZINC000373725563 393469379 /nfs/dbraw/zinc/46/93/79/393469379.db2.gz GNACCKJXMYJPOR-UHFFFAOYSA-N 0 1 296.361 2.733 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000107064790 393868980 /nfs/dbraw/zinc/86/89/80/393868980.db2.gz USKJBZJBZWCRQE-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN CN(CC(=O)NCC1CCCCC1)Cc1ccccc1O ZINC000109768975 393879721 /nfs/dbraw/zinc/87/97/21/393879721.db2.gz HGDZRUCNIDXLQQ-UHFFFAOYSA-N 0 1 290.407 2.521 20 10 CFCDMN CCCCCNC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770335 393879789 /nfs/dbraw/zinc/87/97/89/393879789.db2.gz RLARRLUMAUSPRQ-ZDUSSCGKSA-N 0 1 278.396 2.519 20 10 CFCDMN CC(C)NC(=O)CN(C)Cc1c(O)ccc2ccccc21 ZINC000008184024 170322970 /nfs/dbraw/zinc/32/29/70/170322970.db2.gz WGXTYJNLOXWAGX-UHFFFAOYSA-N 0 1 286.375 2.502 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccco1 ZINC000035661641 172339769 /nfs/dbraw/zinc/33/97/69/172339769.db2.gz SDUWZWNYAIQAGW-UHFFFAOYSA-N 0 1 251.713 2.971 20 10 CFCDMN Cc1c2ccccc2n(C)c1C[NH+]=c1[n-]nc2ccccn21 ZINC000352540892 227047713 /nfs/dbraw/zinc/04/77/13/227047713.db2.gz QZWKPLRDLLUKHF-UHFFFAOYSA-N 0 1 291.358 2.563 20 10 CFCDMN C[N@H+]1CC[C@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000293791170 277185942 /nfs/dbraw/zinc/18/59/42/277185942.db2.gz CMKWVTMWOUGUGR-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134923068 278234986 /nfs/dbraw/zinc/23/49/86/278234986.db2.gz NWFCHSLHDUNHEJ-IUCAKERBSA-N 0 1 288.185 2.576 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCSC2)c1[O-] ZINC000050133423 518284991 /nfs/dbraw/zinc/28/49/91/518284991.db2.gz ZFKDIFOQMXQOOU-LBPRGKRZSA-N 0 1 283.368 2.671 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCSC2)c1[O-] ZINC000050133423 518284998 /nfs/dbraw/zinc/28/49/98/518284998.db2.gz ZFKDIFOQMXQOOU-LBPRGKRZSA-N 0 1 283.368 2.671 20 10 CFCDMN CC(C)[N@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271859349 519674449 /nfs/dbraw/zinc/67/44/49/519674449.db2.gz YJCXLXDPGDDBTO-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000292981442 518279818 /nfs/dbraw/zinc/27/98/18/518279818.db2.gz BISOMVIRRUGHCR-ZDUSSCGKSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000292981442 518279821 /nfs/dbraw/zinc/27/98/21/518279821.db2.gz BISOMVIRRUGHCR-ZDUSSCGKSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(C)(C)C[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000227372938 518682424 /nfs/dbraw/zinc/68/24/24/518682424.db2.gz YYFNVSVQQQBKAE-SNVBAGLBSA-N 0 1 271.788 2.932 20 10 CFCDMN CCN(C)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000264056603 520271512 /nfs/dbraw/zinc/27/15/12/520271512.db2.gz VGRNJJGIOPSQAR-QGZVFWFLSA-N 0 1 298.386 2.701 20 10 CFCDMN CCCCOCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083552283 520783383 /nfs/dbraw/zinc/78/33/83/520783383.db2.gz JHDSYFNMCCOXBJ-UHFFFAOYSA-N 0 1 257.761 2.952 20 10 CFCDMN CCOc1cccc(CNCc2nccs2)c1O ZINC000041011724 521368611 /nfs/dbraw/zinc/36/86/11/521368611.db2.gz DIYCTYAXLMGMNI-UHFFFAOYSA-N 0 1 264.350 2.537 20 10 CFCDMN CCN(Cc1ccnn1CC)Cc1ccc(N(C)C)cc1 ZINC000156842437 521425899 /nfs/dbraw/zinc/42/58/99/521425899.db2.gz KMDICTRWNJFRPH-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000036795068 521745619 /nfs/dbraw/zinc/74/56/19/521745619.db2.gz FCCMOXXCXDIUCN-NEPJUHHUSA-N 0 1 286.375 2.721 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278171122 521865036 /nfs/dbraw/zinc/86/50/36/521865036.db2.gz FTTANOIYNJMFIR-UHFFFAOYSA-N 0 1 282.340 2.787 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278136671 521866815 /nfs/dbraw/zinc/86/68/15/521866815.db2.gz AEOPPJPQZDCCHE-UHFFFAOYSA-N 0 1 280.324 2.683 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278284292 521874954 /nfs/dbraw/zinc/87/49/54/521874954.db2.gz UDYROEFNIPYDDO-PHIMTYICSA-N 0 1 292.335 2.541 20 10 CFCDMN COc1c([O-])c(C[NH2+]Cc2occc2C)ccc1[N+](=O)[O-] ZINC000292706030 521878328 /nfs/dbraw/zinc/87/83/28/521878328.db2.gz CWPLSRCBOTZOAH-UHFFFAOYSA-N 0 1 292.291 2.500 20 10 CFCDMN CN(C)c1ccc(CNCc2cn(C)nc2C(F)F)cc1 ZINC000291203223 522210324 /nfs/dbraw/zinc/21/03/24/522210324.db2.gz NGMXHLKGMACQBR-UHFFFAOYSA-N 0 1 294.349 2.714 20 10 CFCDMN CC[C@H](NCc1nncn1CC)c1ccc(C)cc1O ZINC000280060238 522674971 /nfs/dbraw/zinc/67/49/71/522674971.db2.gz KFLODCGWCOVIJL-ZDUSSCGKSA-N 0 1 274.368 2.553 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc(Cl)c1[O-] ZINC000287863273 522703268 /nfs/dbraw/zinc/70/32/68/522703268.db2.gz XMFDGPVFMXWMFS-CABZTGNLSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@H](N[C@@H](C)c1ncn(C)n1)c1cccc(Cl)c1O ZINC000287863273 522703282 /nfs/dbraw/zinc/70/32/82/522703282.db2.gz XMFDGPVFMXWMFS-CABZTGNLSA-N 0 1 294.786 2.976 20 10 CFCDMN COCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCOCC1 ZINC000291654595 522898622 /nfs/dbraw/zinc/89/86/22/522898622.db2.gz DDFAMGMUMDWKHW-UHFFFAOYSA-N 0 1 299.798 2.578 20 10 CFCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000293070119 523949674 /nfs/dbraw/zinc/94/96/74/523949674.db2.gz SWDDEAGGEYJZPC-CYBMUJFWSA-N 0 1 255.745 2.560 20 10 CFCDMN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000290165273 524010446 /nfs/dbraw/zinc/01/04/46/524010446.db2.gz MGQAOCFXEBYNGJ-UVBJJODRSA-N 0 1 287.359 2.610 20 10 CFCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C[C@H](C)O ZINC000123477258 524739589 /nfs/dbraw/zinc/73/95/89/524739589.db2.gz HDQYGFPDJMIJMZ-ZJUUUORDSA-N 0 1 257.761 2.542 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(F)ccc1[O-] ZINC000230666440 525415087 /nfs/dbraw/zinc/41/50/87/525415087.db2.gz JGTHXELKFFHLKC-LLVKDONJSA-N 0 1 269.360 2.981 20 10 CFCDMN C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000290002292 525468898 /nfs/dbraw/zinc/46/88/98/525468898.db2.gz ZEBUTLZKBPYAJN-SECBINFHSA-N 0 1 265.744 2.662 20 10 CFCDMN C[C@@H](NCc1cnnn1C)c1ccc(N2CCCCC2)cc1 ZINC000287326953 525554545 /nfs/dbraw/zinc/55/45/45/525554545.db2.gz MBQKAWAZSDYVJX-CQSZACIVSA-N 0 1 299.422 2.656 20 10 CFCDMN C[C@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000085982614 525728844 /nfs/dbraw/zinc/72/88/44/525728844.db2.gz IKJZSEWBPHEIDZ-RYUDHWBXSA-N 0 1 259.349 2.967 20 10 CFCDMN C[C@@H](Nc1ncnc2[nH]cnc21)c1ccc(N(C)C)cc1 ZINC000302349878 525734076 /nfs/dbraw/zinc/73/40/76/525734076.db2.gz CZFIXUQFSOYKMS-SNVBAGLBSA-N 0 1 282.351 2.592 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366696859 526330126 /nfs/dbraw/zinc/33/01/26/526330126.db2.gz PRFDQRLGKREQEA-BXUZGUMPSA-N 0 1 265.328 2.532 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCOC2(CCC2)C1 ZINC000191397049 526344130 /nfs/dbraw/zinc/34/41/30/526344130.db2.gz QBMKMYMRVOILGI-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230313745 526347051 /nfs/dbraw/zinc/34/70/51/526347051.db2.gz LLHZYUQADFPBSK-JSGCOSHPSA-N 0 1 267.756 2.703 20 10 CFCDMN Cc1csc(CNCc2cc(F)ccc2O)n1 ZINC000226584063 526357569 /nfs/dbraw/zinc/35/75/69/526357569.db2.gz XHNFJAUWUVEAHL-UHFFFAOYSA-N 0 1 252.314 2.586 20 10 CFCDMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000364841377 527597239 /nfs/dbraw/zinc/59/72/39/527597239.db2.gz GSAWFODYNBBJOV-WBVHZDCISA-N 0 1 292.398 2.582 20 10 CFCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000754425938 574103117 /nfs/dbraw/zinc/10/31/17/574103117.db2.gz NPBYQRUPQSWSBM-YUMQZZPRSA-N 0 1 294.380 2.576 20 10 CFCDMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737486320 574144140 /nfs/dbraw/zinc/14/41/40/574144140.db2.gz HQTMVRZJAUSWFH-UHFFFAOYSA-N 0 1 271.316 2.722 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000738158145 574159179 /nfs/dbraw/zinc/15/91/79/574159179.db2.gz KQCHODIWSIVBLQ-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000738158145 574159181 /nfs/dbraw/zinc/15/91/81/574159181.db2.gz KQCHODIWSIVBLQ-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN COC(=O)C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000733328262 574221703 /nfs/dbraw/zinc/22/17/03/574221703.db2.gz NMDMTFZFKDNDBV-UHFFFAOYSA-N 0 1 297.782 2.867 20 10 CFCDMN O=C1CCCCN1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733328153 574221794 /nfs/dbraw/zinc/22/17/94/574221794.db2.gz IYRDAWNNZZSWGT-UHFFFAOYSA-N 0 1 296.798 2.538 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)c(O)c1 ZINC000756381046 574231452 /nfs/dbraw/zinc/23/14/52/574231452.db2.gz IWTWFQBGTCIXAD-LRDDRELGSA-N 0 1 284.359 2.578 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000756531985 574244329 /nfs/dbraw/zinc/24/43/29/574244329.db2.gz CEBVPJZBDBDMEJ-ONGXEEELSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc2ccccc2c1[O-] ZINC000756639343 574254743 /nfs/dbraw/zinc/25/47/43/574254743.db2.gz XDRWKGSDCQEDMC-LRDDRELGSA-N 0 1 298.386 2.817 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000756820518 574265159 /nfs/dbraw/zinc/26/51/59/574265159.db2.gz XOQIEXHQQJWPLY-DTWKUNHWSA-N 0 1 257.761 2.856 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000756860144 574269487 /nfs/dbraw/zinc/26/94/87/574269487.db2.gz JKDZCUZZOKTTCC-KRWDZBQOSA-N 0 1 284.359 2.553 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000756860144 574269491 /nfs/dbraw/zinc/26/94/91/574269491.db2.gz JKDZCUZZOKTTCC-KRWDZBQOSA-N 0 1 284.359 2.553 20 10 CFCDMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128816545 598151134 /nfs/dbraw/zinc/15/11/34/598151134.db2.gz RESTXYDRPSBQGF-JTQLQIEISA-N 0 1 283.755 2.732 20 10 CFCDMN CCCN(CCC)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000108245334 604538555 /nfs/dbraw/zinc/53/85/55/604538555.db2.gz SBWIYDPHIWDXAY-UHFFFAOYSA-N 0 1 278.396 2.829 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000833663545 604663884 /nfs/dbraw/zinc/66/38/84/604663884.db2.gz WWUSEVHRDGWAKV-UHFFFAOYSA-N 0 1 293.363 2.620 20 10 CFCDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000086791056 604981293 /nfs/dbraw/zinc/98/12/93/604981293.db2.gz IQDNYAVHDXUYPZ-ZDUSSCGKSA-N 0 1 285.343 2.985 20 10 CFCDMN CC(C)(C)OCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000308745411 617827090 /nfs/dbraw/zinc/82/70/90/617827090.db2.gz RADYIEPDKSCJIN-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000040774058 618002094 /nfs/dbraw/zinc/00/20/94/618002094.db2.gz UIJSCCYXTFMQTM-GFCCVEGCSA-N 0 1 257.761 2.542 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)(C)O ZINC000081747357 618009054 /nfs/dbraw/zinc/00/90/54/618009054.db2.gz NQRGOYFYBIHHPA-UHFFFAOYSA-N 0 1 299.798 2.841 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)(C)O ZINC000081747357 618009059 /nfs/dbraw/zinc/00/90/59/618009059.db2.gz NQRGOYFYBIHHPA-UHFFFAOYSA-N 0 1 299.798 2.841 20 10 CFCDMN COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000891449187 618214038 /nfs/dbraw/zinc/21/40/38/618214038.db2.gz NUFXXLVVPHQMQU-TXEJJXNPSA-N 0 1 279.380 2.887 20 10 CFCDMN C[C@@H]([NH2+]Cc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000289995674 618232266 /nfs/dbraw/zinc/23/22/66/618232266.db2.gz YUHAJTMTVZDNJY-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000893966910 618254438 /nfs/dbraw/zinc/25/44/38/618254438.db2.gz UNGLHTFSAOXPLW-SNVBAGLBSA-N 0 1 293.317 2.773 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)S1 ZINC000893977856 618258644 /nfs/dbraw/zinc/25/86/44/618258644.db2.gz KVOGTZRATAFUEO-DTORHVGOSA-N 0 1 273.348 2.996 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894050601 618291077 /nfs/dbraw/zinc/29/10/77/618291077.db2.gz QYPCFEYKVXNIKZ-IAQYHMDHSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894050601 618291079 /nfs/dbraw/zinc/29/10/79/618291079.db2.gz QYPCFEYKVXNIKZ-IAQYHMDHSA-N 0 1 298.377 2.833 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000894088991 618317241 /nfs/dbraw/zinc/31/72/41/618317241.db2.gz NPURFAAANYOGBR-YGRLFVJLSA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCNC(=O)C(C)C)c(Cl)c1 ZINC000840905573 618369540 /nfs/dbraw/zinc/36/95/40/618369540.db2.gz AHDNARWMKANTMO-UHFFFAOYSA-N 0 1 298.814 2.606 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000895155862 618403506 /nfs/dbraw/zinc/40/35/06/618403506.db2.gz PRZFCMVKJROSAY-QZPUYBJASA-N 0 1 293.794 2.949 20 10 CFCDMN COc1cc(C)cc(CN2CC3(CC3(F)F)C2)c1O ZINC000895182093 618444876 /nfs/dbraw/zinc/44/48/76/618444876.db2.gz AFDSWFIVUBCEFF-UHFFFAOYSA-N 0 1 269.291 2.550 20 10 CFCDMN CC1(C)C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877752672 618461821 /nfs/dbraw/zinc/46/18/21/618461821.db2.gz HIIPREGMWDMDQC-LBPRGKRZSA-N 0 1 269.772 2.638 20 10 CFCDMN CC1(C)C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877752672 618461826 /nfs/dbraw/zinc/46/18/26/618461826.db2.gz HIIPREGMWDMDQC-LBPRGKRZSA-N 0 1 269.772 2.638 20 10 CFCDMN Oc1cccc2c1CCN(Cc1cc(F)cc(F)c1O)C2 ZINC000895403902 618575040 /nfs/dbraw/zinc/57/50/40/618575040.db2.gz COCDCRVFDNZVFR-UHFFFAOYSA-N 0 1 291.297 2.934 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000182332649 618893913 /nfs/dbraw/zinc/89/39/13/618893913.db2.gz BAZBOQKDETTYPU-LSDHHAIUSA-N 0 1 295.354 2.781 20 10 CFCDMN CCN(C)C(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186818737 619075929 /nfs/dbraw/zinc/07/59/29/619075929.db2.gz SUYZAHRDLWCEEC-GFCCVEGCSA-N 0 1 286.375 2.674 20 10 CFCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)cc(OC)c1O ZINC000893898759 619237094 /nfs/dbraw/zinc/23/70/94/619237094.db2.gz ZICFZBSMPYIERO-TZMCWYRMSA-N 0 1 279.380 2.709 20 10 CFCDMN COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cn1 ZINC000894452555 619389631 /nfs/dbraw/zinc/38/96/31/619389631.db2.gz AJWPDLOZHUMJLK-UHFFFAOYSA-N 0 1 294.301 2.706 20 10 CFCDMN COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000894503146 619403712 /nfs/dbraw/zinc/40/37/12/619403712.db2.gz XVCCHYWVDZDXCP-SNVBAGLBSA-N 0 1 277.320 2.853 20 10 CFCDMN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597109 619428562 /nfs/dbraw/zinc/42/85/62/619428562.db2.gz VJGCKVOVYOXPLD-ZWNOBZJWSA-N 0 1 285.334 2.796 20 10 CFCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CC2(CC2)C1 ZINC000894870390 619492200 /nfs/dbraw/zinc/49/22/00/619492200.db2.gz LBBBTJHRMKJNAP-UHFFFAOYSA-N 0 1 286.144 2.890 20 10 CFCDMN Oc1c(F)cc(Br)cc1CN1CC2(CC2)C1 ZINC000894870390 619492202 /nfs/dbraw/zinc/49/22/02/619492202.db2.gz LBBBTJHRMKJNAP-UHFFFAOYSA-N 0 1 286.144 2.890 20 10 CFCDMN CCc1ncc(CNCc2cc(C)cc(OC)c2O)o1 ZINC000894918577 619512874 /nfs/dbraw/zinc/51/28/74/619512874.db2.gz XGPNSQNZMXVOPO-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844715 619618189 /nfs/dbraw/zinc/61/81/89/619618189.db2.gz OGWMYMMJSAINHV-HZMBPMFUSA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1nc([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)no1 ZINC000896241307 619703113 /nfs/dbraw/zinc/70/31/13/619703113.db2.gz XYNQGXUWSPAMCM-JTQLQIEISA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)no1 ZINC000896241307 619703117 /nfs/dbraw/zinc/70/31/17/619703117.db2.gz XYNQGXUWSPAMCM-JTQLQIEISA-N 0 1 293.754 2.727 20 10 CFCDMN CN1C[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000896311702 619715704 /nfs/dbraw/zinc/71/57/04/619715704.db2.gz WIPUSCUZGSZQLL-CYBMUJFWSA-N 0 1 298.386 2.503 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CC3(C2)OCCO3)cc1Cl ZINC000896909216 619879922 /nfs/dbraw/zinc/87/99/22/619879922.db2.gz RCXXCKPVRVBKNZ-UHFFFAOYSA-N 0 1 297.782 2.597 20 10 CFCDMN [O-]c1c(C[NH2+]CC2CC3(C2)OCCO3)ccc2ccccc21 ZINC000896909841 619880112 /nfs/dbraw/zinc/88/01/12/619880112.db2.gz ZINSQGMCTJROGP-UHFFFAOYSA-N 0 1 299.370 2.788 20 10 CFCDMN Cc1ccc(CNCc2nc3c(s2)COCC3)c(O)c1 ZINC000897239967 619957556 /nfs/dbraw/zinc/95/75/56/619957556.db2.gz UZPJQGZBCRJUGF-UHFFFAOYSA-N 0 1 290.388 2.520 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997656 620116474 /nfs/dbraw/zinc/11/64/74/620116474.db2.gz XIMCZOXNTUCOLT-KJPDOMRESA-N 0 1 288.391 2.705 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841743092 620178094 /nfs/dbraw/zinc/17/80/94/620178094.db2.gz CATNXMGMLBCOHB-ONGXEEELSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841749067 620212003 /nfs/dbraw/zinc/21/20/03/620212003.db2.gz NBNOGBBZQKIYSJ-SNVBAGLBSA-N 0 1 296.798 2.755 20 10 CFCDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc12 ZINC000182973861 625407087 /nfs/dbraw/zinc/40/70/87/625407087.db2.gz AXQFNMUMIRXQIS-UHFFFAOYSA-N 0 1 297.314 2.843 20 10 CFCDMN Cc1noc(C2(NCc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000897897652 620300193 /nfs/dbraw/zinc/30/01/93/620300193.db2.gz DWZUTIURKOXTRJ-UHFFFAOYSA-N 0 1 297.717 2.655 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1Cl ZINC000898376561 620377704 /nfs/dbraw/zinc/37/77/04/620377704.db2.gz MXVXYPPYDMZHIL-JSGCOSHPSA-N 0 1 281.783 2.869 20 10 CFCDMN CCn1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000902490433 621102194 /nfs/dbraw/zinc/10/21/94/621102194.db2.gz NSMGOGSXSANTII-CYBMUJFWSA-N 0 1 272.396 2.820 20 10 CFCDMN C[C@@H]1C[C@H](NCc2csc(N)n2)c2c1c(F)ccc2O ZINC000902499967 621105256 /nfs/dbraw/zinc/10/52/56/621105256.db2.gz RGRCLZRIHUBFNF-XCBNKYQSSA-N 0 1 293.367 2.908 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@H](c2nncn2C)C(C)C)c1 ZINC000903062991 621237786 /nfs/dbraw/zinc/23/77/86/621237786.db2.gz APHAGYIAVHKVMR-DOMZBBRYSA-N 0 1 288.395 2.877 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](c2nncn2C)C(C)C)c1 ZINC000903062992 621237887 /nfs/dbraw/zinc/23/78/87/621237887.db2.gz APHAGYIAVHKVMR-IUODEOHRSA-N 0 1 288.395 2.877 20 10 CFCDMN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000903261338 621302875 /nfs/dbraw/zinc/30/28/75/621302875.db2.gz XAYJCXUVWJTSQU-LKSINWNRSA-N 0 1 298.386 2.850 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300600 621314991 /nfs/dbraw/zinc/31/49/91/621314991.db2.gz IPRDQSBPDTXNJB-CWSCBRNRSA-N 0 1 268.788 2.789 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)NCc2cn(C)cn2)c1O ZINC000903351618 621343658 /nfs/dbraw/zinc/34/36/58/621343658.db2.gz NFMQAPBQWREVRW-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000903392239 621351649 /nfs/dbraw/zinc/35/16/49/621351649.db2.gz PLJBLERVFHHMIF-GXFFZTMASA-N 0 1 296.798 2.707 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC[C@@H]1CCCS1 ZINC000905044067 621685203 /nfs/dbraw/zinc/68/52/03/621685203.db2.gz MURCHCLOINTSDM-NSHDSACASA-N 0 1 299.827 2.555 20 10 CFCDMN COc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000071711671 625544929 /nfs/dbraw/zinc/54/49/29/625544929.db2.gz PVUOVVCJFSTTNT-HNNXBMFYSA-N 0 1 297.402 2.973 20 10 CFCDMN CCCCC[N@@H+](CCO)Cc1ccc(C)cc1O ZINC000876564998 622911108 /nfs/dbraw/zinc/91/11/08/622911108.db2.gz QQEGIKQWJJABLF-UHFFFAOYSA-N 0 1 251.370 2.685 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000230164576 623260038 /nfs/dbraw/zinc/26/00/38/623260038.db2.gz NLKOVBSHKPMDNF-SNVBAGLBSA-N 0 1 255.745 2.562 20 10 CFCDMN CC[C@](C)(CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230222117 623264327 /nfs/dbraw/zinc/26/43/27/623264327.db2.gz GWPDGGVXZHDKOA-CYBMUJFWSA-N 0 1 257.761 2.686 20 10 CFCDMN C[C@H]([NH2+]CC1(C)CCOCC1)c1cc(F)ccc1[O-] ZINC000230668318 623289393 /nfs/dbraw/zinc/28/93/93/623289393.db2.gz ZEIAHDDMURJQGW-NSHDSACASA-N 0 1 267.344 2.999 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CNCc1noc(C2CC2)n1 ZINC000824321375 623489871 /nfs/dbraw/zinc/48/98/71/623489871.db2.gz QZGXPBIGJRURJK-UHFFFAOYSA-N 0 1 297.717 2.735 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CNCc1noc(C2CC2)n1 ZINC000824321541 623489911 /nfs/dbraw/zinc/48/99/11/623489911.db2.gz TUJIFEZTVWMXLP-UHFFFAOYSA-N 0 1 297.717 2.735 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000824636260 623536526 /nfs/dbraw/zinc/53/65/26/623536526.db2.gz NLMYYWWTQIASIM-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000824636260 623536530 /nfs/dbraw/zinc/53/65/30/623536530.db2.gz NLMYYWWTQIASIM-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCOC2)cc1Cl ZINC000824710167 623548946 /nfs/dbraw/zinc/54/89/46/623548946.db2.gz SMWKUTURTZXGAM-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCOC2)cc1Cl ZINC000824710167 623548938 /nfs/dbraw/zinc/54/89/38/623548938.db2.gz SMWKUTURTZXGAM-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN CCOc1ccc(CN[C@@H](C)c2nccn2CC)c(O)c1 ZINC000825005119 623603219 /nfs/dbraw/zinc/60/32/19/623603219.db2.gz DHYPNLRIMBPXEE-LBPRGKRZSA-N 0 1 289.379 2.858 20 10 CFCDMN CCc1ncc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000825079300 623624476 /nfs/dbraw/zinc/62/44/76/623624476.db2.gz QZUOFRSVNRLFGO-JTQLQIEISA-N 0 1 276.336 2.802 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccco2)cc1Cl ZINC000825090290 623627432 /nfs/dbraw/zinc/62/74/32/623627432.db2.gz SRCBZPYDCWSJDM-CYBMUJFWSA-N 0 1 281.739 2.770 20 10 CFCDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])C1(O)CCCC1 ZINC000825240003 623656493 /nfs/dbraw/zinc/65/64/93/623656493.db2.gz FILWPOUTAYZWQY-UHFFFAOYSA-N 0 1 281.371 2.952 20 10 CFCDMN CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825255209 623659807 /nfs/dbraw/zinc/65/98/07/623659807.db2.gz YPXGXUFKKPFRQV-YMTOWFKASA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Cl ZINC000825321540 623670943 /nfs/dbraw/zinc/67/09/43/623670943.db2.gz ZWNBDBSLWYZTOU-GXFFZTMASA-N 0 1 269.772 2.605 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338803 623677056 /nfs/dbraw/zinc/67/70/56/623677056.db2.gz UTHFHOMMPSOBCK-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338803 623677062 /nfs/dbraw/zinc/67/70/62/623677062.db2.gz UTHFHOMMPSOBCK-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN CC[C@](C)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825341289 623678131 /nfs/dbraw/zinc/67/81/31/623678131.db2.gz FZGZRJUGNQWIGF-CQSZACIVSA-N 0 1 271.788 2.995 20 10 CFCDMN Cc1cc(O)c(CNCc2ccno2)cc1Cl ZINC000825501440 623704243 /nfs/dbraw/zinc/70/42/43/623704243.db2.gz PBBKNBNEHRTOPX-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN COc1cc(CNCc2ccno2)c(O)c(C(C)(C)C)c1 ZINC000825501447 623704408 /nfs/dbraw/zinc/70/44/08/623704408.db2.gz PKFOILIQHGXORR-UHFFFAOYSA-N 0 1 290.363 2.976 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]2(C)CO)cc1Cl ZINC000825628620 623726707 /nfs/dbraw/zinc/72/67/07/623726707.db2.gz CDYCCZTVVHVYPI-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]2(C)CO)cc1Cl ZINC000825628620 623726709 /nfs/dbraw/zinc/72/67/09/623726709.db2.gz CDYCCZTVVHVYPI-AWEZNQCLSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1Cl ZINC000826017851 623782963 /nfs/dbraw/zinc/78/29/63/623782963.db2.gz WTQQJBZKZHHASJ-IAQYHMDHSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](O)C(F)F ZINC000826043710 623787016 /nfs/dbraw/zinc/78/70/16/623787016.db2.gz PCNYEIYRWHBUTB-ZYHUDNBSSA-N 0 1 293.741 2.848 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CC2)cc1Cl ZINC000826131140 623796650 /nfs/dbraw/zinc/79/66/50/623796650.db2.gz OXGUIQMCEZFXFF-UHFFFAOYSA-N 0 1 268.788 2.538 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000834826612 623900386 /nfs/dbraw/zinc/90/03/86/623900386.db2.gz FRLXXAJCEPHRFV-XVKPBYJWSA-N 0 1 274.267 2.995 20 10 CFCDMN COCCC1C[NH+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000826893949 623904124 /nfs/dbraw/zinc/90/41/24/623904124.db2.gz HFNRYDHIRZHWOP-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN C[C@H]1C[NH+](Cc2ccc3ccccc3c2[O-])C[C@H](C)C1O ZINC000827151839 623954818 /nfs/dbraw/zinc/95/48/18/623954818.db2.gz KQIHCZWDVANTON-STQMWFEESA-N 0 1 285.387 2.994 20 10 CFCDMN Cc1cncc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000827377111 623995786 /nfs/dbraw/zinc/99/57/86/623995786.db2.gz PTMBTUKXQQPJMA-UHFFFAOYSA-N 0 1 291.782 2.785 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000827596129 624041692 /nfs/dbraw/zinc/04/16/92/624041692.db2.gz VGKADSLGPUHXKD-DGCLKSJQSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000827596128 624041929 /nfs/dbraw/zinc/04/19/29/624041929.db2.gz VGKADSLGPUHXKD-AAEUAGOBSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(Cl)c1 ZINC000827601704 624043376 /nfs/dbraw/zinc/04/33/76/624043376.db2.gz HLHPBWMHLZUZTP-NWDGAFQWSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c(Cl)c1 ZINC000827601704 624043382 /nfs/dbraw/zinc/04/33/82/624043382.db2.gz HLHPBWMHLZUZTP-NWDGAFQWSA-N 0 1 281.783 2.822 20 10 CFCDMN COc1cc(Cl)cc(CN[C@H](C)c2nccn2C)c1O ZINC000827722608 624077568 /nfs/dbraw/zinc/07/75/68/624077568.db2.gz OEPUXYSIRVIFBI-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN Oc1ccc(Cl)cc1CN1CCCc2n[nH]cc2C1 ZINC000828014291 624154564 /nfs/dbraw/zinc/15/45/64/624154564.db2.gz ZWQGIHGXLHZBQZ-UHFFFAOYSA-N 0 1 277.755 2.717 20 10 CFCDMN CCc1onc(C)c1CN(C)Cc1ccccc1O ZINC000929976834 624338103 /nfs/dbraw/zinc/33/81/03/624338103.db2.gz QOBUHSMVWIEMRM-UHFFFAOYSA-N 0 1 260.337 2.883 20 10 CFCDMN C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834904994 625917095 /nfs/dbraw/zinc/91/70/95/625917095.db2.gz DPYPEVRJAAEXGV-XPTSAGLGSA-N 0 1 269.772 2.857 20 10 CFCDMN COc1cccnc1CN[C@H](C)c1cc(C)ccc1O ZINC000834905676 625918422 /nfs/dbraw/zinc/91/84/22/625918422.db2.gz JTLUTNJYISLRBR-GFCCVEGCSA-N 0 1 272.348 2.955 20 10 CFCDMN CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834910309 625920249 /nfs/dbraw/zinc/92/02/49/625920249.db2.gz WIPSCTVQLCXYFJ-SWLSCSKDSA-N 0 1 296.798 2.755 20 10 CFCDMN c1nn(CC2CCC2)cc1CNCc1ccc2c(c1)CCO2 ZINC000921651952 626047869 /nfs/dbraw/zinc/04/78/69/626047869.db2.gz VGXURJQMUFGIJA-UHFFFAOYSA-N 0 1 297.402 2.908 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cnn(C)c1 ZINC000921774686 626118095 /nfs/dbraw/zinc/11/80/95/626118095.db2.gz ABMNSRHZXXMSSB-GFCCVEGCSA-N 0 1 271.364 2.596 20 10 CFCDMN Cc1cc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)ccc1N(C)C ZINC000851708820 634481339 /nfs/dbraw/zinc/48/13/39/634481339.db2.gz ZWYGCMBXOIDUNJ-CYBMUJFWSA-N 0 1 290.407 2.889 20 10 CFCDMN COc1cccc(O)c1CN[C@H]1CCCc2cccnc21 ZINC000922880214 626386133 /nfs/dbraw/zinc/38/61/33/626386133.db2.gz IARQNJDAKZBBQF-AWEZNQCLSA-N 0 1 284.359 2.963 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000086696038 626408972 /nfs/dbraw/zinc/40/89/72/626408972.db2.gz LFHGPMQGQANICT-GFCCVEGCSA-N 0 1 257.761 2.806 20 10 CFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnccn1 ZINC000838795403 626505382 /nfs/dbraw/zinc/50/53/82/626505382.db2.gz NVIWNELJDTYWKL-UHFFFAOYSA-N 0 1 284.407 2.953 20 10 CFCDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000839132234 626527989 /nfs/dbraw/zinc/52/79/89/626527989.db2.gz WIXPUOZWIKDSGP-PHIMTYICSA-N 0 1 283.730 2.881 20 10 CFCDMN CC(C)(C)c1nc(CNCc2c(O)cccc2Cl)n[nH]1 ZINC000839170384 626529329 /nfs/dbraw/zinc/52/93/29/626529329.db2.gz LDASFTBHJZZIAH-UHFFFAOYSA-N 0 1 294.786 2.751 20 10 CFCDMN COc1cccc(CNCc2nn(C)c3ccccc23)c1O ZINC000759190030 626634099 /nfs/dbraw/zinc/63/40/99/626634099.db2.gz HPZHTYRYCGKTBN-UHFFFAOYSA-N 0 1 297.358 2.577 20 10 CFCDMN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000759836848 626695149 /nfs/dbraw/zinc/69/51/49/626695149.db2.gz LVZKFVLPYJQVFG-QWRGUYRKSA-N 0 1 269.772 2.950 20 10 CFCDMN COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000762787344 626937023 /nfs/dbraw/zinc/93/70/23/626937023.db2.gz QXLMBFWXIFSBRG-UHFFFAOYSA-N 0 1 285.771 2.867 20 10 CFCDMN CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCOC1 ZINC000763573464 626999053 /nfs/dbraw/zinc/99/90/53/626999053.db2.gz SHKIVNPEXSCHKX-QMTHXVAHSA-N 0 1 285.771 2.502 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000768438606 627342338 /nfs/dbraw/zinc/34/23/38/627342338.db2.gz VLMBUQXLPJTSEE-MRXNPFEDSA-N 0 1 291.391 2.973 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000768438606 627342339 /nfs/dbraw/zinc/34/23/39/627342339.db2.gz VLMBUQXLPJTSEE-MRXNPFEDSA-N 0 1 291.391 2.973 20 10 CFCDMN C[C@@H]1CSCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769427011 627437406 /nfs/dbraw/zinc/43/74/06/627437406.db2.gz FIJYYXGGPQGKQN-LLVKDONJSA-N 0 1 268.401 2.829 20 10 CFCDMN C[N@@H+](Cc1cn[nH]c1)Cc1cccc(Br)c1[O-] ZINC000769426148 627437987 /nfs/dbraw/zinc/43/79/87/627437987.db2.gz SSBACLIGHSIMRE-UHFFFAOYSA-N 0 1 296.168 2.510 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773732275 627852878 /nfs/dbraw/zinc/85/28/78/627852878.db2.gz RZERYCVONYNQJR-INIZCTEOSA-N 0 1 262.397 2.754 20 10 CFCDMN CCCCCN(CC(N)=O)Cc1ccc(N(C)CC)cc1 ZINC000773831313 627861707 /nfs/dbraw/zinc/86/17/07/627861707.db2.gz IZJUXBWCUNFMLM-UHFFFAOYSA-N 0 1 291.439 2.620 20 10 CFCDMN C[C@H](NCc1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000775136535 627996167 /nfs/dbraw/zinc/99/61/67/627996167.db2.gz KRABZZBSCXCDKX-ZDUSSCGKSA-N 0 1 294.358 2.824 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cc(Cl)ccc1[O-] ZINC000775551438 628035792 /nfs/dbraw/zinc/03/57/92/628035792.db2.gz MRZNEOTWWTUEIQ-BMKPQVEQSA-N 0 1 289.828 2.853 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)ccc1[O-] ZINC000775546860 628036424 /nfs/dbraw/zinc/03/64/24/628036424.db2.gz LMZLFCKKCNCRHK-YPMHNXCESA-N 0 1 287.787 2.748 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)C1CCCC1 ZINC000775637272 628048595 /nfs/dbraw/zinc/04/85/95/628048595.db2.gz NTLGSDQSYRMPSY-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775656008 628050630 /nfs/dbraw/zinc/05/06/30/628050630.db2.gz ABEXMKXSALOWNV-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775987025 628092442 /nfs/dbraw/zinc/09/24/42/628092442.db2.gz UATGMJUIZHKCOC-NXEZZACHSA-N 0 1 286.778 2.709 20 10 CFCDMN Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])no1 ZINC000776054484 628097814 /nfs/dbraw/zinc/09/78/14/628097814.db2.gz HZBNXWUBRLIHQF-UHFFFAOYSA-N 0 1 270.691 2.771 20 10 CFCDMN COc1cccc(CNCc2ccc(Cl)cn2)c1O ZINC000776255006 628123154 /nfs/dbraw/zinc/12/31/54/628123154.db2.gz SVBASVKPRCWRRS-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)c2c1c(F)ccc2[O-] ZINC000779084502 628350934 /nfs/dbraw/zinc/35/09/34/628350934.db2.gz FECHWCTUYLPMNR-JQWIXIFHSA-N 0 1 279.355 2.832 20 10 CFCDMN Cc1cn2c(n1)CN(Cc1cc(Cl)cc(F)c1O)CC2 ZINC000783593986 628724775 /nfs/dbraw/zinc/72/47/75/628724775.db2.gz QEXLKVGUZJJDMR-UHFFFAOYSA-N 0 1 295.745 2.705 20 10 CFCDMN CC[C@H]([NH2+]CCCCO)c1cc(Cl)ccc1[O-] ZINC000786939752 628985498 /nfs/dbraw/zinc/98/54/98/628985498.db2.gz HACRSJWUQYHXEO-LBPRGKRZSA-N 0 1 257.761 2.859 20 10 CFCDMN CCn1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1=O ZINC000788523393 629078086 /nfs/dbraw/zinc/07/80/86/629078086.db2.gz BWYKZHBPLBRRBG-UHFFFAOYSA-N 0 1 292.766 2.517 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000788983272 629114098 /nfs/dbraw/zinc/11/40/98/629114098.db2.gz CSGTVZFFXAPQHT-UZWSLXQKSA-N 0 1 279.355 2.830 20 10 CFCDMN Cc1cc(CNC/C=C/c2ccc(N(C)C)cc2)ncn1 ZINC000835040744 629334857 /nfs/dbraw/zinc/33/48/57/629334857.db2.gz GNOAZUIUDFNYPO-SNAWJCMRSA-N 0 1 282.391 2.654 20 10 CFCDMN CN(C)c1ccc(C=CCNCc2n[nH]c(C3CC3)n2)cc1 ZINC000835055251 629359488 /nfs/dbraw/zinc/35/94/88/629359488.db2.gz SOAQNTOVBZOFSK-ARJAWSKDSA-N 0 1 297.406 2.551 20 10 CFCDMN CN(Cc1ccon1)Cc1c(O)ccc(Cl)c1F ZINC000792164626 629403943 /nfs/dbraw/zinc/40/39/43/629403943.db2.gz AOTFTCPFWYXNPY-UHFFFAOYSA-N 0 1 270.691 2.805 20 10 CFCDMN CN(Cc1cc[nH]n1)Cc1c(O)ccc(Cl)c1F ZINC000792167970 629405062 /nfs/dbraw/zinc/40/50/62/629405062.db2.gz VIMBRUQWOCKLJG-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174332 629406034 /nfs/dbraw/zinc/40/60/34/629406034.db2.gz RYXQFFKBTMOITD-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793249153 629513029 /nfs/dbraw/zinc/51/30/29/629513029.db2.gz DTKWGSIARSRWRA-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN COc1ccc(CNCc2csc([N+](=O)[O-])c2)c(O)c1 ZINC000793387561 629535760 /nfs/dbraw/zinc/53/57/60/629535760.db2.gz HEQHCSXOIKTVMI-UHFFFAOYSA-N 0 1 294.332 2.660 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)nc(C)n2)c1 ZINC000793563365 629572102 /nfs/dbraw/zinc/57/21/02/629572102.db2.gz FQDKPROAFMMYQO-LLVKDONJSA-N 0 1 287.363 2.658 20 10 CFCDMN CC(C)(C)c1ncc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000793585128 629575350 /nfs/dbraw/zinc/57/53/50/629575350.db2.gz WRMRMSUCORACPE-UHFFFAOYSA-N 0 1 297.402 2.999 20 10 CFCDMN CC(C)[C@H](NCc1cc(Cl)ccc1O)c1nncn1C ZINC000796453547 629919812 /nfs/dbraw/zinc/91/98/12/629919812.db2.gz JOZOLBIRBBXNLJ-ZDUSSCGKSA-N 0 1 294.786 2.661 20 10 CFCDMN C[C@@H](NCc1ccccc1O)c1c(F)cncc1F ZINC000796527676 629930692 /nfs/dbraw/zinc/93/06/92/629930692.db2.gz WYTGBZSEELAXGQ-SECBINFHSA-N 0 1 264.275 2.916 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc[nH]1 ZINC000807838421 630912769 /nfs/dbraw/zinc/91/27/69/630912769.db2.gz QZNHMKHQXFWKSC-UHFFFAOYSA-N 0 1 285.130 2.957 20 10 CFCDMN COC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837347 630913264 /nfs/dbraw/zinc/91/32/64/630913264.db2.gz MMQFOOHSALNMJV-UHFFFAOYSA-N 0 1 292.162 2.740 20 10 CFCDMN Oc1ccc2ccccc2c1CN1CCO[C@@H](CF)C1 ZINC000840170843 631108119 /nfs/dbraw/zinc/10/81/19/631108119.db2.gz ASTNRNJEGHEMKS-ZDUSSCGKSA-N 0 1 275.323 2.716 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)Cn2ccnc2)c(Cl)c1 ZINC000840888081 631253410 /nfs/dbraw/zinc/25/34/10/631253410.db2.gz XGHRTAIBDSEWRS-GFCCVEGCSA-N 0 1 293.798 2.976 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(=O)NC(C)(C)C)c(Cl)c1 ZINC000840892702 631254825 /nfs/dbraw/zinc/25/48/25/631254825.db2.gz ZCXDJPDRGHKWAE-UHFFFAOYSA-N 0 1 298.814 2.748 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCO2)c(Cl)c1 ZINC000840911234 631260581 /nfs/dbraw/zinc/26/05/81/631260581.db2.gz YISIYTQEGSNVGZ-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCO2)c(Cl)c1 ZINC000840911234 631260586 /nfs/dbraw/zinc/26/05/86/631260586.db2.gz YISIYTQEGSNVGZ-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCO2)c(Cl)c1 ZINC000840911234 631260595 /nfs/dbraw/zinc/26/05/95/631260595.db2.gz YISIYTQEGSNVGZ-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(CCO)CC2)c(Cl)c1 ZINC000840909543 631260648 /nfs/dbraw/zinc/26/06/48/631260648.db2.gz IFTUWNJSOKFZLV-UHFFFAOYSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)[S@](C)=O)c(Cl)c1 ZINC000840909771 631260840 /nfs/dbraw/zinc/26/08/40/631260840.db2.gz VXALCRSFUQRDBQ-MGNBDDOMSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000840938312 631270225 /nfs/dbraw/zinc/27/02/25/631270225.db2.gz MWATUOJQILEINS-GXFFZTMASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000840938312 631270233 /nfs/dbraw/zinc/27/02/33/631270233.db2.gz MWATUOJQILEINS-GXFFZTMASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1c(CN(C)Cc2ccc(N(C)C)cc2C)cnn1C ZINC000840940958 631271410 /nfs/dbraw/zinc/27/14/10/631271410.db2.gz PNRKUHAZNQEKEV-UHFFFAOYSA-N 0 1 286.423 2.735 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC3(C2)CCOCC3)c(Cl)c1 ZINC000840953757 631280677 /nfs/dbraw/zinc/28/06/77/631280677.db2.gz YXJRSHXHYBDEJY-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC(C(C)(C)O)C2)c(Cl)c1 ZINC000840953301 631280807 /nfs/dbraw/zinc/28/08/07/631280807.db2.gz OLTJLHCQWQPVFT-UHFFFAOYSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H](O)C(C)C ZINC000840967463 631288041 /nfs/dbraw/zinc/28/80/41/631288041.db2.gz NPZKQZVKCURSAM-OCCSQVGLSA-N 0 1 271.788 2.931 20 10 CFCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000840996653 631296589 /nfs/dbraw/zinc/29/65/89/631296589.db2.gz GCELXFZUSZYOLX-NSHDSACASA-N 0 1 282.359 2.577 20 10 CFCDMN CC[C@@H]([NH2+]CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208092 631344074 /nfs/dbraw/zinc/34/40/74/631344074.db2.gz SDGNWCDHULDYTL-LLVKDONJSA-N 0 1 277.286 2.834 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(F)cc(F)c1[O-] ZINC000810253629 631350621 /nfs/dbraw/zinc/35/06/21/631350621.db2.gz YYZIWWHAUAEZDM-WPRPVWTQSA-N 0 1 293.317 2.602 20 10 CFCDMN C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000841743549 631463342 /nfs/dbraw/zinc/46/33/42/631463342.db2.gz AXYFDWSNAORTJN-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841750222 631464280 /nfs/dbraw/zinc/46/42/80/631464280.db2.gz NLSIVLHQLOYGAW-BDAKNGLRSA-N 0 1 257.761 2.856 20 10 CFCDMN CCC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750733 631465317 /nfs/dbraw/zinc/46/53/17/631465317.db2.gz ADCBEAXTCVYCLR-KOLCDFICSA-N 0 1 257.761 2.857 20 10 CFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750981 631465922 /nfs/dbraw/zinc/46/59/22/631465922.db2.gz DNKGXPYYUHBJMY-PSOPSSQASA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(Cl)cc1[O-] ZINC000841754139 631466832 /nfs/dbraw/zinc/46/68/32/631466832.db2.gz ZVFXXTKXDFDUOP-SECBINFHSA-N 0 1 285.771 2.848 20 10 CFCDMN COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756787 631467077 /nfs/dbraw/zinc/46/70/77/631467077.db2.gz KDRSVDVKVBETER-CMPLNLGQSA-N 0 1 287.787 2.748 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H](C)O ZINC000841757348 631467866 /nfs/dbraw/zinc/46/78/66/631467866.db2.gz NMFTVIZOYXPLOY-AUTRQRHGSA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760563 631468021 /nfs/dbraw/zinc/46/80/21/631468021.db2.gz SNHZRVRKZPITNX-QWRGUYRKSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H]([NH2+]CC1(O)CCC1)c1ccc(Cl)cc1[O-] ZINC000841764566 631468939 /nfs/dbraw/zinc/46/89/39/631468939.db2.gz QIZWMLLEDPOWMK-VIFPVBQESA-N 0 1 255.745 2.611 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000841889327 631487683 /nfs/dbraw/zinc/48/76/83/631487683.db2.gz BLHTYCJKVHOCEF-DCAQKATOSA-N 0 1 294.351 2.785 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000841889329 631488034 /nfs/dbraw/zinc/48/80/34/631488034.db2.gz BLHTYCJKVHOCEF-HBNTYKKESA-N 0 1 294.351 2.785 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000841889326 631488250 /nfs/dbraw/zinc/48/82/50/631488250.db2.gz BLHTYCJKVHOCEF-AXFHLTTASA-N 0 1 294.351 2.785 20 10 CFCDMN CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000841890635 631489092 /nfs/dbraw/zinc/48/90/92/631489092.db2.gz RJIOUYMSYPOHSE-UHFFFAOYSA-N 0 1 270.376 2.729 20 10 CFCDMN c1ccc2c(c1)COC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000841892223 631489183 /nfs/dbraw/zinc/48/91/83/631489183.db2.gz ZLEGVEKOJKTFLG-KRWDZBQOSA-N 0 1 281.355 2.983 20 10 CFCDMN CC(=O)C(=O)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842617682 631682606 /nfs/dbraw/zinc/68/26/06/631682606.db2.gz IRZPWBGOWVLMSI-HNNXBMFYSA-N 0 1 291.416 2.542 20 10 CFCDMN CC(=O)C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000842617682 631682612 /nfs/dbraw/zinc/68/26/12/631682612.db2.gz IRZPWBGOWVLMSI-HNNXBMFYSA-N 0 1 291.416 2.542 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC1 ZINC000812780329 631772697 /nfs/dbraw/zinc/77/26/97/631772697.db2.gz AHTYFHOVFIOTIN-NSHDSACASA-N 0 1 273.735 2.796 20 10 CFCDMN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039086 631809791 /nfs/dbraw/zinc/80/97/91/631809791.db2.gz ANISFBVENDLRRW-RNCFNFMXSA-N 0 1 297.782 2.897 20 10 CFCDMN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CC=CC1 ZINC000843432367 631957674 /nfs/dbraw/zinc/95/76/74/631957674.db2.gz BNFFRODDKZNMFM-MRXNPFEDSA-N 0 1 293.382 2.974 20 10 CFCDMN COc1cccc(CN2C[C@H](C)OC3(CCC3)C2)c1O ZINC000843435588 631959604 /nfs/dbraw/zinc/95/96/04/631959604.db2.gz PSEUECJNVURFAW-LBPRGKRZSA-N 0 1 277.364 2.544 20 10 CFCDMN OC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816478182 632467238 /nfs/dbraw/zinc/46/72/38/632467238.db2.gz WXVGEYLBSNHSSI-ZDUSSCGKSA-N 0 1 271.360 2.750 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](CO)C2)ccc2ccccc21 ZINC000816478182 632467241 /nfs/dbraw/zinc/46/72/41/632467241.db2.gz WXVGEYLBSNHSSI-ZDUSSCGKSA-N 0 1 271.360 2.750 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@H](CO)C2)ccc2ccccc21 ZINC000816478182 632467244 /nfs/dbraw/zinc/46/72/44/632467244.db2.gz WXVGEYLBSNHSSI-ZDUSSCGKSA-N 0 1 271.360 2.750 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000816535708 632479108 /nfs/dbraw/zinc/47/91/08/632479108.db2.gz XPEGGWHENCQTPJ-SNVBAGLBSA-N 0 1 298.789 2.759 20 10 CFCDMN CC(C)N1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816552579 632482490 /nfs/dbraw/zinc/48/24/90/632482490.db2.gz QGYJRKTXJRTTJI-HNNXBMFYSA-N 0 1 298.386 2.644 20 10 CFCDMN C[C@H](C[C@H](C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816566943 632486960 /nfs/dbraw/zinc/48/69/60/632486960.db2.gz LYNTWHFNFISSPJ-NEPJUHHUSA-N 0 1 259.349 2.794 20 10 CFCDMN COC(=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816574486 632487729 /nfs/dbraw/zinc/48/77/29/632487729.db2.gz JMKSXCIFLYJBEU-UHFFFAOYSA-N 0 1 285.343 2.588 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc2ccccc21 ZINC000816574603 632488030 /nfs/dbraw/zinc/48/80/30/632488030.db2.gz MZVBRGXPEGDQGI-HNNXBMFYSA-N 0 1 294.358 2.584 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H](n3cncn3)C2)ccc2ccccc21 ZINC000816574603 632488032 /nfs/dbraw/zinc/48/80/32/632488032.db2.gz MZVBRGXPEGDQGI-HNNXBMFYSA-N 0 1 294.358 2.584 20 10 CFCDMN CC(F)(F)CNCc1cc(Cl)cc(F)c1O ZINC000816643253 632500888 /nfs/dbraw/zinc/50/08/88/632500888.db2.gz ZCGXKDWMIKHSDJ-UHFFFAOYSA-N 0 1 253.651 2.930 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646991 632502136 /nfs/dbraw/zinc/50/21/36/632502136.db2.gz LZLNUDMNPGCOBT-SFYZADRCSA-N 0 1 270.716 2.794 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)[N@@H+]1C ZINC000816653042 632505194 /nfs/dbraw/zinc/50/51/94/632505194.db2.gz CUVMHSBKWGQIDX-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000816660969 632507381 /nfs/dbraw/zinc/50/73/81/632507381.db2.gz WOIYTRDSDJHZAN-GFCCVEGCSA-N 0 1 268.788 2.572 20 10 CFCDMN CC[C@@H]1CN(C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000816660969 632507383 /nfs/dbraw/zinc/50/73/83/632507383.db2.gz WOIYTRDSDJHZAN-GFCCVEGCSA-N 0 1 268.788 2.572 20 10 CFCDMN CC[C@@H]1CN(C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000816660969 632507384 /nfs/dbraw/zinc/50/73/84/632507384.db2.gz WOIYTRDSDJHZAN-GFCCVEGCSA-N 0 1 268.788 2.572 20 10 CFCDMN COc1ccc(O)c(CN2CCOC[C@H]2CC2CCC2)c1 ZINC000816667430 632508914 /nfs/dbraw/zinc/50/89/14/632508914.db2.gz NDWNLSQLZMKITL-OAHLLOKOSA-N 0 1 291.391 2.792 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113539 632636156 /nfs/dbraw/zinc/63/61/56/632636156.db2.gz MKKZQSVUZDFDGD-OCAPTIKFSA-N 0 1 277.673 2.882 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118160 632639457 /nfs/dbraw/zinc/63/94/57/632639457.db2.gz UUIRADUBADMXDQ-GFCCVEGCSA-N 0 1 257.255 2.762 20 10 CFCDMN COc1cccc([C@@H](C)NCc2cnc(C)o2)c1O ZINC000846168627 632652154 /nfs/dbraw/zinc/65/21/54/632652154.db2.gz LEIRTPOUXAAJHS-SECBINFHSA-N 0 1 262.309 2.548 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC000817881991 632716901 /nfs/dbraw/zinc/71/69/01/632716901.db2.gz SYTUKONOHQFOHR-HZMBPMFUSA-N 0 1 277.364 2.552 20 10 CFCDMN CC[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817952569 632752457 /nfs/dbraw/zinc/75/24/57/632752457.db2.gz FWFYFBPGWGDVRS-ZWNOBZJWSA-N 0 1 268.788 2.838 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Cl)c1[O-] ZINC000817964752 632763422 /nfs/dbraw/zinc/76/34/22/632763422.db2.gz GWDNPLNEKULLFL-OLZOCXBDSA-N 0 1 268.788 2.824 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc2ccccc2c1[O-] ZINC000817976688 632774305 /nfs/dbraw/zinc/77/43/05/632774305.db2.gz RFLWRDQTKASLJR-UBHSHLNASA-N 0 1 288.366 2.896 20 10 CFCDMN CCCC[N@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846893572 632835642 /nfs/dbraw/zinc/83/56/42/632835642.db2.gz KDHITIKYGNHICX-UHFFFAOYSA-N 0 1 292.423 2.863 20 10 CFCDMN CCCC[N@@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846893572 632835646 /nfs/dbraw/zinc/83/56/46/632835646.db2.gz KDHITIKYGNHICX-UHFFFAOYSA-N 0 1 292.423 2.863 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000818357743 632836829 /nfs/dbraw/zinc/83/68/29/632836829.db2.gz KHFOXNLIRCMOQW-QJPTWQEYSA-N 0 1 289.297 2.975 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060509 635920872 /nfs/dbraw/zinc/92/08/72/635920872.db2.gz APOJUPHTXXHOIV-NWDGAFQWSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060509 635920875 /nfs/dbraw/zinc/92/08/75/635920875.db2.gz APOJUPHTXXHOIV-NWDGAFQWSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(Cl)c1 ZINC000857060509 635920880 /nfs/dbraw/zinc/92/08/80/635920880.db2.gz APOJUPHTXXHOIV-NWDGAFQWSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1CO ZINC000857060714 635922167 /nfs/dbraw/zinc/92/21/67/635922167.db2.gz FIEIDVGURMLZKW-CZUORRHYSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1CO ZINC000857060714 635922171 /nfs/dbraw/zinc/92/21/71/635922171.db2.gz FIEIDVGURMLZKW-CZUORRHYSA-N 0 1 285.387 2.996 20 10 CFCDMN CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000848558634 633288845 /nfs/dbraw/zinc/28/88/45/633288845.db2.gz NNKKKHORTKKTBM-PXAZEXFGSA-N 0 1 289.375 2.593 20 10 CFCDMN CCc1cccc(CNCc2ncccc2F)c1O ZINC000848899292 633388192 /nfs/dbraw/zinc/38/81/92/633388192.db2.gz MQGDVKVGMBONRQ-UHFFFAOYSA-N 0 1 260.312 2.779 20 10 CFCDMN CCc1cccc(CN2CCO[C@@H](COC(C)C)C2)c1O ZINC000848902425 633389538 /nfs/dbraw/zinc/38/95/38/633389538.db2.gz CXPSWXITKTUWGV-MRXNPFEDSA-N 0 1 293.407 2.580 20 10 CFCDMN CCc1cccc(CN2CC[C@H](C)C[C@H]2C(=O)OC)c1O ZINC000848904613 633390855 /nfs/dbraw/zinc/39/08/55/633390855.db2.gz YFZQRYHREDPKNF-WFASDCNBSA-N 0 1 291.391 2.728 20 10 CFCDMN C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000848928187 633410887 /nfs/dbraw/zinc/41/08/87/633410887.db2.gz AOOOATSXTZNFQC-LBPRGKRZSA-N 0 1 271.360 2.891 20 10 CFCDMN C[C@H](O)C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000848928187 633410890 /nfs/dbraw/zinc/41/08/90/633410890.db2.gz AOOOATSXTZNFQC-LBPRGKRZSA-N 0 1 271.360 2.891 20 10 CFCDMN CCCn1nccc1CNCc1ccc2c(c1)CCO2 ZINC000850111108 633845325 /nfs/dbraw/zinc/84/53/25/633845325.db2.gz GHMTZTMDDDQHBA-UHFFFAOYSA-N 0 1 271.364 2.518 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CO)CC2CC2)c(Cl)c1 ZINC000850389448 633973201 /nfs/dbraw/zinc/97/32/01/633973201.db2.gz XJPLRKWERFXJGS-GFCCVEGCSA-N 0 1 283.799 2.852 20 10 CFCDMN CC[C@H](NCc1cn(CC)nn1)c1ccc(C)cc1O ZINC000850522713 634029982 /nfs/dbraw/zinc/02/99/82/634029982.db2.gz XMIXCHPKCMYZNG-AWEZNQCLSA-N 0 1 274.368 2.553 20 10 CFCDMN C[C@]1(C2CC2)C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000853529198 635028494 /nfs/dbraw/zinc/02/84/94/635028494.db2.gz QWHUNTBOXNWBIK-GOSISDBHSA-N 0 1 298.386 2.941 20 10 CFCDMN C[C@]1(C2CC2)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000853529198 635028497 /nfs/dbraw/zinc/02/84/97/635028497.db2.gz QWHUNTBOXNWBIK-GOSISDBHSA-N 0 1 298.386 2.941 20 10 CFCDMN Cc1cccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854243974 635270662 /nfs/dbraw/zinc/27/06/62/635270662.db2.gz JWGKARBTEWOSLG-UHFFFAOYSA-N 0 1 265.353 2.633 20 10 CFCDMN Cc1noc(C)c1CNCc1ccc(N(C)C)cc1C ZINC000115629087 636025200 /nfs/dbraw/zinc/02/52/00/636025200.db2.gz UOHMCTAORWFKNF-UHFFFAOYSA-N 0 1 273.380 2.956 20 10 CFCDMN COc1ccc(O)c(CNCc2cnc(C3CC3)o2)c1 ZINC000862278001 637309130 /nfs/dbraw/zinc/30/91/30/637309130.db2.gz CGWLHCXMXZUMDF-UHFFFAOYSA-N 0 1 274.320 2.556 20 10 CFCDMN COCC(C)(C)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862372843 637342644 /nfs/dbraw/zinc/34/26/44/637342644.db2.gz BQRBDRSITHOPJL-UHFFFAOYSA-N 0 1 286.366 2.888 20 10 CFCDMN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000862486286 637400596 /nfs/dbraw/zinc/40/05/96/637400596.db2.gz CHPHGPODIQJLQP-NSHDSACASA-N 0 1 295.766 2.787 20 10 CFCDMN COc1cc(F)cc(OC)c1CNCc1ccccc1O ZINC000865441549 638337287 /nfs/dbraw/zinc/33/72/87/638337287.db2.gz GPDCAEXFURMJEC-UHFFFAOYSA-N 0 1 291.322 2.838 20 10 CFCDMN Cc1nocc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000865679231 638507340 /nfs/dbraw/zinc/50/73/40/638507340.db2.gz ZBJCSXSKZBWNEK-SNAWJCMRSA-N 0 1 271.364 2.852 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865692692 638515757 /nfs/dbraw/zinc/51/57/57/638515757.db2.gz MNEFPEJUSCVALW-NPKNSRMISA-N 0 1 279.767 2.559 20 10 CFCDMN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865873963 638632842 /nfs/dbraw/zinc/63/28/42/638632842.db2.gz NKCWDCBQKXAZCG-MNOVXSKESA-N 0 1 271.788 2.993 20 10 CFCDMN CC[C@@H](C[C@H](C)O)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865873964 638632977 /nfs/dbraw/zinc/63/29/77/638632977.db2.gz NKCWDCBQKXAZCG-QWRGUYRKSA-N 0 1 271.788 2.993 20 10 CFCDMN Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000873190185 642057507 /nfs/dbraw/zinc/05/75/07/642057507.db2.gz WZDKZIHIQLXEDC-JTQLQIEISA-N 0 1 277.755 2.995 20 10 CFCDMN CCOc1ccc(O)c(CN[C@H](C)c2nccnc2C)c1 ZINC000873189586 642057664 /nfs/dbraw/zinc/05/76/64/642057664.db2.gz QPGHSUWYCZNBDN-GFCCVEGCSA-N 0 1 287.363 2.740 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1c(C)cccc1O ZINC000876611936 642945047 /nfs/dbraw/zinc/94/50/47/642945047.db2.gz WFNOTVOFWGNJJM-UHFFFAOYSA-N 0 1 260.337 2.937 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CO)C(C)(C)C ZINC000876789765 643009083 /nfs/dbraw/zinc/00/90/83/643009083.db2.gz IUVZRDVPVRNUBP-LLVKDONJSA-N 0 1 273.323 2.509 20 10 CFCDMN C[N@@H+]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@@H]21 ZINC000876812079 643019480 /nfs/dbraw/zinc/01/94/80/643019480.db2.gz JHVUZBZQKQYGCO-FZMZJTMJSA-N 0 1 296.361 2.587 20 10 CFCDMN C[N@H+]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@@H]21 ZINC000876812079 643019485 /nfs/dbraw/zinc/01/94/85/643019485.db2.gz JHVUZBZQKQYGCO-FZMZJTMJSA-N 0 1 296.361 2.587 20 10 CFCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000877139693 643174314 /nfs/dbraw/zinc/17/43/14/643174314.db2.gz WSVKKCCUQDFDMR-AAEUAGOBSA-N 0 1 299.361 2.899 20 10 CFCDMN Cc1ccc(CN2CCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000877344109 643244712 /nfs/dbraw/zinc/24/47/12/643244712.db2.gz DUXOKMDWSNILDH-ZDUSSCGKSA-N 0 1 257.337 2.761 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(F)c(F)c1[O-] ZINC000877516800 643322234 /nfs/dbraw/zinc/32/22/34/643322234.db2.gz IJTXFJBRPOVUOI-YIBHEWFUSA-N 0 1 295.329 2.526 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1ccc(C)cc1O ZINC000877570165 643369101 /nfs/dbraw/zinc/36/91/01/643369101.db2.gz IIFQSWPCBGEYQP-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN Cc1cccc(O)c1CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000877571259 643370404 /nfs/dbraw/zinc/37/04/04/643370404.db2.gz ZZTRGMHQWBKDOZ-YPMHNXCESA-N 0 1 257.337 2.693 20 10 CFCDMN Cc1cccc(O)c1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000877626448 643411201 /nfs/dbraw/zinc/41/12/01/643411201.db2.gz VFTFNLJYBIMYPR-IYBDPMFKSA-N 0 1 261.365 2.559 20 10 CFCDMN COc1ccnc(CNCc2ccc(C)cc2O)c1F ZINC000877630519 643415526 /nfs/dbraw/zinc/41/55/26/643415526.db2.gz KRWRVFLOXUGNDD-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000877674617 643447105 /nfs/dbraw/zinc/44/71/05/643447105.db2.gz NDTFKRMTMXIKAR-AWEZNQCLSA-N 0 1 296.798 2.536 20 10 CFCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000877674617 643447109 /nfs/dbraw/zinc/44/71/09/643447109.db2.gz NDTFKRMTMXIKAR-AWEZNQCLSA-N 0 1 296.798 2.536 20 10 CFCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000877673784 643447310 /nfs/dbraw/zinc/44/73/10/643447310.db2.gz IKXWARFYKGTNDI-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1Cl ZINC000877693347 643458051 /nfs/dbraw/zinc/45/80/51/643458051.db2.gz GDDKDCVJHCVUNS-HQJQHLMTSA-N 0 1 297.704 2.755 20 10 CFCDMN COc1cccc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703288 643469153 /nfs/dbraw/zinc/46/91/53/643469153.db2.gz AAGDEKLHJDKQPQ-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000877739088 643504367 /nfs/dbraw/zinc/50/43/67/643504367.db2.gz FGDORQGFQASNKC-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@H](NCc1cnn(C)c1Cl)c1ccccc1O ZINC000877758189 643538531 /nfs/dbraw/zinc/53/85/31/643538531.db2.gz LXXRKTMWMRAOHT-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(F)c(F)c1O)N2 ZINC000877861832 643610193 /nfs/dbraw/zinc/61/01/93/643610193.db2.gz CYYVJSGSYMCKMF-CQSZACIVSA-N 0 1 290.269 2.833 20 10 CFCDMN NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092660247 650922589 /nfs/dbraw/zinc/92/25/89/650922589.db2.gz HFSMIWGOXWCWDT-NSHDSACASA-N 0 1 296.798 2.523 20 10 CFCDMN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092660247 650922592 /nfs/dbraw/zinc/92/25/92/650922592.db2.gz HFSMIWGOXWCWDT-NSHDSACASA-N 0 1 296.798 2.523 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)c1[O-] ZINC000880438887 644707415 /nfs/dbraw/zinc/70/74/15/644707415.db2.gz DBECOTUIIFYTQX-NOZJJQNGSA-N 0 1 297.782 2.593 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2CO)c1[O-] ZINC000880438887 644707419 /nfs/dbraw/zinc/70/74/19/644707419.db2.gz DBECOTUIIFYTQX-NOZJJQNGSA-N 0 1 297.782 2.593 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000211417084 644917804 /nfs/dbraw/zinc/91/78/04/644917804.db2.gz UVTZWQDHBMYJAQ-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN COC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211417084 644917808 /nfs/dbraw/zinc/91/78/08/644917808.db2.gz UVTZWQDHBMYJAQ-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000211417084 644917816 /nfs/dbraw/zinc/91/78/16/644917816.db2.gz UVTZWQDHBMYJAQ-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN C[C@H](NCc1cc(F)cc(F)c1O)C(=O)OC1CCCC1 ZINC000883027894 645569358 /nfs/dbraw/zinc/56/93/58/645569358.db2.gz SDGZCPCFPAQIEC-VIFPVBQESA-N 0 1 299.317 2.634 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000135211998 646493412 /nfs/dbraw/zinc/49/34/12/646493412.db2.gz CFKBAUPQPRZPSF-UWVGGRQHSA-N 0 1 255.745 2.560 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886551142 647043529 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[O-]c1cc(Cl)c(Cl)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001236063054 778675827 /nfs/dbraw/zinc/67/58/27/778675827.db2.gz FKINCXUMJHQWBM-UHFFFAOYSA-N 0 1 287.190 2.635 20 10 CFCDMN CCC[C@@H]1C[NH2+]CCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236132321 778707497 /nfs/dbraw/zinc/70/74/97/778707497.db2.gz IKTCDXPXJOTGJT-LLVKDONJSA-N 0 1 298.814 2.628 20 10 CFCDMN CN(Cc1cc(F)c(Cl)cc1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001236204574 778734085 /nfs/dbraw/zinc/73/40/85/778734085.db2.gz BOSBJTTTXAGDOM-CQSZACIVSA-N 0 1 286.778 2.759 20 10 CFCDMN CN(Cc1cc(F)c(Cl)cc1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001236204572 778734182 /nfs/dbraw/zinc/73/41/82/778734182.db2.gz BOSBJTTTXAGDOM-AWEZNQCLSA-N 0 1 286.778 2.759 20 10 CFCDMN CN(Cc1c([O-])ccc(F)c1Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001236206056 778735117 /nfs/dbraw/zinc/73/51/17/778735117.db2.gz ILZMLUPPNVUYPJ-AWEZNQCLSA-N 0 1 286.778 2.759 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238652 778748323 /nfs/dbraw/zinc/74/83/23/778748323.db2.gz BFUYAEOGRLLMCT-LBPRGKRZSA-N 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ZINC000294130016 382428043 /nfs/dbraw/zinc/42/80/43/382428043.db2.gz FJWCZDKVSUQNEV-MRXNPFEDSA-N 0 1 295.354 2.592 20 10 CFCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294130016 382428047 /nfs/dbraw/zinc/42/80/47/382428047.db2.gz FJWCZDKVSUQNEV-MRXNPFEDSA-N 0 1 295.354 2.592 20 10 CFCDMN COc1cccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000294202611 382458286 /nfs/dbraw/zinc/45/82/86/382458286.db2.gz XWBQMFORMHLKFC-IAGOWNOFSA-N 0 1 289.375 2.544 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000378538101 382479279 /nfs/dbraw/zinc/47/92/79/382479279.db2.gz ZZKJCYBEOINOKU-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN COC[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294256520 382479829 /nfs/dbraw/zinc/47/98/29/382479829.db2.gz QNFAGWRKHQHEDJ-AWEZNQCLSA-N 0 1 269.772 2.904 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+](C)CC2(CO)CC2)c1O ZINC000188962204 382513271 /nfs/dbraw/zinc/51/32/71/382513271.db2.gz PAKKQCICODTQDM-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN CS[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294434342 382513817 /nfs/dbraw/zinc/51/38/17/382513817.db2.gz PVVKMKULQBARMM-LBPRGKRZSA-N 0 1 283.368 2.671 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294434342 382513823 /nfs/dbraw/zinc/51/38/23/382513823.db2.gz PVVKMKULQBARMM-LBPRGKRZSA-N 0 1 283.368 2.671 20 10 CFCDMN CS[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000294434342 382513826 /nfs/dbraw/zinc/51/38/26/382513826.db2.gz PVVKMKULQBARMM-LBPRGKRZSA-N 0 1 283.368 2.671 20 10 CFCDMN CC[C@H](NCc1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000294897147 382543130 /nfs/dbraw/zinc/54/31/30/382543130.db2.gz WXXAHPDPVDRWEE-LBPRGKRZSA-N 0 1 274.368 2.875 20 10 CFCDMN CCN(CC)c1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000294838930 382534119 /nfs/dbraw/zinc/53/41/19/382534119.db2.gz QUHPYRIJDYSVIT-UHFFFAOYSA-N 0 1 299.422 2.818 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295295847 382610610 /nfs/dbraw/zinc/61/06/10/382610610.db2.gz JMDZQGPVYXSUEU-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN CCn1cc([C@@H](C)NCc2ccc3c(c2)CCO3)cn1 ZINC000268800745 384664579 /nfs/dbraw/zinc/66/45/79/384664579.db2.gz DETVVOVJGBQONA-GFCCVEGCSA-N 0 1 271.364 2.689 20 10 CFCDMN COc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1C ZINC000268850610 384675419 /nfs/dbraw/zinc/67/54/19/384675419.db2.gz PMQYAHLJJJNANC-AWEZNQCLSA-N 0 1 271.364 2.894 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000271108992 385338161 /nfs/dbraw/zinc/33/81/61/385338161.db2.gz COXDONZSHLGNBM-GOEBONIOSA-N 0 1 277.364 2.544 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000271108993 385338424 /nfs/dbraw/zinc/33/84/24/385338424.db2.gz COXDONZSHLGNBM-HOCLYGCPSA-N 0 1 277.364 2.544 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000271295806 385379356 /nfs/dbraw/zinc/37/93/56/385379356.db2.gz SEGGYCPYRRUKDK-TZMCWYRMSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000271295806 385379362 /nfs/dbraw/zinc/37/93/62/385379362.db2.gz SEGGYCPYRRUKDK-TZMCWYRMSA-N 0 1 299.823 2.752 20 10 CFCDMN COc1ccc(O)c(CN2CCOC3(CCCC3)C2)c1 ZINC000271841744 385393486 /nfs/dbraw/zinc/39/34/86/385393486.db2.gz QGDKFCMOFGTQSB-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN Cc1noc(C(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000284879745 385550389 /nfs/dbraw/zinc/55/03/89/385550389.db2.gz DYKXFOLHIHNLDG-UHFFFAOYSA-N 0 1 281.743 2.762 20 10 CFCDMN C[C@H](NCc1nccn1C)c1cc(Cl)ccc1O ZINC000273613419 385691497 /nfs/dbraw/zinc/69/14/97/385691497.db2.gz WTPVYBBCVFAFMG-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000287075600 385774801 /nfs/dbraw/zinc/77/48/01/385774801.db2.gz OIOXWJLQUMDZHO-UWVGGRQHSA-N 0 1 256.777 2.646 20 10 CFCDMN [O-]c1c(F)cccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000166374796 285380311 /nfs/dbraw/zinc/38/03/11/285380311.db2.gz FSCXSLPWTLEPGD-AWEZNQCLSA-N 0 1 278.371 2.592 20 10 CFCDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000108245187 393873869 /nfs/dbraw/zinc/87/38/69/393873869.db2.gz SPNYYVWMUMVGRY-UHFFFAOYSA-N 0 1 276.380 2.583 20 10 CFCDMN CCC(C)(C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109772292 393879643 /nfs/dbraw/zinc/87/96/43/393879643.db2.gz CEEXGGWSAQEPPU-GFCCVEGCSA-N 0 1 278.396 2.517 20 10 CFCDMN Cc1ccc([C@H](C)NCc2ncnn2C(C)(C)C)c(O)c1 ZINC000281922111 394094940 /nfs/dbraw/zinc/09/49/40/394094940.db2.gz AOIBUUCNEITMJU-LBPRGKRZSA-N 0 1 288.395 2.898 20 10 CFCDMN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654639 394232640 /nfs/dbraw/zinc/23/26/40/394232640.db2.gz ZHSKWHIMPWQKRS-BXUZGUMPSA-N 0 1 282.815 2.818 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccn1 ZINC000037362759 260095075 /nfs/dbraw/zinc/09/50/75/260095075.db2.gz MZUDXQFTQNPOBN-LBPRGKRZSA-N 0 1 254.333 2.867 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369669434 267258369 /nfs/dbraw/zinc/25/83/69/267258369.db2.gz ABGKYQFZTBGBFZ-TVQRCGJNSA-N 0 1 285.746 2.796 20 10 CFCDMN CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC000371335094 267392379 /nfs/dbraw/zinc/39/23/79/267392379.db2.gz IMVJXNUTDLAKAQ-NNQSOWQGSA-N 0 1 281.783 2.923 20 10 CFCDMN CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC000371335094 267392381 /nfs/dbraw/zinc/39/23/81/267392381.db2.gz IMVJXNUTDLAKAQ-NNQSOWQGSA-N 0 1 281.783 2.923 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000371331414 267392511 /nfs/dbraw/zinc/39/25/11/267392511.db2.gz HNYRREDTHQZSTE-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000371331414 267392513 /nfs/dbraw/zinc/39/25/13/267392513.db2.gz HNYRREDTHQZSTE-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN(C)C ZINC000291817735 289687636 /nfs/dbraw/zinc/68/76/36/289687636.db2.gz YVNXIHZTYPTTHQ-SECBINFHSA-N 0 1 291.222 2.986 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cnnn1CC)c1cc(Cl)ccc1[O-] ZINC000527913917 330294965 /nfs/dbraw/zinc/29/49/65/330294965.db2.gz CGTUVGCFFMYVBV-CYBMUJFWSA-N 0 1 294.786 2.898 20 10 CFCDMN CCn1nncc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000527920102 330295605 /nfs/dbraw/zinc/29/56/05/330295605.db2.gz MFDWKCDPVRBVQL-VIFPVBQESA-N 0 1 280.759 2.508 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000227082636 333275852 /nfs/dbraw/zinc/27/58/52/333275852.db2.gz ATTCZXPTJHCGEB-UHFFFAOYSA-N 0 1 299.798 2.843 20 10 CFCDMN COc1ccc(O)c(CN[C@@H](C)c2ncccc2F)c1 ZINC000529688130 333505856 /nfs/dbraw/zinc/50/58/56/333505856.db2.gz IRQOFQDWRIYKIO-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN CCC[C@H](C)C(=O)NCC[NH2+]Cc1c([O-])cccc1Cl ZINC000292684889 520998697 /nfs/dbraw/zinc/99/86/97/520998697.db2.gz NBPQOBAOFAYOQY-NSHDSACASA-N 0 1 298.814 2.688 20 10 CFCDMN CC[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])OC ZINC000289749225 522193622 /nfs/dbraw/zinc/19/36/22/522193622.db2.gz ICFPOWYJBLMRLT-LLVKDONJSA-N 0 1 288.185 2.669 20 10 CFCDMN CC(C)[C@@H](CCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000230689441 519793023 /nfs/dbraw/zinc/79/30/23/519793023.db2.gz CTQZTMGZRUDWLP-GFCCVEGCSA-N 0 1 257.761 2.542 20 10 CFCDMN CC(C)[C@H](CCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000230689444 519813864 /nfs/dbraw/zinc/81/38/64/519813864.db2.gz CTQZTMGZRUDWLP-LBPRGKRZSA-N 0 1 257.761 2.542 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278236330 521867928 /nfs/dbraw/zinc/86/79/28/521867928.db2.gz NKCVXSGCJUHCOV-ZJUUUORDSA-N 0 1 280.324 2.539 20 10 CFCDMN CC[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278291842 521971013 /nfs/dbraw/zinc/97/10/13/521971013.db2.gz UXRAKNQHVGYFKK-SNVBAGLBSA-N 0 1 282.340 2.787 20 10 CFCDMN CN(C)c1ccc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000248145941 522168591 /nfs/dbraw/zinc/16/85/91/522168591.db2.gz VTSBGFFWZUUWRO-UHFFFAOYSA-N 0 1 298.390 2.625 20 10 CFCDMN CN(CC(=O)NC1CCCCCC1)Cc1ccccc1O ZINC000264628502 522471326 /nfs/dbraw/zinc/47/13/26/522471326.db2.gz UHPYPDYQEGVHPB-UHFFFAOYSA-N 0 1 290.407 2.663 20 10 CFCDMN COC[C@H]1CCN1Cc1cc(Cl)cc(C)c1O ZINC000293738915 522851939 /nfs/dbraw/zinc/85/19/39/522851939.db2.gz VNZMACFPVMNDNE-GFCCVEGCSA-N 0 1 255.745 2.575 20 10 CFCDMN CN(CC[NH2+]Cc1c([O-])cccc1Cl)CC(F)(F)F ZINC000264972511 522867867 /nfs/dbraw/zinc/86/78/67/522867867.db2.gz RBNZWIXJVNYAPP-UHFFFAOYSA-N 0 1 296.720 2.629 20 10 CFCDMN COCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000156034593 522935137 /nfs/dbraw/zinc/93/51/37/522935137.db2.gz QWURUMXYDXUHKN-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000276424095 523962401 /nfs/dbraw/zinc/96/24/01/523962401.db2.gz GNUBZPVGICPNOY-MNOVXSKESA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000276424095 523962404 /nfs/dbraw/zinc/96/24/04/523962404.db2.gz GNUBZPVGICPNOY-MNOVXSKESA-N 0 1 297.782 2.677 20 10 CFCDMN COc1ccc(CNCc2cnccc2OC)cc1C ZINC000292591441 524073414 /nfs/dbraw/zinc/07/34/14/524073414.db2.gz GOJUCLVXEXNQMO-UHFFFAOYSA-N 0 1 272.348 2.697 20 10 CFCDMN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000292944238 524173857 /nfs/dbraw/zinc/17/38/57/524173857.db2.gz IBLVURPPGIECFQ-IINYFYTJSA-N 0 1 269.772 2.686 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)cc1F ZINC000292641575 524355501 /nfs/dbraw/zinc/35/55/01/524355501.db2.gz ZOXZNNSWNPKEMU-UHFFFAOYSA-N 0 1 278.331 2.712 20 10 CFCDMN C[C@@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000086625901 524777070 /nfs/dbraw/zinc/77/70/70/524777070.db2.gz AROJLGUMEBTZKD-NEPJUHHUSA-N 0 1 259.349 2.824 20 10 CFCDMN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(F)ccc1[O-] ZINC000185052688 525399628 /nfs/dbraw/zinc/39/96/28/525399628.db2.gz LPYRNXQYFPGOIN-LLVKDONJSA-N 0 1 295.354 2.868 20 10 CFCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cn[nH]c1 ZINC000229881529 525427968 /nfs/dbraw/zinc/42/79/68/525427968.db2.gz XCSAPVORPUEUBJ-QMMMGPOBSA-N 0 1 296.168 2.729 20 10 CFCDMN C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000191188462 525434497 /nfs/dbraw/zinc/43/44/97/525434497.db2.gz QGBPJOBCLWXRMS-LLVKDONJSA-N 0 1 284.350 2.807 20 10 CFCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC000290929622 526268920 /nfs/dbraw/zinc/26/89/20/526268920.db2.gz OUMDJTZENBDYCK-ZDUSSCGKSA-N 0 1 291.782 2.998 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228003985 526329574 /nfs/dbraw/zinc/32/95/74/526329574.db2.gz JTAKNAGFTQEZMZ-ZIAGYGMSSA-N 0 1 265.328 2.675 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC1CCOCC1 ZINC000266157141 526363515 /nfs/dbraw/zinc/36/35/15/526363515.db2.gz MKZLIEJAWIAYQQ-UHFFFAOYSA-N 0 1 299.798 2.721 20 10 CFCDMN C[C@H](C[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1)C(=O)[O-] ZINC000736581633 574060899 /nfs/dbraw/zinc/06/08/99/574060899.db2.gz BOAXIOUCPMABHK-LLVKDONJSA-N 0 1 289.375 2.566 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000733328886 574221814 /nfs/dbraw/zinc/22/18/14/574221814.db2.gz GJOWNOUATOFJDP-JTQLQIEISA-N 0 1 283.677 2.713 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000756442592 574237887 /nfs/dbraw/zinc/23/78/87/574237887.db2.gz FFILWZOUJQQUHI-JQWIXIFHSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000756531981 574244529 /nfs/dbraw/zinc/24/45/29/574244529.db2.gz CEBVPJZBDBDMEJ-KOLCDFICSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@@H]([NH2+]CCNc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000756646735 574255189 /nfs/dbraw/zinc/25/51/89/574255189.db2.gz OKYSYJFVARQXDL-SNVBAGLBSA-N 0 1 292.770 2.598 20 10 CFCDMN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756741190 574260369 /nfs/dbraw/zinc/26/03/69/574260369.db2.gz VZAZIFLJFISLCL-ZANVPECISA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Cl)ccc1[O-] ZINC000756756916 574260583 /nfs/dbraw/zinc/26/05/83/574260583.db2.gz AKERCOVJVJJDPX-LXIMFEHMSA-N 0 1 289.828 2.853 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ncccc2F)c1 ZINC000756769409 574261380 /nfs/dbraw/zinc/26/13/80/574261380.db2.gz QHVYJHUXKATIOS-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2ccn(C)n2)c(O)c1C ZINC000756780184 574262240 /nfs/dbraw/zinc/26/22/40/574262240.db2.gz WFMWONUIBLGXEK-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN Cn1cc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000742373429 574325725 /nfs/dbraw/zinc/32/57/25/574325725.db2.gz CWIWOOFHUHKEQG-UHFFFAOYSA-N 0 1 279.771 2.804 20 10 CFCDMN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000725849640 574330546 /nfs/dbraw/zinc/33/05/46/574330546.db2.gz SRPGPVBSFSDZSW-JTQLQIEISA-N 0 1 277.755 2.556 20 10 CFCDMN c1cc(CNCc2ccc3c(c2)CCO3)c2c(c1)OCCO2 ZINC000725852528 574331851 /nfs/dbraw/zinc/33/18/51/574331851.db2.gz DIGZMIXFUDGKTD-UHFFFAOYSA-N 0 1 297.354 2.683 20 10 CFCDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086756740 598151301 /nfs/dbraw/zinc/15/13/01/598151301.db2.gz WWKXVANNSGCAAE-SNVBAGLBSA-N 0 1 283.755 2.732 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc1C(C)C ZINC000832899679 601371560 /nfs/dbraw/zinc/37/15/60/601371560.db2.gz QJBFPXBVSLAKKP-MRXNPFEDSA-N 0 1 295.354 2.823 20 10 CFCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000135046814 605548062 /nfs/dbraw/zinc/54/80/62/605548062.db2.gz XGVUNUDPPZPEMS-ZDUSSCGKSA-N 0 1 277.364 2.715 20 10 CFCDMN COC(=O)C1(N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000093764756 617847308 /nfs/dbraw/zinc/84/73/08/617847308.db2.gz TZJCPNKLWFHESZ-UHFFFAOYSA-N 0 1 290.407 2.670 20 10 CFCDMN CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000040774056 618002453 /nfs/dbraw/zinc/00/24/53/618002453.db2.gz UIJSCCYXTFMQTM-LBPRGKRZSA-N 0 1 257.761 2.542 20 10 CFCDMN Cc1ccc2c(c1)nc(CNCc1ccccc1O)n2C ZINC000187584655 618150206 /nfs/dbraw/zinc/15/02/06/618150206.db2.gz DYQWNYNKVAJFEW-UHFFFAOYSA-N 0 1 281.359 2.877 20 10 CFCDMN CC[N@H+](CCOC)Cc1cc(Br)ccc1[O-] ZINC000076118457 618204004 /nfs/dbraw/zinc/20/40/04/618204004.db2.gz ZQERRYDGKMFCHF-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CC[N@@H+](CCOC)Cc1cc(Br)ccc1[O-] ZINC000076118457 618204006 /nfs/dbraw/zinc/20/40/06/618204006.db2.gz ZQERRYDGKMFCHF-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CO[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1C ZINC000189257443 618249324 /nfs/dbraw/zinc/24/93/24/618249324.db2.gz YXRLQMNIESRIDM-BMIGLBTASA-N 0 1 295.354 2.591 20 10 CFCDMN COc1cc(Cl)cc(CNCc2cccnc2F)c1O ZINC000793279093 618261354 /nfs/dbraw/zinc/26/13/54/618261354.db2.gz AGNZYIZRPCDPDP-UHFFFAOYSA-N 0 1 296.729 2.878 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000894050602 618290922 /nfs/dbraw/zinc/29/09/22/618290922.db2.gz QYPCFEYKVXNIKZ-NHYWBVRUSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000894050602 618290926 /nfs/dbraw/zinc/29/09/26/618290926.db2.gz QYPCFEYKVXNIKZ-NHYWBVRUSA-N 0 1 298.377 2.833 20 10 CFCDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1[O-] ZINC000894087559 618317301 /nfs/dbraw/zinc/31/73/01/618317301.db2.gz CXZSIMSOPXXAOQ-KGLIPLIRSA-N 0 1 296.361 2.729 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895150213 618392198 /nfs/dbraw/zinc/39/21/98/618392198.db2.gz HUNGGIGQBZTPNK-LBPRGKRZSA-N 0 1 269.772 2.783 20 10 CFCDMN CO[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000311078112 618405177 /nfs/dbraw/zinc/40/51/77/618405177.db2.gz WCKGJQTWNSVSIW-AWEZNQCLSA-N 0 1 269.772 2.950 20 10 CFCDMN OC[C@@H]1Cc2ccccc2N1Cc1ccc(F)c(F)c1O ZINC000895241783 618493687 /nfs/dbraw/zinc/49/36/87/618493687.db2.gz IBQYKPUJYWZLCR-LBPRGKRZSA-N 0 1 291.297 2.594 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000840891012 618726987 /nfs/dbraw/zinc/72/69/87/618726987.db2.gz QBDDKSGNPACDSF-MFKMUULPSA-N 0 1 298.814 2.999 20 10 CFCDMN CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1[O-] ZINC000925786764 619112337 /nfs/dbraw/zinc/11/23/37/619112337.db2.gz VYVPEKGZPMYTRB-OASPWFOLSA-N 0 1 268.788 2.694 20 10 CFCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840975646 619202914 /nfs/dbraw/zinc/20/29/14/619202914.db2.gz JGWPGRNFZAAWJY-ZDUSSCGKSA-N 0 1 296.798 2.535 20 10 CFCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840975646 619202916 /nfs/dbraw/zinc/20/29/16/619202916.db2.gz JGWPGRNFZAAWJY-ZDUSSCGKSA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1[O-] ZINC000840979490 619208835 /nfs/dbraw/zinc/20/88/35/619208835.db2.gz SHUHYWUOUALPOJ-FZMZJTMJSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000840979119 619208941 /nfs/dbraw/zinc/20/89/41/619208941.db2.gz RMJSBAUBOKDQHT-VXGBXAGGSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1ncoc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000893864081 619230714 /nfs/dbraw/zinc/23/07/14/619230714.db2.gz SAJKNKNLWYUCDN-UHFFFAOYSA-N 0 1 259.353 2.681 20 10 CFCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894572254 619421818 /nfs/dbraw/zinc/42/18/18/619421818.db2.gz FLTCYFKHAGUVTG-OAHLLOKOSA-N 0 1 285.334 2.797 20 10 CFCDMN CN(Cc1ncc[nH]1)Cc1c(O)ccc(Cl)c1F ZINC000894585988 619424933 /nfs/dbraw/zinc/42/49/33/619424933.db2.gz KBBMRADKZKIGLD-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597108 619428356 /nfs/dbraw/zinc/42/83/56/619428356.db2.gz VJGCKVOVYOXPLD-MFKMUULPSA-N 0 1 285.334 2.796 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894901999 619506789 /nfs/dbraw/zinc/50/67/89/619506789.db2.gz IGTTTYFDJQEKTB-RNCFNFMXSA-N 0 1 271.307 2.527 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000894903658 619508423 /nfs/dbraw/zinc/50/84/23/619508423.db2.gz AWDMBVDQUSRAEI-ZDUSSCGKSA-N 0 1 285.359 2.998 20 10 CFCDMN C[C@H](NCCCSc1nccs1)c1ncco1 ZINC000925103881 619536536 /nfs/dbraw/zinc/53/65/36/619536536.db2.gz TXOBUVHXQUCPMH-VIFPVBQESA-N 0 1 269.395 2.964 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000895572752 619557131 /nfs/dbraw/zinc/55/71/31/619557131.db2.gz LBBIKPRDYDVWLS-MRVPVSSYSA-N 0 1 261.699 2.976 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCc2ncncc2C1 ZINC000895724066 619591982 /nfs/dbraw/zinc/59/19/82/619591982.db2.gz NWDAYHJQVRZMPF-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779459 619605697 /nfs/dbraw/zinc/60/56/97/619605697.db2.gz PNKHAFOBEYLJFW-AOOOYVTPSA-N 0 1 287.787 2.980 20 10 CFCDMN Oc1c(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc2ccccc21 ZINC000895781438 619609419 /nfs/dbraw/zinc/60/94/19/619609419.db2.gz SSGLOYHXNSNMFC-XOKHGSTOSA-N 0 1 283.371 2.748 20 10 CFCDMN [O-]c1c(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc2ccccc21 ZINC000895781438 619609421 /nfs/dbraw/zinc/60/94/21/619609421.db2.gz SSGLOYHXNSNMFC-XOKHGSTOSA-N 0 1 283.371 2.748 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc2ccccc21 ZINC000895781438 619609423 /nfs/dbraw/zinc/60/94/23/619609423.db2.gz SSGLOYHXNSNMFC-XOKHGSTOSA-N 0 1 283.371 2.748 20 10 CFCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)o1 ZINC000182804728 625384057 /nfs/dbraw/zinc/38/40/57/625384057.db2.gz TVWLQUIMTCCPKI-UHFFFAOYSA-N 0 1 281.333 2.711 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1F ZINC000840995638 620103782 /nfs/dbraw/zinc/10/37/82/620103782.db2.gz AIWCVTWXZSKPGZ-LLVKDONJSA-N 0 1 282.359 2.577 20 10 CFCDMN CCOC(=O)[C@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000192505981 620234179 /nfs/dbraw/zinc/23/41/79/620234179.db2.gz HQFAZTYNGWOAQK-OAHLLOKOSA-N 0 1 291.391 2.927 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CC(CCO)C2)c(Cl)c1 ZINC000898010653 620316893 /nfs/dbraw/zinc/31/68/93/620316893.db2.gz NLPYPKOBUFNHQE-UHFFFAOYSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)NCc2csc(N)n2)c1 ZINC000902500056 621105829 /nfs/dbraw/zinc/10/58/29/621105829.db2.gz SPOKLALLCMFAMM-SECBINFHSA-N 0 1 263.366 2.590 20 10 CFCDMN Cc1ccc(O)c([C@H](C)NCc2csc(N)n2)c1 ZINC000902500057 621106008 /nfs/dbraw/zinc/10/60/08/621106008.db2.gz SPOKLALLCMFAMM-VIFPVBQESA-N 0 1 263.366 2.590 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000902539361 621113925 /nfs/dbraw/zinc/11/39/25/621113925.db2.gz UIUOQSITMVLPLT-OAHLLOKOSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000902539361 621113928 /nfs/dbraw/zinc/11/39/28/621113928.db2.gz UIUOQSITMVLPLT-OAHLLOKOSA-N 0 1 298.386 2.941 20 10 CFCDMN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000903212669 621289566 /nfs/dbraw/zinc/28/95/66/621289566.db2.gz JKRYIOBUWMJEIZ-QWRGUYRKSA-N 0 1 296.798 2.565 20 10 CFCDMN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000903393612 621352358 /nfs/dbraw/zinc/35/23/58/621352358.db2.gz QFACEOAUCSJIBB-AUTRQRHGSA-N 0 1 255.745 2.731 20 10 CFCDMN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903394947 621352996 /nfs/dbraw/zinc/35/29/96/621352996.db2.gz ILTSDBRSRDJDJE-AUTRQRHGSA-N 0 1 255.745 2.731 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000042812539 621485019 /nfs/dbraw/zinc/48/50/19/621485019.db2.gz RXCDDZVLKVXXPL-GFCCVEGCSA-N 0 1 255.745 2.704 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccnc1 ZINC000076275387 625578046 /nfs/dbraw/zinc/57/80/46/625578046.db2.gz OMKFBUMNXYAZAG-UHFFFAOYSA-N 0 1 293.164 2.840 20 10 CFCDMN CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H](C)O1 ZINC000164318383 622949572 /nfs/dbraw/zinc/94/95/72/622949572.db2.gz HSCZNWVMMGZJLN-JSGCOSHPSA-N 0 1 279.380 2.709 20 10 CFCDMN Cc1cc(CNCc2cc(Cl)ccc2O)on1 ZINC000044985811 622954520 /nfs/dbraw/zinc/95/45/20/622954520.db2.gz YEYPBGYOSCAYBL-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN CC(C)n1cncc1CN(C)Cc1ccccc1O ZINC000822443407 623104894 /nfs/dbraw/zinc/10/48/94/623104894.db2.gz SVEMEACSJXRLKD-UHFFFAOYSA-N 0 1 259.353 2.802 20 10 CFCDMN C[C@@H](NCc1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000171130738 623207194 /nfs/dbraw/zinc/20/71/94/623207194.db2.gz QAORTFWWYZBVKI-CQSZACIVSA-N 0 1 286.375 2.967 20 10 CFCDMN COc1ccc(CNCc2cc(C3CC3)nn2C)cc1C ZINC000823753127 623391924 /nfs/dbraw/zinc/39/19/24/623391924.db2.gz RMRRMQUVKKQSNJ-UHFFFAOYSA-N 0 1 285.391 2.904 20 10 CFCDMN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824541962 623519794 /nfs/dbraw/zinc/51/97/94/623519794.db2.gz LLRGRAFLAGCRDA-LLVKDONJSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824541962 623519796 /nfs/dbraw/zinc/51/97/96/623519796.db2.gz LLRGRAFLAGCRDA-LLVKDONJSA-N 0 1 297.782 2.739 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(CO)CC2)cc1Cl ZINC000824549016 623521855 /nfs/dbraw/zinc/52/18/55/623521855.db2.gz VGVDRNUEURWCCQ-UHFFFAOYSA-N 0 1 269.772 2.558 20 10 CFCDMN Cc1cc(O)c(CNCc2nnc(C(C)C)[nH]2)cc1C ZINC000824603358 623531416 /nfs/dbraw/zinc/53/14/16/623531416.db2.gz QFAAQRRERRAORJ-UHFFFAOYSA-N 0 1 274.368 2.540 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635839 623536391 /nfs/dbraw/zinc/53/63/91/623536391.db2.gz JOKVYNOXXBRARW-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824714420 623550156 /nfs/dbraw/zinc/55/01/56/623550156.db2.gz DUNMJVKXWUJNKG-LZWOXQAQSA-N 0 1 261.365 2.518 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000824815739 623571310 /nfs/dbraw/zinc/57/13/10/623571310.db2.gz YAWJFVUDOUDFDG-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000824815739 623571311 /nfs/dbraw/zinc/57/13/11/623571311.db2.gz YAWJFVUDOUDFDG-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCNC(=O)C(C)C)cc1Cl ZINC000824950940 623593456 /nfs/dbraw/zinc/59/34/56/623593456.db2.gz YQAGAJJBPUMNKH-UHFFFAOYSA-N 0 1 298.814 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCNC(=O)C(C)C)cc1Cl ZINC000824950940 623593461 /nfs/dbraw/zinc/59/34/61/623593461.db2.gz YQAGAJJBPUMNKH-UHFFFAOYSA-N 0 1 298.814 2.558 20 10 CFCDMN CCOc1ccc(O)c(CNCc2cnc(CC)o2)c1 ZINC000825078953 623623567 /nfs/dbraw/zinc/62/35/67/623623567.db2.gz HIUMISQXYQXCDQ-UHFFFAOYSA-N 0 1 276.336 2.631 20 10 CFCDMN CCOc1ccc(CNCc2cnc(CC)o2)c(O)c1 ZINC000825079236 623624171 /nfs/dbraw/zinc/62/41/71/623624171.db2.gz OQFNBIAPNKITEJ-UHFFFAOYSA-N 0 1 276.336 2.631 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC(C)C)cc1Cl ZINC000825130516 623636679 /nfs/dbraw/zinc/63/66/79/623636679.db2.gz BIPOGINSBWUJCO-GFCCVEGCSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C(C)(C)O)cc1Cl ZINC000825185958 623646745 /nfs/dbraw/zinc/64/67/45/623646745.db2.gz UKKZOHBFFIUMTI-SECBINFHSA-N 0 1 257.761 2.603 20 10 CFCDMN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825255205 623659320 /nfs/dbraw/zinc/65/93/20/623659320.db2.gz YPXGXUFKKPFRQV-OTYXRUKQSA-N 0 1 271.788 2.851 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338614 623676656 /nfs/dbraw/zinc/67/66/56/623676656.db2.gz RBZICHYQTLWHSZ-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338290 623677110 /nfs/dbraw/zinc/67/71/10/623677110.db2.gz NYQLZXZIXDVVBE-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCCO)cc1Cl ZINC000825364755 623681248 /nfs/dbraw/zinc/68/12/48/623681248.db2.gz BJGGTVNYYALKQI-JTQLQIEISA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC[C@@H]2C)cc1Cl ZINC000825430191 623691713 /nfs/dbraw/zinc/69/17/13/623691713.db2.gz UGMSTKANHYXRAW-LBPRGKRZSA-N 0 1 282.815 2.928 20 10 CFCDMN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825536900 623711033 /nfs/dbraw/zinc/71/10/33/623711033.db2.gz OPTVXOOAAWKTBL-AAOUONPWSA-N 0 1 269.772 2.771 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H]1C ZINC000825658596 623732459 /nfs/dbraw/zinc/73/24/59/623732459.db2.gz RPCKROVBVZCEMI-PWSUYJOCSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H]1C ZINC000825658596 623732464 /nfs/dbraw/zinc/73/24/64/623732464.db2.gz RPCKROVBVZCEMI-PWSUYJOCSA-N 0 1 297.782 2.737 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCO1 ZINC000825731293 623748037 /nfs/dbraw/zinc/74/80/37/623748037.db2.gz FRCLVPKXCHXXMK-UKRRQHHQSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])n(C)n1 ZINC000825816456 623757569 /nfs/dbraw/zinc/75/75/69/623757569.db2.gz RHTABTLDXHMVJC-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1Cl ZINC000825916620 623769295 /nfs/dbraw/zinc/76/92/95/623769295.db2.gz QUWGZXNEYYPRGZ-LLVKDONJSA-N 0 1 297.704 2.757 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1Cl 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NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816516562 632476379 /nfs/dbraw/zinc/47/63/79/632476379.db2.gz JPIRQUDHXKCREB-ZDUSSCGKSA-N 0 1 298.386 2.633 20 10 CFCDMN NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816516562 632476384 /nfs/dbraw/zinc/47/63/84/632476384.db2.gz JPIRQUDHXKCREB-ZDUSSCGKSA-N 0 1 298.386 2.633 20 10 CFCDMN CCC[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1O ZINC000816516622 632476982 /nfs/dbraw/zinc/47/69/82/632476982.db2.gz LMEIBURPMUPKKT-INIZCTEOSA-N 0 1 298.386 2.646 20 10 CFCDMN C[C@@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816519184 632478357 /nfs/dbraw/zinc/47/83/57/632478357.db2.gz BEXKYJWZOBHZAB-MRXNPFEDSA-N 0 1 257.333 2.502 20 10 CFCDMN C[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816519184 632478360 /nfs/dbraw/zinc/47/83/60/632478360.db2.gz BEXKYJWZOBHZAB-MRXNPFEDSA-N 0 1 257.333 2.502 20 10 CFCDMN CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816549713 632481805 /nfs/dbraw/zinc/48/18/05/632481805.db2.gz WOGGPSOPQGNFOM-JTQLQIEISA-N 0 1 286.778 2.616 20 10 CFCDMN CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])COC1 ZINC000816549456 632482008 /nfs/dbraw/zinc/48/20/08/632482008.db2.gz OPXHEOHDZBDZPU-UHFFFAOYSA-N 0 1 257.333 2.672 20 10 CFCDMN C[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])[S@@](C)=O ZINC000816563509 632485532 /nfs/dbraw/zinc/48/55/32/632485532.db2.gz AIFQWKRFGQTRAA-MPBGBICISA-N 0 1 291.416 2.792 20 10 CFCDMN CC(C)(O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816574038 632487792 /nfs/dbraw/zinc/48/77/92/632487792.db2.gz UHGYYKCZPJGFHA-UHFFFAOYSA-N 0 1 259.349 2.796 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816574398 632488130 /nfs/dbraw/zinc/48/81/30/632488130.db2.gz GHSBAOVWUYMOBA-MLGOLLRUSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816574398 632488134 /nfs/dbraw/zinc/48/81/34/632488134.db2.gz GHSBAOVWUYMOBA-MLGOLLRUSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H](O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816594154 632491107 /nfs/dbraw/zinc/49/11/07/632491107.db2.gz RGZLYDVVFIKRSC-GFCCVEGCSA-N 0 1 259.349 2.796 20 10 CFCDMN C[S@@](=O)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816599230 632492004 /nfs/dbraw/zinc/49/20/04/632492004.db2.gz GSLVEUBIRCBRFV-HXUWFJFHSA-N 0 1 289.400 2.546 20 10 CFCDMN [O-]c1c(C[NH2+]CCC2(O)CCC2)ccc2ccccc21 ZINC000816603517 632493000 /nfs/dbraw/zinc/49/30/00/632493000.db2.gz JQAWNZCNWSBLFP-UHFFFAOYSA-N 0 1 271.360 2.940 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000816616581 632495398 /nfs/dbraw/zinc/49/53/98/632495398.db2.gz AJAILYHGUJUKHV-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN CCN(CC)c1ccc(CN2CC[C@@H]2COC)cc1F ZINC000816636838 632498791 /nfs/dbraw/zinc/49/87/91/632498791.db2.gz JHQUIURFJVUSCW-CQSZACIVSA-N 0 1 280.387 2.893 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000816647840 632502978 /nfs/dbraw/zinc/50/29/78/632502978.db2.gz YWTAKYPSBODSIM-IUCAKERBSA-N 0 1 255.745 2.894 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@H](C)[C@H]2C)c1O ZINC000816647839 632503577 /nfs/dbraw/zinc/50/35/77/632503577.db2.gz YWTAKYPSBODSIM-DTWKUNHWSA-N 0 1 255.745 2.894 20 10 CFCDMN Oc1ccc(F)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667035 632508661 /nfs/dbraw/zinc/50/86/61/632508661.db2.gz AOGHHKPIHIRVHR-HNNXBMFYSA-N 0 1 279.355 2.922 20 10 CFCDMN CCN(CC)c1ccc(CN2CC3(C2)CCOC3)cc1F ZINC000816670057 632509691 /nfs/dbraw/zinc/50/96/91/632509691.db2.gz KWTZSZMHCYUMTH-UHFFFAOYSA-N 0 1 292.398 2.894 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667678 632510485 /nfs/dbraw/zinc/51/04/85/632510485.db2.gz UFCPMDBESJJSSL-VIFPVBQESA-N 0 1 273.735 2.532 20 10 CFCDMN CCc1nocc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845972531 632606884 /nfs/dbraw/zinc/60/68/84/632606884.db2.gz RJDUMHZUDNTZSX-SNVBAGLBSA-N 0 1 276.336 2.802 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007414 632611925 /nfs/dbraw/zinc/61/19/25/632611925.db2.gz HINDFUDSRNOSJM-UHFFFAOYSA-N 0 1 281.783 2.783 20 10 CFCDMN C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413590 632625892 /nfs/dbraw/zinc/62/58/92/632625892.db2.gz ZWWWXMNQZGBZOB-KGLIPLIRSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817413590 632625894 /nfs/dbraw/zinc/62/58/94/632625894.db2.gz ZWWWXMNQZGBZOB-KGLIPLIRSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846109498 632633398 /nfs/dbraw/zinc/63/33/98/632633398.db2.gz DZGMIANZRGGJRQ-QMMMGPOBSA-N 0 1 278.179 2.902 20 10 CFCDMN COc1cccc([C@@H](C)N[C@H](CCO)c2ccco2)c1O ZINC000846164801 632650925 /nfs/dbraw/zinc/65/09/25/632650925.db2.gz RHNGAORSZPJYGX-DGCLKSJQSA-N 0 1 291.347 2.768 20 10 CFCDMN CCc1ncc(CN[C@H](C)c2cccc(OC)c2O)o1 ZINC000846167771 632651639 /nfs/dbraw/zinc/65/16/39/632651639.db2.gz DJOJIDJOHOSALC-SNVBAGLBSA-N 0 1 276.336 2.802 20 10 CFCDMN Cc1cc(C[N@H+](C)[C@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846224213 632668901 /nfs/dbraw/zinc/66/89/01/632668901.db2.gz HCFKXZRGVWPSBK-CQSZACIVSA-N 0 1 290.407 2.890 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000846269830 632678041 /nfs/dbraw/zinc/67/80/41/632678041.db2.gz QJVDPSLJVXNDFM-UHFFFAOYSA-N 0 1 278.396 2.828 20 10 CFCDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(C)c1 ZINC000846265747 632678238 /nfs/dbraw/zinc/67/82/38/632678238.db2.gz QBTDQARLDBZKKW-UHFFFAOYSA-N 0 1 290.407 2.892 20 10 CFCDMN Cc1cc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])ccc1N(C)C ZINC000846273906 632679015 /nfs/dbraw/zinc/67/90/15/632679015.db2.gz GCEJVLXFEWGQPO-MRXNPFEDSA-N 0 1 292.423 2.992 20 10 CFCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CC)cc1 ZINC000846279327 632682607 /nfs/dbraw/zinc/68/26/07/632682607.db2.gz ZJUWMIKTPXEUAP-CYBMUJFWSA-N 0 1 278.396 2.828 20 10 CFCDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881469 632717307 /nfs/dbraw/zinc/71/73/07/632717307.db2.gz UNGVDTBIRIPWHJ-DGCLKSJQSA-N 0 1 294.370 2.577 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC000817881466 632717485 /nfs/dbraw/zinc/71/74/85/632717485.db2.gz UJCOAMOJLYSVSE-QWHCGFSZSA-N 0 1 277.364 2.694 20 10 CFCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881471 632717578 /nfs/dbraw/zinc/71/75/78/632717578.db2.gz UNGVDTBIRIPWHJ-YPMHNXCESA-N 0 1 294.370 2.577 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000817881465 632717606 /nfs/dbraw/zinc/71/76/06/632717606.db2.gz UJCOAMOJLYSVSE-OLZOCXBDSA-N 0 1 277.364 2.694 20 10 CFCDMN CC(C)n1cncc1CNCc1ccc2c(c1)CCO2 ZINC000818190442 632810293 /nfs/dbraw/zinc/81/02/93/632810293.db2.gz FRUDJYQKESBPIN-UHFFFAOYSA-N 0 1 271.364 2.689 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000857061267 635921876 /nfs/dbraw/zinc/92/18/76/635921876.db2.gz NIRUCONCBWIKLF-KOLCDFICSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1CO ZINC000857061560 635922292 /nfs/dbraw/zinc/92/22/92/635922292.db2.gz RYJJRPYCEYLHMU-ONGXEEELSA-N 0 1 287.762 2.635 20 10 CFCDMN CCc1cccc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000848914766 633399175 /nfs/dbraw/zinc/39/91/75/633399175.db2.gz NLFXRTNNKCECBT-BXUZGUMPSA-N 0 1 271.364 2.947 20 10 CFCDMN CCc1cccc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000848914772 633399308 /nfs/dbraw/zinc/39/93/08/633399308.db2.gz NLFXRTNNKCECBT-SMDDNHRTSA-N 0 1 271.364 2.947 20 10 CFCDMN C[C@H](O)C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000848928449 633410637 /nfs/dbraw/zinc/41/06/37/633410637.db2.gz DOTPRBRHSLRDAU-QMMMGPOBSA-N 0 1 273.735 2.530 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C[C@H](C)O)C2CC2)c(Cl)c1 ZINC000848928834 633412545 /nfs/dbraw/zinc/41/25/45/633412545.db2.gz OZLFHAYNHIQYLX-JTQLQIEISA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C[C@H](C)O)C2CC2)c(Cl)c1 ZINC000848928834 633412547 /nfs/dbraw/zinc/41/25/47/633412547.db2.gz OZLFHAYNHIQYLX-JTQLQIEISA-N 0 1 269.772 2.699 20 10 CFCDMN COC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000850350367 633949717 /nfs/dbraw/zinc/94/97/17/633949717.db2.gz AVYTULFKBQMXBE-AWEZNQCLSA-N 0 1 299.798 2.577 20 10 CFCDMN CN(C)c1ccc(CN[C@H]2CCCn3nccc32)cc1F ZINC000850431189 633989766 /nfs/dbraw/zinc/98/97/66/633989766.db2.gz UJOUAMYOCNJSJD-AWEZNQCLSA-N 0 1 288.370 2.713 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000858183949 636149648 /nfs/dbraw/zinc/14/96/48/636149648.db2.gz GKQNYGCBUAYZQR-DYLAAIIWSA-N 0 1 298.180 2.564 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)c(O)c1C ZINC000850498717 634018326 /nfs/dbraw/zinc/01/83/26/634018326.db2.gz CAIWFPQDEOQDQU-JKOKRWQUSA-N 0 1 286.379 2.957 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850512824 634024832 /nfs/dbraw/zinc/02/48/32/634024832.db2.gz AHVUKRMVYCZYDW-UWVGGRQHSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1(CO)CC1 ZINC000850512826 634025143 /nfs/dbraw/zinc/02/51/43/634025143.db2.gz AHVUKRMVYCZYDW-VHSXEESVSA-N 0 1 269.772 2.857 20 10 CFCDMN CC[C@@H](NCc1cn(CC)nn1)c1ccc(C)cc1O ZINC000850522714 634029745 /nfs/dbraw/zinc/02/97/45/634029745.db2.gz XMIXCHPKCMYZNG-CQSZACIVSA-N 0 1 274.368 2.553 20 10 CFCDMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000858165570 636144726 /nfs/dbraw/zinc/14/47/26/636144726.db2.gz JZVAFGXRHWZPGW-BDAKNGLRSA-N 0 1 288.185 2.668 20 10 CFCDMN C[C@@H]([NH2+]CCOCCF)c1ccc(Cl)cc1[O-] ZINC000853236769 634947674 /nfs/dbraw/zinc/94/76/74/634947674.db2.gz GWVCFYQACQWPAD-SECBINFHSA-N 0 1 261.724 2.682 20 10 CFCDMN CN(CC[S@@](=O)c1ccccc1)Cc1ccccc1O ZINC000111235835 634963382 /nfs/dbraw/zinc/96/33/82/634963382.db2.gz PQTCNZARXOWHRY-FQEVSTJZSA-N 0 1 289.400 2.632 20 10 CFCDMN COc1cc(C)cc(CN2CCO[C@@](C)(C3CC3)C2)c1O ZINC000853527543 635028071 /nfs/dbraw/zinc/02/80/71/635028071.db2.gz ADARGKVXVABYCX-QGZVFWFLSA-N 0 1 291.391 2.710 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575899 635039655 /nfs/dbraw/zinc/03/96/55/635039655.db2.gz LUXYMAAQYGANFH-CHWSQXEVSA-N 0 1 254.333 2.782 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575899 635039660 /nfs/dbraw/zinc/03/96/60/635039660.db2.gz LUXYMAAQYGANFH-CHWSQXEVSA-N 0 1 254.333 2.782 20 10 CFCDMN COc1ccc(CNCc2ccnc(F)c2)cc1C ZINC000858120683 636133182 /nfs/dbraw/zinc/13/31/82/636133182.db2.gz JFYDQDNAOVXJCQ-UHFFFAOYSA-N 0 1 260.312 2.828 20 10 CFCDMN CC[C@H](NCc1cnnn1CC)c1ccc(N(C)C)cc1 ZINC000858440119 636240950 /nfs/dbraw/zinc/24/09/50/636240950.db2.gz MCFGOROCMAXLKL-INIZCTEOSA-N 0 1 287.411 2.605 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858544591 636287152 /nfs/dbraw/zinc/28/71/52/636287152.db2.gz YQPOFXPTNXJZMD-SUZMYJTESA-N 0 1 269.772 2.857 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2ccnc(F)c2)cc1 ZINC000859067602 636438579 /nfs/dbraw/zinc/43/85/79/636438579.db2.gz KIZABRXIXAKIDQ-UHFFFAOYSA-N 0 1 273.355 2.919 20 10 CFCDMN CCC1(CC)CN(Cc2ccccc2O)CC[S@@]1=O ZINC000187561368 650261273 /nfs/dbraw/zinc/26/12/73/650261273.db2.gz CXZNHGUPFVAMIX-IBGZPJMESA-N 0 1 281.421 2.515 20 10 CFCDMN COc1ccc(CNCc2cccc(C)n2)cc1C ZINC000048329851 650263034 /nfs/dbraw/zinc/26/30/34/650263034.db2.gz VYVLTCVVNKAEKX-UHFFFAOYSA-N 0 1 256.349 2.997 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](CCF)C1 ZINC000862529809 637409493 /nfs/dbraw/zinc/40/94/93/637409493.db2.gz HQHYRCXYARSIDL-MRXNPFEDSA-N 0 1 280.387 2.621 20 10 CFCDMN Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000873190186 642057104 /nfs/dbraw/zinc/05/71/04/642057104.db2.gz WZDKZIHIQLXEDC-SNVBAGLBSA-N 0 1 277.755 2.995 20 10 CFCDMN O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000086755135 650797419 /nfs/dbraw/zinc/79/74/19/650797419.db2.gz NIHZDFONWDNAJI-CYBMUJFWSA-N 0 1 263.337 2.612 20 10 CFCDMN Cc1ccc(CN2CCN(Cc3ccco3)CC2)c(O)c1 ZINC000876553770 642919334 /nfs/dbraw/zinc/91/93/34/642919334.db2.gz XMBBFLLJVCQWFY-UHFFFAOYSA-N 0 1 286.375 2.611 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000876789766 643008684 /nfs/dbraw/zinc/00/86/84/643008684.db2.gz IUVZRDVPVRNUBP-NSHDSACASA-N 0 1 273.323 2.509 20 10 CFCDMN COC(=O)[C@H]1CCCCCN1Cc1ccc(C)cc1O ZINC000877187861 643195751 /nfs/dbraw/zinc/19/57/51/643195751.db2.gz KKLBYIPCYZZKQW-CQSZACIVSA-N 0 1 277.364 2.618 20 10 CFCDMN 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/nfs/dbraw/zinc/14/57/69/779145769.db2.gz UYVPNDBTGUKVJE-UHFFFAOYSA-N 0 1 297.761 2.859 20 10 CFCDMN Cc1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])n(C)n1 ZINC001237621105 779145772 /nfs/dbraw/zinc/14/57/72/779145772.db2.gz UYVPNDBTGUKVJE-UHFFFAOYSA-N 0 1 297.761 2.859 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001237623731 779147546 /nfs/dbraw/zinc/14/75/46/779147546.db2.gz UFEYJRXFGMBRBB-ZDUSSCGKSA-N 0 1 271.719 2.550 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001237623731 779147548 /nfs/dbraw/zinc/14/75/48/779147548.db2.gz UFEYJRXFGMBRBB-ZDUSSCGKSA-N 0 1 271.719 2.550 20 10 CFCDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624111 779147552 /nfs/dbraw/zinc/14/75/52/779147552.db2.gz YRBATHNQVOCXTA-CYBMUJFWSA-N 0 1 298.789 2.853 20 10 CFCDMN COc1cc(CN2CC[C@@H](C)[C@H](F)C2)c(O)c(OC)c1 ZINC001237674676 779158946 /nfs/dbraw/zinc/15/89/46/779158946.db2.gz LFBGAXFVQVGYHQ-ZWNOBZJWSA-N 0 1 283.343 2.589 20 10 CFCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686854 779160877 /nfs/dbraw/zinc/16/08/77/779160877.db2.gz QJGLBYXEVTVYFW-NSHDSACASA-N 0 1 297.782 2.739 20 10 CFCDMN Cc1cc(Cl)cc(CN2CC[C@]23CCOC3)c1O ZINC001237690444 779162574 /nfs/dbraw/zinc/16/25/74/779162574.db2.gz XSYGBUGQVGUSCB-CQSZACIVSA-N 0 1 267.756 2.719 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)cc(Cl)c2O)C[C@H](C)O1 ZINC001237798310 779180455 /nfs/dbraw/zinc/18/04/55/779180455.db2.gz DLJNNISEGPATFY-IUCAKERBSA-N 0 1 273.735 2.794 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001237807512 779184085 /nfs/dbraw/zinc/18/40/85/779184085.db2.gz KYFAAEPVMKWUOH-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@H]1O ZINC001237809012 779186086 /nfs/dbraw/zinc/18/60/86/779186086.db2.gz YNPCWTFKIXWGBK-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN CC[N@@H+](CCC(=O)OC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941269 779210823 /nfs/dbraw/zinc/21/08/23/779210823.db2.gz UPAYGDWUPBKNAT-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN Oc1cc(Cl)c(F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237936355 779211444 /nfs/dbraw/zinc/21/14/44/779211444.db2.gz JARSPLRLMHXZOP-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237936355 779211446 /nfs/dbraw/zinc/21/14/46/779211446.db2.gz JARSPLRLMHXZOP-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237936355 779211449 /nfs/dbraw/zinc/21/14/49/779211449.db2.gz JARSPLRLMHXZOP-GFCCVEGCSA-N 0 1 298.789 2.855 20 10 CFCDMN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001237935215 779212099 /nfs/dbraw/zinc/21/20/99/779212099.db2.gz RODFNJQMGVCKCZ-XYPYZODXSA-N 0 1 287.762 2.920 20 10 CFCDMN COc1cc(CN2CCC(F)(F)CC2)c(O)c(OC)c1 ZINC001237675023 779704637 /nfs/dbraw/zinc/70/46/37/779704637.db2.gz QCNISPFUIGZTPU-UHFFFAOYSA-N 0 1 287.306 2.641 20 10 CFCDMN CCc1cccc(CN2CCO[C@@H](CCF)C2)c1O ZINC000700559256 780698865 /nfs/dbraw/zinc/69/88/65/780698865.db2.gz LQVVPIGXYNFXRW-AWEZNQCLSA-N 0 1 267.344 2.515 20 10 CFCDMN CCC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700861843 780733719 /nfs/dbraw/zinc/73/37/19/780733719.db2.gz LQMWDRYVUCPOGT-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CCC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700861843 780733726 /nfs/dbraw/zinc/73/37/26/780733726.db2.gz LQMWDRYVUCPOGT-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CCc1nn(C)cc1NCc1ccc(F)c(F)c1O ZINC000703216807 780998862 /nfs/dbraw/zinc/99/88/62/780998862.db2.gz ZPNXUTLLJROMGJ-UHFFFAOYSA-N 0 1 267.279 2.578 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CC1 ZINC000706808339 781203804 /nfs/dbraw/zinc/20/38/04/781203804.db2.gz JRDJYYHXGCOYBA-UHFFFAOYSA-N 0 1 256.143 2.654 20 10 CFCDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000708411903 781273835 /nfs/dbraw/zinc/27/38/35/781273835.db2.gz DELFMMAYFWTWNX-SKDRFNHKSA-N 0 1 271.307 2.670 20 10 CFCDMN COc1cccc(CN2CCOCC23CCCC3)c1O ZINC000093840689 347686434 /nfs/dbraw/zinc/68/64/34/347686434.db2.gz XNMHKLKKXHTHGZ-UHFFFAOYSA-N 0 1 277.364 2.546 20 10 CFCDMN COC(=O)CC[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000271815347 291022773 /nfs/dbraw/zinc/02/27/73/291022773.db2.gz MNWHSFFVNZZGKV-UHFFFAOYSA-N 0 1 285.771 2.819 20 10 CFCDMN CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294222953 540132617 /nfs/dbraw/zinc/13/26/17/540132617.db2.gz YYSRSWSWAGXHCN-ROUUACIJSA-N 0 1 286.419 2.896 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCO)C1CCCC1 ZINC000294802836 199190139 /nfs/dbraw/zinc/19/01/39/199190139.db2.gz DKZZPCHQPCJRHQ-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN COC(=O)[C@@H]1CCCCCN1Cc1cccc(C)c1O ZINC000360015743 291311198 /nfs/dbraw/zinc/31/11/98/291311198.db2.gz LUJYMYDCNZUQPR-AWEZNQCLSA-N 0 1 277.364 2.618 20 10 CFCDMN COc1cccc(CN(C)Cc2ccoc2C)c1O ZINC000092438712 375112639 /nfs/dbraw/zinc/11/26/39/375112639.db2.gz NQGDFGHPVHCZQG-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@H](CC)C2)c1 ZINC000092487542 375115837 /nfs/dbraw/zinc/11/58/37/375115837.db2.gz SAMXCEHKXZDTEY-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841737 375321402 /nfs/dbraw/zinc/32/14/02/375321402.db2.gz CXZUVFINUUVYBK-MRXNPFEDSA-N 0 1 273.332 2.867 20 10 CFCDMN CN(C)c1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000093588769 375270436 /nfs/dbraw/zinc/27/04/36/375270436.db2.gz DDISWJQYEPUZMG-UHFFFAOYSA-N 0 1 274.408 2.898 20 10 CFCDMN CN(C)C1(C[N@@H+](C)Cc2cccc(Cl)c2[O-])CCC1 ZINC000097934097 375587848 /nfs/dbraw/zinc/58/78/48/375587848.db2.gz RVDGRYOOZPXJIJ-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000124561486 377062325 /nfs/dbraw/zinc/06/23/25/377062325.db2.gz RVBGKHPLQYXVPZ-STQMWFEESA-N 0 1 267.756 2.799 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000124575367 377065235 /nfs/dbraw/zinc/06/52/35/377065235.db2.gz OMSFENCYKRPVSV-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000130910332 377629586 /nfs/dbraw/zinc/62/95/86/377629586.db2.gz VHCCUPYASFHNIP-JLTOFOAXSA-N 0 1 296.480 2.732 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@@H](CC)C2)c(O)c1 ZINC000132020539 377791864 /nfs/dbraw/zinc/79/18/64/377791864.db2.gz IBDIFGHBSKEXBY-AWEZNQCLSA-N 0 1 279.380 2.792 20 10 CFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000132035848 377793960 /nfs/dbraw/zinc/79/39/60/377793960.db2.gz BIJPHVYZNSOHAL-KRWDZBQOSA-N 0 1 274.408 2.898 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)c(O)c1 ZINC000132776677 377876055 /nfs/dbraw/zinc/87/60/55/377876055.db2.gz SVRSWQRFROYZRO-DOTOQJQBSA-N 0 1 291.391 2.934 20 10 CFCDMN CC(C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132486424 377846108 /nfs/dbraw/zinc/84/61/08/377846108.db2.gz YMGBEVSWVRQVNO-UHFFFAOYSA-N 0 1 258.159 2.995 20 10 CFCDMN CC(C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132486424 377846111 /nfs/dbraw/zinc/84/61/11/377846111.db2.gz YMGBEVSWVRQVNO-UHFFFAOYSA-N 0 1 258.159 2.995 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000135270863 378108089 /nfs/dbraw/zinc/10/80/89/378108089.db2.gz VLHKXIZHYPEUNC-UHFFFAOYSA-N 0 1 265.328 2.966 20 10 CFCDMN COc1cccc([C@@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000179570160 380558715 /nfs/dbraw/zinc/55/87/15/380558715.db2.gz DPPWWMKEYPPSNH-SFHVURJKSA-N 0 1 299.370 2.974 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179749798 380576415 /nfs/dbraw/zinc/57/64/15/380576415.db2.gz BAWMWIDPAWWETD-LLVKDONJSA-N 0 1 255.745 2.656 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180199276 380632599 /nfs/dbraw/zinc/63/25/99/380632599.db2.gz NLVXRQBHOUGLSL-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180158947 380626532 /nfs/dbraw/zinc/62/65/32/380626532.db2.gz BJFOCRIEHDGYNN-GFCCVEGCSA-N 0 1 267.344 2.780 20 10 CFCDMN C[N@@H+](CCC1CCOCC1)Cc1cc(F)ccc1O ZINC000180186425 380629399 /nfs/dbraw/zinc/62/93/99/380629399.db2.gz GDJIZSNRMRCJFZ-UHFFFAOYSA-N 0 1 267.344 2.780 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](C)CCc2ccncc2)c1 ZINC000183757965 381314955 /nfs/dbraw/zinc/31/49/55/381314955.db2.gz DKEDDWFXIYVDGZ-UHFFFAOYSA-N 0 1 286.375 2.860 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1O ZINC000184701208 381463702 /nfs/dbraw/zinc/46/37/02/381463702.db2.gz PFNAGVVCXGATGN-JTQLQIEISA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000184701208 381463711 /nfs/dbraw/zinc/46/37/11/381463711.db2.gz PFNAGVVCXGATGN-JTQLQIEISA-N 0 1 285.771 2.523 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000184701208 381463717 /nfs/dbraw/zinc/46/37/17/381463717.db2.gz PFNAGVVCXGATGN-JTQLQIEISA-N 0 1 285.771 2.523 20 10 CFCDMN COCCC1(C)CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000297455710 381561439 /nfs/dbraw/zinc/56/14/39/381561439.db2.gz RDBNJHYZOJIPSW-UHFFFAOYSA-N 0 1 280.387 2.750 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)n[nH]1 ZINC000186131661 381830114 /nfs/dbraw/zinc/83/01/14/381830114.db2.gz ZBPPQMHBZPDLPM-MWLCHTKSSA-N 0 1 277.343 2.845 20 10 CFCDMN C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000292865142 381872757 /nfs/dbraw/zinc/87/27/57/381872757.db2.gz VRSOUTMLYOPBFF-HNNXBMFYSA-N 0 1 280.799 2.573 20 10 CFCDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000376536028 382141012 /nfs/dbraw/zinc/14/10/12/382141012.db2.gz SKLTUMQUKGLERH-CQSZACIVSA-N 0 1 289.354 2.774 20 10 CFCDMN COCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000293720457 382248772 /nfs/dbraw/zinc/24/87/72/382248772.db2.gz PNUUUIYIYNPICK-JTQLQIEISA-N 0 1 255.333 2.855 20 10 CFCDMN C[C@@H]1[N@@H+](Cc2cccc(F)c2[O-])CCC12CCOCC2 ZINC000363870659 382249296 /nfs/dbraw/zinc/24/92/96/382249296.db2.gz WNSSYJREYHQRTP-LBPRGKRZSA-N 0 1 279.355 2.922 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000364513281 382322694 /nfs/dbraw/zinc/32/26/94/382322694.db2.gz ZYENSIMMPLJLHR-DTORHVGOSA-N 0 1 271.719 2.548 20 10 CFCDMN CCC[N@@H+](Cc1ccnc(OC)n1)Cc1ccccc1O ZINC000294965309 382555165 /nfs/dbraw/zinc/55/51/65/382555165.db2.gz WLRGNWZWJDNLRI-UHFFFAOYSA-N 0 1 287.363 2.603 20 10 CFCDMN COC(=O)CN(Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000295236647 382595696 /nfs/dbraw/zinc/59/56/96/382595696.db2.gz DLMLGVAWPSYYIR-UHFFFAOYSA-N 0 1 289.734 2.568 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](CC(C)(C)O)C2CC2)c1 ZINC000189946009 382646508 /nfs/dbraw/zinc/64/65/08/382646508.db2.gz BWBCOTQLIOVTRI-UHFFFAOYSA-N 0 1 279.380 2.526 20 10 CFCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)C ZINC000266605174 384206188 /nfs/dbraw/zinc/20/61/88/384206188.db2.gz FRJATUIJIBJDHT-CYBMUJFWSA-N 0 1 257.761 2.806 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCCOC(C)C)c1[O-] ZINC000267460333 384395799 /nfs/dbraw/zinc/39/57/99/384395799.db2.gz RLJVCCYVTNHOCD-UHFFFAOYSA-N 0 1 297.370 2.981 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CCCOC(C)C)c1[O-] ZINC000267460333 384395801 /nfs/dbraw/zinc/39/58/01/384395801.db2.gz RLJVCCYVTNHOCD-UHFFFAOYSA-N 0 1 297.370 2.981 20 10 CFCDMN CC[C@@H](NCc1nccn1C)c1ccc(N(C)C)cc1 ZINC000268832953 384672722 /nfs/dbraw/zinc/67/27/22/384672722.db2.gz CRXRYYPOSKIQRY-OAHLLOKOSA-N 0 1 272.396 2.727 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@@H](C)C1 ZINC000282389875 385299338 /nfs/dbraw/zinc/29/93/38/385299338.db2.gz RCEWIMDGCSUYBB-CMPLNLGQSA-N 0 1 253.317 2.531 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n(C)n1 ZINC000284242431 385547539 /nfs/dbraw/zinc/54/75/39/385547539.db2.gz IEJZOSMPLYASMA-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN CCC[C@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCOC1 ZINC000285763647 385557253 /nfs/dbraw/zinc/55/72/53/385557253.db2.gz ZPYXDEFNDUQWCK-INIZCTEOSA-N 0 1 295.354 2.783 20 10 CFCDMN CCOc1ccc(O)c(CN(C)Cc2ccccn2)c1 ZINC000273441457 385683103 /nfs/dbraw/zinc/68/31/03/385683103.db2.gz WMQKRXZQHOMUPT-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C)c2nncn2C)c(O)c1C ZINC000273556363 385687371 /nfs/dbraw/zinc/68/73/71/385687371.db2.gz GZYQEVMXLNOOFS-NWDGAFQWSA-N 0 1 274.368 2.549 20 10 CFCDMN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273553537 385687497 /nfs/dbraw/zinc/68/74/97/385687497.db2.gz GLCUGFVWNBXRKB-STQMWFEESA-N 0 1 296.374 2.876 20 10 CFCDMN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000273790690 385696000 /nfs/dbraw/zinc/69/60/00/385696000.db2.gz UJGOWDNHDJIBGI-NXEZZACHSA-N 0 1 285.771 2.723 20 10 CFCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000218994046 393760190 /nfs/dbraw/zinc/76/01/90/393760190.db2.gz KJVFSPALRFMUNW-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000218994046 393760193 /nfs/dbraw/zinc/76/01/93/393760193.db2.gz KJVFSPALRFMUNW-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccccc1O ZINC000109773313 393879807 /nfs/dbraw/zinc/87/98/07/393879807.db2.gz LTMWJUZPTMEENV-CQSZACIVSA-N 0 1 298.386 2.529 20 10 CFCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cnccn1 ZINC000122930141 393973505 /nfs/dbraw/zinc/97/35/05/393973505.db2.gz YDGAWTBWVNGJCY-CYBMUJFWSA-N 0 1 282.391 2.710 20 10 CFCDMN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654654 394232834 /nfs/dbraw/zinc/23/28/34/394232834.db2.gz ZHSKWHIMPWQKRS-RISCZKNCSA-N 0 1 282.815 2.818 20 10 CFCDMN C[C@H]([NH2+]CCN(C)C)c1ccc2ccccc2c1[O-] ZINC000022209645 171372990 /nfs/dbraw/zinc/37/29/90/171372990.db2.gz OZMOXRBONWUEAM-LBPRGKRZSA-N 0 1 258.365 2.758 20 10 CFCDMN CC[C@H](c1ccccc1O)N1CCc2c(ncn2C)C1 ZINC000368880356 267210431 /nfs/dbraw/zinc/21/04/31/267210431.db2.gz QYTPEEUJZKDDRX-CQSZACIVSA-N 0 1 271.364 2.635 20 10 CFCDMN CC[C@H](N[C@@H](C)c1ncnn1C)c1ccc(C)cc1O ZINC000280119696 276638494 /nfs/dbraw/zinc/63/84/94/276638494.db2.gz OFAPJBKVHRGXFP-AAEUAGOBSA-N 0 1 274.368 2.631 20 10 CFCDMN COc1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1C ZINC000527802253 330284256 /nfs/dbraw/zinc/28/42/56/330284256.db2.gz VPESRFWHZWKYAW-INIZCTEOSA-N 0 1 296.370 2.657 20 10 CFCDMN CCn1nncc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000527920101 330295713 /nfs/dbraw/zinc/29/57/13/330295713.db2.gz MFDWKCDPVRBVQL-SECBINFHSA-N 0 1 280.759 2.508 20 10 CFCDMN CCOC(=O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000158094922 520577687 /nfs/dbraw/zinc/57/76/87/520577687.db2.gz RMIOFKWTAFYEDQ-UHFFFAOYSA-N 0 1 297.782 2.821 20 10 CFCDMN CCC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000226648580 520936904 /nfs/dbraw/zinc/93/69/04/520936904.db2.gz CSMBYSVMWKTKGL-CYBMUJFWSA-N 0 1 257.761 2.686 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@](C)(CC)C2)c1 ZINC000191153860 521146728 /nfs/dbraw/zinc/14/67/28/521146728.db2.gz ZBANSHXRXPBGRP-MRXNPFEDSA-N 0 1 279.380 2.792 20 10 CFCDMN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278289110 521685286 /nfs/dbraw/zinc/68/52/86/521685286.db2.gz UOWZJPPMXZFESA-UHFFFAOYSA-N 0 1 280.324 2.683 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000278227358 521867206 /nfs/dbraw/zinc/86/72/06/521867206.db2.gz MEVMUENXHXSQRA-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000278225534 521876311 /nfs/dbraw/zinc/87/63/11/521876311.db2.gz MCPODSSUNDRCHD-SNVBAGLBSA-N 0 1 294.351 2.929 20 10 CFCDMN CN(C)c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000093639868 522181301 /nfs/dbraw/zinc/18/13/01/522181301.db2.gz XPZVTKMDKQTACS-UHFFFAOYSA-N 0 1 260.381 2.508 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc(Cl)c1[O-] ZINC000287863275 522916958 /nfs/dbraw/zinc/91/69/58/522916958.db2.gz XMFDGPVFMXWMFS-JOYOIKCWSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1cccc(Cl)c1O ZINC000287863275 522916970 /nfs/dbraw/zinc/91/69/70/522916970.db2.gz XMFDGPVFMXWMFS-JOYOIKCWSA-N 0 1 294.786 2.976 20 10 CFCDMN COCC1=CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000274898714 522922581 /nfs/dbraw/zinc/92/25/81/522922581.db2.gz GLOCBGNRCTZZKU-UHFFFAOYSA-N 0 1 278.371 2.670 20 10 CFCDMN COC(=O)CCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000289806532 522992828 /nfs/dbraw/zinc/99/28/28/522992828.db2.gz NDDDCOOGXYWEGO-UHFFFAOYSA-N 0 1 285.771 2.869 20 10 CFCDMN CNC(=O)CCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000156980557 524063266 /nfs/dbraw/zinc/06/32/66/524063266.db2.gz HKOQXKBYOIMYKB-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN CNC(=O)CCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000156980557 524063267 /nfs/dbraw/zinc/06/32/67/524063267.db2.gz HKOQXKBYOIMYKB-UHFFFAOYSA-N 0 1 286.375 2.503 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000280603020 524626291 /nfs/dbraw/zinc/62/62/91/524626291.db2.gz OEEKQAUJONEOHK-IINYFYTJSA-N 0 1 265.328 2.531 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000219893430 525268625 /nfs/dbraw/zinc/26/86/25/525268625.db2.gz QDSJSBVMGGJJBS-ZJUUUORDSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)c(F)c1[O-] ZINC000191179674 525309803 /nfs/dbraw/zinc/30/98/03/525309803.db2.gz CZZWFPMZKNBRJD-JTQLQIEISA-N 0 1 286.366 2.909 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000087009582 525417155 /nfs/dbraw/zinc/41/71/55/525417155.db2.gz QTTVDLRNMVMMQI-LLVKDONJSA-N 0 1 259.349 2.967 20 10 CFCDMN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000274783436 525428267 /nfs/dbraw/zinc/42/82/67/525428267.db2.gz LHWJWYXQHHPWOI-SECBINFHSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000192748377 525605673 /nfs/dbraw/zinc/60/56/73/525605673.db2.gz JYEZOBRBNVJBRL-LRDDRELGSA-N 0 1 298.386 2.865 20 10 CFCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)o1 ZINC000265987504 525781119 /nfs/dbraw/zinc/78/11/19/525781119.db2.gz NHKFGPDAVUGIJO-ZDUSSCGKSA-N 0 1 281.739 2.770 20 10 CFCDMN COc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000228156105 525949010 /nfs/dbraw/zinc/94/90/10/525949010.db2.gz WRTSGAQEHRTDST-ZIAGYGMSSA-N 0 1 277.364 2.544 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000160222271 526328727 /nfs/dbraw/zinc/32/87/27/526328727.db2.gz JTAKNAGFTQEZMZ-KBPBESRZSA-N 0 1 265.328 2.675 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccccn1 ZINC000067697056 526341234 /nfs/dbraw/zinc/34/12/34/526341234.db2.gz WXAWTJLPHMHVFW-UHFFFAOYSA-N 0 1 293.164 2.840 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246445954 526346550 /nfs/dbraw/zinc/34/65/50/526346550.db2.gz NNXOEPKSMGFGQO-OCCSQVGLSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246445954 526346556 /nfs/dbraw/zinc/34/65/56/526346556.db2.gz NNXOEPKSMGFGQO-OCCSQVGLSA-N 0 1 299.823 2.752 20 10 CFCDMN Cc1nc(NCc2cc(Cl)cc(Cl)c2O)nn1C ZINC000291884339 526998431 /nfs/dbraw/zinc/99/84/31/526998431.db2.gz IVTUEVKOXKDICU-UHFFFAOYSA-N 0 1 287.150 2.748 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275073114 527571069 /nfs/dbraw/zinc/57/10/69/527571069.db2.gz XTSGOIGOOWNIAZ-ZWNOBZJWSA-N 0 1 269.772 2.686 20 10 CFCDMN CCOc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155644 574078448 /nfs/dbraw/zinc/07/84/48/574078448.db2.gz KFIMLEJOYRNDRN-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737494726 574144711 /nfs/dbraw/zinc/14/47/11/574144711.db2.gz ZTWDPTGLSADRIU-HNNXBMFYSA-N 0 1 289.306 2.789 20 10 CFCDMN Cc1cccn2cc(CN(C)Cc3ccccc3O)nc12 ZINC000732203354 574146034 /nfs/dbraw/zinc/14/60/34/574146034.db2.gz RAKOZUUMDDSQKY-UHFFFAOYSA-N 0 1 281.359 2.980 20 10 CFCDMN Cc1ccc(O)c(CNCc2nccn2CC(F)(F)F)c1 ZINC000733327169 574221468 /nfs/dbraw/zinc/22/14/68/574221468.db2.gz NXGUSYXBYHZQJT-UHFFFAOYSA-N 0 1 299.296 2.749 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)CCCNC(=O)[O-])cc1C(C)C ZINC000740087547 574235270 /nfs/dbraw/zinc/23/52/70/574235270.db2.gz DCBGDGHBANAKBL-UHFFFAOYSA-N 0 1 294.395 2.914 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)[O-])C2)cc1C(C)C ZINC000740089850 574235316 /nfs/dbraw/zinc/23/53/16/574235316.db2.gz ZDERZWZQZIRGOT-ZDUSSCGKSA-N 0 1 292.379 2.666 20 10 CFCDMN C[C@H](NCc1cc[nH]n1)c1cc(Br)ccc1O ZINC000756557251 574247141 /nfs/dbraw/zinc/24/71/41/574247141.db2.gz RRFAFFAVXGHGIF-QMMMGPOBSA-N 0 1 296.168 2.729 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000756584308 574250340 /nfs/dbraw/zinc/25/03/40/574250340.db2.gz SCSNGGQOURLRNW-YPMHNXCESA-N 0 1 299.798 2.892 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ccc(F)cn2)c1 ZINC000756661174 574256369 /nfs/dbraw/zinc/25/63/69/574256369.db2.gz ZCXRYMDTMNUFBJ-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000756704409 574257913 /nfs/dbraw/zinc/25/79/13/574257913.db2.gz NGSZGQPAKLAVMH-GRZMOONWSA-N 0 1 296.798 2.740 20 10 CFCDMN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000756705563 574258274 /nfs/dbraw/zinc/25/82/74/574258274.db2.gz LDCNTFLYCKHJPF-SNVBAGLBSA-N 0 1 296.798 2.755 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC000756763965 574261339 /nfs/dbraw/zinc/26/13/39/574261339.db2.gz CDYBGQMBXPRFEE-PSASIEDQSA-N 0 1 295.333 2.984 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000756820524 574264927 /nfs/dbraw/zinc/26/49/27/574264927.db2.gz XOQIEXHQQJWPLY-RKDXNWHRSA-N 0 1 257.761 2.856 20 10 CFCDMN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000743500315 574367273 /nfs/dbraw/zinc/36/72/73/574367273.db2.gz WMFCWLPUTIUNFQ-MFKMUULPSA-N 0 1 271.788 2.932 20 10 CFCDMN CN(C)c1ccc(CN(Cc2cncn2C)C2CC2)cc1 ZINC000751777545 574382783 /nfs/dbraw/zinc/38/27/83/574382783.db2.gz UPFMAUQGUCIGNG-UHFFFAOYSA-N 0 1 284.407 2.651 20 10 CFCDMN C[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1F ZINC000830860742 601006755 /nfs/dbraw/zinc/00/67/55/601006755.db2.gz WGOOJQDAZHLKGT-HNNXBMFYSA-N 0 1 289.306 2.789 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1F ZINC000830860742 601006757 /nfs/dbraw/zinc/00/67/57/601006757.db2.gz WGOOJQDAZHLKGT-HNNXBMFYSA-N 0 1 289.306 2.789 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN(C)C(=O)[O-])cc1C ZINC000830121286 603611743 /nfs/dbraw/zinc/61/17/43/603611743.db2.gz BENNQGCFAJRGLC-AWEZNQCLSA-N 0 1 292.379 2.583 20 10 CFCDMN COc1cc(C)cc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000777965805 617725409 /nfs/dbraw/zinc/72/54/09/617725409.db2.gz GBBVURAKFGGIAB-DGCLKSJQSA-N 0 1 267.344 2.889 20 10 CFCDMN CCn1cc(CN(C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000891399860 618186007 /nfs/dbraw/zinc/18/60/07/618186007.db2.gz NVEDUOSDQBYSQE-UHFFFAOYSA-N 0 1 286.423 2.909 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775500166 618271373 /nfs/dbraw/zinc/27/13/73/618271373.db2.gz YCXHPXBVPWNDNI-WCQYABFASA-N 0 1 268.788 2.790 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)OCC23CCC3)c1O ZINC000895142222 618375500 /nfs/dbraw/zinc/37/55/00/618375500.db2.gz KRUYIYIHHCBHMJ-ZDUSSCGKSA-N 0 1 291.391 2.853 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877616852 618449702 /nfs/dbraw/zinc/44/97/02/618449702.db2.gz OYDSEGQNAATSRM-ZDUSSCGKSA-N 0 1 253.292 2.932 20 10 CFCDMN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887941 618697377 /nfs/dbraw/zinc/69/73/77/618697377.db2.gz RACPVJNNBODXBU-QWRGUYRKSA-N 0 1 298.814 2.747 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cn3ccccc3n2)c1 ZINC000182344251 625288328 /nfs/dbraw/zinc/28/83/28/625288328.db2.gz XEVPOUMFDQJRJX-LBPRGKRZSA-N 0 1 297.358 2.899 20 10 CFCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(F)cc1F ZINC000182420621 625298925 /nfs/dbraw/zinc/29/89/25/625298925.db2.gz FAPKWBFRQLEUJM-UHFFFAOYSA-N 0 1 299.298 2.780 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H](CCO)c1ccco1 ZINC000840938660 619078302 /nfs/dbraw/zinc/07/83/02/619078302.db2.gz PWZQMPWGLISRLG-INIZCTEOSA-N 0 1 288.391 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H](C)O)c(Cl)c1 ZINC000840940942 619085978 /nfs/dbraw/zinc/08/59/78/619085978.db2.gz OHVRZRPNHLOJCL-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978057 619207218 /nfs/dbraw/zinc/20/72/18/619207218.db2.gz KZMURXFESCAXBV-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980292 619209798 /nfs/dbraw/zinc/20/97/98/619209798.db2.gz WVYKLYBWOXOCCT-CMPLNLGQSA-N 0 1 269.772 2.638 20 10 CFCDMN COc1cc(C)cc(CNCc2ccc(F)cn2)c1O ZINC000894347445 619343598 /nfs/dbraw/zinc/34/35/98/619343598.db2.gz JXUMLSQWADHGMS-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN C[C@H]1CCSCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894555887 619415047 /nfs/dbraw/zinc/41/50/47/619415047.db2.gz PGJWJRFXBHPBKY-VIFPVBQESA-N 0 1 273.348 2.998 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000894689764 619444524 /nfs/dbraw/zinc/44/45/24/619444524.db2.gz HXIKROFMUVVVLU-ZIAGYGMSSA-N 0 1 283.318 2.814 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000894866710 619490826 /nfs/dbraw/zinc/49/08/26/619490826.db2.gz YWIOGTWUEHWNCW-HOTGVXAUSA-N 0 1 295.329 2.814 20 10 CFCDMN CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895577597 619558698 /nfs/dbraw/zinc/55/86/98/619558698.db2.gz OFRHIGAHLPJALK-GFCCVEGCSA-N 0 1 275.270 2.545 20 10 CFCDMN CO[C@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000895578309 619562399 /nfs/dbraw/zinc/56/23/99/619562399.db2.gz YKKUAULJUGFFKR-GFCCVEGCSA-N 0 1 293.260 2.685 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779414 619605897 /nfs/dbraw/zinc/60/58/97/619605897.db2.gz NZDNICCPSBVLJB-DTORHVGOSA-N 0 1 287.787 2.980 20 10 CFCDMN CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895921981 619634797 /nfs/dbraw/zinc/63/47/97/619634797.db2.gz DUPPLWVDUGBDFF-LBPRGKRZSA-N 0 1 285.334 2.653 20 10 CFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000896123932 619676173 /nfs/dbraw/zinc/67/61/73/619676173.db2.gz BWWALNWJWDYLPR-HIFRSBDPSA-N 0 1 299.370 2.977 20 10 CFCDMN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752562 620224995 /nfs/dbraw/zinc/22/49/95/620224995.db2.gz PRJZVRCTRAOKHR-NXEZZACHSA-N 0 1 284.787 2.563 20 10 CFCDMN Cc1cccc(CNCc2cc(C(F)(F)F)n(C)n2)c1O ZINC000898021540 620324143 /nfs/dbraw/zinc/32/41/43/620324143.db2.gz KTRFFALUMGFDTB-UHFFFAOYSA-N 0 1 299.296 2.743 20 10 CFCDMN CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927082559 620450301 /nfs/dbraw/zinc/45/03/01/620450301.db2.gz XPQMXKLOBBXFSR-JSGCOSHPSA-N 0 1 299.798 2.892 20 10 CFCDMN CN(C)c1cc(F)c(CNC/C=C\Cl)cc1F ZINC000898428494 620461019 /nfs/dbraw/zinc/46/10/19/620461019.db2.gz IQFJSQYXUFXSOE-ARJAWSKDSA-N 0 1 260.715 2.873 20 10 CFCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000898420486 620461884 /nfs/dbraw/zinc/46/18/84/620461884.db2.gz TUPIRDBGLXETSW-YGRLFVJLSA-N 0 1 285.359 2.855 20 10 CFCDMN CCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902529294 621118685 /nfs/dbraw/zinc/11/86/85/621118685.db2.gz VAQLWYDXSVNBBM-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902529294 621118687 /nfs/dbraw/zinc/11/86/87/621118687.db2.gz VAQLWYDXSVNBBM-ZDUSSCGKSA-N 0 1 272.348 2.551 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](c2nncn2C)C(C)C)c(O)c1 ZINC000903064531 621238187 /nfs/dbraw/zinc/23/81/87/621238187.db2.gz NJQBVZISTTXUMR-DOMZBBRYSA-N 0 1 288.395 2.877 20 10 CFCDMN C[C@@H](N[C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903327714 621339396 /nfs/dbraw/zinc/33/93/96/621339396.db2.gz XWDSHOTUNUNYHF-ABAIWWIYSA-N 0 1 269.348 2.984 20 10 CFCDMN C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(Cl)cc1[O-] ZINC000903352277 621343714 /nfs/dbraw/zinc/34/37/14/621343714.db2.gz RWWVJXMBWUDZHP-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1=O ZINC000903387467 621358394 /nfs/dbraw/zinc/35/83/94/621358394.db2.gz GTBXNCURJOHITB-MFKMUULPSA-N 0 1 296.798 2.707 20 10 CFCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000820878027 622779582 /nfs/dbraw/zinc/77/95/82/622779582.db2.gz HHZGNMUJOQDASO-ZIAGYGMSSA-N 0 1 299.374 2.658 20 10 CFCDMN COCCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227442502 623109812 /nfs/dbraw/zinc/10/98/12/623109812.db2.gz AFXZFJOCAGZBCY-UHFFFAOYSA-N 0 1 257.761 2.952 20 10 CFCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)CCOCC1 ZINC000227834921 623120648 /nfs/dbraw/zinc/12/06/48/623120648.db2.gz SAEVBZMIPHMVCN-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN Cc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000061320553 623201716 /nfs/dbraw/zinc/20/17/16/623201716.db2.gz BWAIJDPMMVMIIG-CYBMUJFWSA-N 0 1 270.380 2.702 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000230163976 623258147 /nfs/dbraw/zinc/25/81/47/623258147.db2.gz CXQYHGWSTUFDMG-JTQLQIEISA-N 0 1 255.745 2.562 20 10 CFCDMN CC(C)C[N@@H+](CCN(C)C)Cc1cc(F)ccc1O ZINC000232600199 623429014 /nfs/dbraw/zinc/42/90/14/623429014.db2.gz WYEWMAMEIZHCBP-UHFFFAOYSA-N 0 1 268.376 2.551 20 10 CFCDMN CC(C)CN(CC[NH+](C)C)Cc1cc(F)ccc1O ZINC000232600199 623429018 /nfs/dbraw/zinc/42/90/18/623429018.db2.gz WYEWMAMEIZHCBP-UHFFFAOYSA-N 0 1 268.376 2.551 20 10 CFCDMN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824596285 623529640 /nfs/dbraw/zinc/52/96/40/623529640.db2.gz DNRQOIJMTBKVBI-SNVBAGLBSA-N 0 1 285.771 2.595 20 10 CFCDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824596285 623529641 /nfs/dbraw/zinc/52/96/41/623529641.db2.gz DNRQOIJMTBKVBI-SNVBAGLBSA-N 0 1 285.771 2.595 20 10 CFCDMN CCCn1nccc1CN(C)Cc1ccccc1O ZINC000824593096 623529737 /nfs/dbraw/zinc/52/97/37/623529737.db2.gz KRKBJTHCINSOJO-UHFFFAOYSA-N 0 1 259.353 2.631 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(F)F ZINC000824637459 623535509 /nfs/dbraw/zinc/53/55/09/623535509.db2.gz XJKHIOBKELZRRV-KOLCDFICSA-N 0 1 279.714 2.540 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635837 623536029 /nfs/dbraw/zinc/53/60/29/623536029.db2.gz JOKVYNOXXBRARW-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000824679001 623543717 /nfs/dbraw/zinc/54/37/17/623543717.db2.gz WHTNPMWUBLTFHO-AWEZNQCLSA-N 0 1 298.814 2.638 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000824815570 623571326 /nfs/dbraw/zinc/57/13/26/623571326.db2.gz TYTXBSHQDFHTAH-MFKMUULPSA-N 0 1 269.772 2.902 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824847249 623577459 /nfs/dbraw/zinc/57/74/59/623577459.db2.gz XKAFAMAURGOSRY-ZBFHGGJFSA-N 0 1 295.810 2.932 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC000824849365 623578107 /nfs/dbraw/zinc/57/81/07/623578107.db2.gz FYDNJAYHSJRIRG-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC000824849365 623578111 /nfs/dbraw/zinc/57/81/11/623578111.db2.gz FYDNJAYHSJRIRG-CQSZACIVSA-N 0 1 269.772 2.701 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1O ZINC000824943080 623592371 /nfs/dbraw/zinc/59/23/71/623592371.db2.gz HEOSRSQWXIUIIL-IINYFYTJSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1O ZINC000824943080 623592376 /nfs/dbraw/zinc/59/23/76/623592376.db2.gz HEOSRSQWXIUIIL-IINYFYTJSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825090448 623626922 /nfs/dbraw/zinc/62/69/22/623626922.db2.gz VRPJWKCMQOTTFW-ZDUSSCGKSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCSC2)cc1Cl ZINC000825327730 623673491 /nfs/dbraw/zinc/67/34/91/623673491.db2.gz ZOJUFTPTRVKGSX-SNVBAGLBSA-N 0 1 257.786 2.949 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC[S@](C)=O)cc1Cl ZINC000825341257 623675861 /nfs/dbraw/zinc/67/58/61/623675861.db2.gz FFHSEHIGYISSJR-YPMLDQLKSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1Cl ZINC000825346312 623677993 /nfs/dbraw/zinc/67/79/93/623677993.db2.gz DCPOLESDWZEDHB-DGCLKSJQSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1c(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cnn1C ZINC000825401817 623686562 /nfs/dbraw/zinc/68/65/62/623686562.db2.gz XSDBNKNUOAPNSG-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825450544 623695759 /nfs/dbraw/zinc/69/57/59/623695759.db2.gz ICSAHAZSQHROEX-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825450544 623695762 /nfs/dbraw/zinc/69/57/62/623695762.db2.gz ICSAHAZSQHROEX-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825450544 623695768 /nfs/dbraw/zinc/69/57/68/623695768.db2.gz ICSAHAZSQHROEX-NWDGAFQWSA-N 0 1 283.799 2.947 20 10 CFCDMN CNC(=O)C1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCC1 ZINC000825555022 623714940 /nfs/dbraw/zinc/71/49/40/623714940.db2.gz CBBHGLDWKXPYEN-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CCO)cc1Cl ZINC000825568446 623717470 /nfs/dbraw/zinc/71/74/70/623717470.db2.gz XZRQYBZDPFOPCN-LBPRGKRZSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CCO)cc1Cl ZINC000825568446 623717475 /nfs/dbraw/zinc/71/74/75/623717475.db2.gz XZRQYBZDPFOPCN-LBPRGKRZSA-N 0 1 269.772 2.701 20 10 CFCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825882926 623765702 /nfs/dbraw/zinc/76/57/02/623765702.db2.gz PXXSXYYTEFNGHA-TXEJJXNPSA-N 0 1 269.772 2.963 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825882926 623765706 /nfs/dbraw/zinc/76/57/06/623765706.db2.gz PXXSXYYTEFNGHA-TXEJJXNPSA-N 0 1 269.772 2.963 20 10 CFCDMN Cc1cc(O)c(CN2CC3(C2)CCOC3)cc1Cl ZINC000826024298 623783613 /nfs/dbraw/zinc/78/36/13/623783613.db2.gz YKQJZIUTALKTPJ-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)cc1Cl ZINC000826047827 623787561 /nfs/dbraw/zinc/78/75/61/623787561.db2.gz BRYOWGANQGEOTO-JTQLQIEISA-N 0 1 271.788 2.993 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)O ZINC000826065231 623788798 /nfs/dbraw/zinc/78/87/98/623788798.db2.gz VMMRGJVEBNQQAE-BXKDBHETSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1Cl ZINC000827147563 623954102 /nfs/dbraw/zinc/95/41/02/623954102.db2.gz SVBPTXIVGHWTIZ-QWRGUYRKSA-N 0 1 283.799 2.803 20 10 CFCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000915208097 623998302 /nfs/dbraw/zinc/99/83/02/623998302.db2.gz UDAKVCPOHUIURI-UHFFFAOYSA-N 0 1 272.348 2.551 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000915208097 623998308 /nfs/dbraw/zinc/99/83/08/623998308.db2.gz UDAKVCPOHUIURI-UHFFFAOYSA-N 0 1 272.348 2.551 20 10 CFCDMN CCCN1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000827519001 624022157 /nfs/dbraw/zinc/02/21/57/624022157.db2.gz HIWRBKUCBJVCLV-ZDUSSCGKSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CCC3(COC3)C2)c1O ZINC000827644670 624050324 /nfs/dbraw/zinc/05/03/24/624050324.db2.gz QGUMPIJFPBHYOG-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN CCc1cccc(CN[C@@H](C)c2nccn2C)c1O ZINC000827722293 624077580 /nfs/dbraw/zinc/07/75/80/624077580.db2.gz FJZGMNDQSPZMKA-NSHDSACASA-N 0 1 259.353 2.539 20 10 CFCDMN COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000827812280 624099538 /nfs/dbraw/zinc/09/95/38/624099538.db2.gz IFRPEWYAHZAIQY-HDJSIYSDSA-N 0 1 285.343 2.587 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1(CO)CCC1 ZINC000827903403 624124614 /nfs/dbraw/zinc/12/46/14/624124614.db2.gz GVCGQSWYRWGOPC-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1(CO)CCC1 ZINC000827903403 624124616 /nfs/dbraw/zinc/12/46/16/624124616.db2.gz GVCGQSWYRWGOPC-UHFFFAOYSA-N 0 1 271.360 2.892 20 10 CFCDMN CC1(C)Cc2n[nH]cc2CN(Cc2cc(F)ccc2O)C1 ZINC000828014277 624154712 /nfs/dbraw/zinc/15/47/12/624154712.db2.gz ZJOWRVKELNOLDV-UHFFFAOYSA-N 0 1 289.354 2.839 20 10 CFCDMN C[C@@H]([NH2+]CC1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000154740105 624444740 /nfs/dbraw/zinc/44/47/40/624444740.db2.gz YGMPCUMKQOFVSR-GFCCVEGCSA-N 0 1 271.360 2.969 20 10 CFCDMN C[C@@H](NCc1nccn1C(F)F)c1ccccc1O ZINC000179894668 624981926 /nfs/dbraw/zinc/98/19/26/624981926.db2.gz MWGVJMLWDANYPT-SECBINFHSA-N 0 1 267.279 2.835 20 10 CFCDMN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834880635 625907622 /nfs/dbraw/zinc/90/76/22/625907622.db2.gz LCXNYFLTQLIHBX-ZIBATOQPSA-N 0 1 299.798 2.748 20 10 CFCDMN CCn1ccnc1[C@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000834895798 625912154 /nfs/dbraw/zinc/91/21/54/625912154.db2.gz RMRGYNDPSUKURO-AAEUAGOBSA-N 0 1 271.364 2.947 20 10 CFCDMN COc1cccnc1CN[C@@H](C)c1cc(F)ccc1O ZINC000834904616 625917223 /nfs/dbraw/zinc/91/72/23/625917223.db2.gz AEHYDCVWGXLVFL-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN COc1cccnc1CN[C@H](C)c1ccc(C)cc1O ZINC000834907201 625918877 /nfs/dbraw/zinc/91/88/77/625918877.db2.gz YLURHTBTMWPTTI-GFCCVEGCSA-N 0 1 272.348 2.955 20 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Oc1ccc(Cl)cc1CN1CC2(CC(F)C2)C1 ZINC000839139746 626528346 /nfs/dbraw/zinc/52/83/46/626528346.db2.gz KUJAEGFWHRWMEL-UHFFFAOYSA-N 0 1 255.720 2.980 20 10 CFCDMN Cc1ncc(CNC/C=C\c2ccc(N(C)C)cc2)o1 ZINC000839170544 626529365 /nfs/dbraw/zinc/52/93/65/626529365.db2.gz ONNDFRWTSMVZHJ-PLNGDYQASA-N 0 1 271.364 2.852 20 10 CFCDMN CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804889677 626539246 /nfs/dbraw/zinc/53/92/46/626539246.db2.gz GGUVTRQMJQBDNW-UHFFFAOYSA-N 0 1 263.124 2.518 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@@H](C3CCC3)C2)cc1 ZINC000839625671 626548738 /nfs/dbraw/zinc/54/87/38/626548738.db2.gz OCVVXVGKGLDNMQ-QGZVFWFLSA-N 0 1 274.408 2.754 20 10 CFCDMN Cc1nnc(CN[C@H](C)c2cc(F)cc(F)c2O)s1 ZINC000757640411 626557081 /nfs/dbraw/zinc/55/70/81/626557081.db2.gz ZRZLKIYYPFCOKQ-ZCFIWIBFSA-N 0 1 285.319 2.681 20 10 CFCDMN CCC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000758394709 626592132 /nfs/dbraw/zinc/59/21/32/626592132.db2.gz VJSMFNPLRVUMPC-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN CCC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000758394709 626592134 /nfs/dbraw/zinc/59/21/34/626592134.db2.gz VJSMFNPLRVUMPC-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN Cn1cccc1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000760401729 626742697 /nfs/dbraw/zinc/74/26/97/626742697.db2.gz KWPLQNPZNNULBZ-UHFFFAOYSA-N 0 1 281.359 2.911 20 10 CFCDMN Cn1cccc1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000760401729 626742699 /nfs/dbraw/zinc/74/26/99/626742699.db2.gz KWPLQNPZNNULBZ-UHFFFAOYSA-N 0 1 281.359 2.911 20 10 CFCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cncs1 ZINC000765610671 627150669 /nfs/dbraw/zinc/15/06/69/627150669.db2.gz WZGIXSNLNMCNBR-JTQLQIEISA-N 0 1 260.362 2.929 20 10 CFCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000768171828 627322670 /nfs/dbraw/zinc/32/26/70/627322670.db2.gz IQPASKYQLNRRAQ-DZGCQCFKSA-N 0 1 262.397 2.752 20 10 CFCDMN [O-]c1cc2c(cc1C[N@H+](C1CC1)C1CCCC1)[C@H](O)CO2 ZINC000768440176 627342940 /nfs/dbraw/zinc/34/29/40/627342940.db2.gz UBRPABIVQBKCMK-MRXNPFEDSA-N 0 1 289.375 2.725 20 10 CFCDMN [O-]c1cc2c(cc1C[N@@H+](C1CC1)C1CCCC1)[C@H](O)CO2 ZINC000768440176 627342944 /nfs/dbraw/zinc/34/29/44/627342944.db2.gz UBRPABIVQBKCMK-MRXNPFEDSA-N 0 1 289.375 2.725 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](COC(C)C)C2)c1 ZINC000769802015 627475920 /nfs/dbraw/zinc/47/59/20/627475920.db2.gz GGPVFWRNWXJXBQ-INIZCTEOSA-N 0 1 293.407 2.635 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000769936825 627489895 /nfs/dbraw/zinc/48/98/95/627489895.db2.gz YECZEHSNUMZRQP-HNNXBMFYSA-N 0 1 276.405 2.637 20 10 CFCDMN CC[C@H]1COCCN1Cc1ccc(N(C)CC)cc1 ZINC000773750649 627854640 /nfs/dbraw/zinc/85/46/40/627854640.db2.gz DRMFYNIXTLJPCT-HNNXBMFYSA-N 0 1 262.397 2.754 20 10 CFCDMN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000774831487 627968780 /nfs/dbraw/zinc/96/87/80/627968780.db2.gz VEFVOUWNSOPXJR-YGRLFVJLSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@H]([NH2+]CCN1CCC1)c1cc(Cl)ccc1[O-] ZINC000775522956 628034105 /nfs/dbraw/zinc/03/41/05/628034105.db2.gz CJXJOOWQOPMNFK-ZDUSSCGKSA-N 0 1 268.788 2.792 20 10 CFCDMN C[N@@H+](Cc1cn[nH]c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775700413 628056745 /nfs/dbraw/zinc/05/67/45/628056745.db2.gz OHTLPOCDQCJDFL-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C(C)(C)C1 ZINC000775699727 628056875 /nfs/dbraw/zinc/05/68/75/628056875.db2.gz COYKETVUUIBGLA-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC[C@@]2(C)CC)c1 ZINC000775980786 628090419 /nfs/dbraw/zinc/09/04/19/628090419.db2.gz LCKIGKKWOSGFAV-MRXNPFEDSA-N 0 1 279.380 2.792 20 10 CFCDMN COc1ccc(O)c(CNCc2ccc(Cl)cn2)c1 ZINC000776254480 628123114 /nfs/dbraw/zinc/12/31/14/628123114.db2.gz GNLKOSNHGOBZTR-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(CO)CCCCC2)c1[O-] ZINC000776592062 628163423 /nfs/dbraw/zinc/16/34/23/628163423.db2.gz XVGOBXNWRATBHX-UHFFFAOYSA-N 0 1 295.354 2.519 20 10 CFCDMN Oc1cc2c(cc1CN1CCO[C@H](C3CC3)C1)CCCC2 ZINC000776768440 628176681 /nfs/dbraw/zinc/17/66/81/628176681.db2.gz OIDOCULBOJXTGU-SFHVURJKSA-N 0 1 287.403 2.882 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@H](C(C)C)C2)c1 ZINC000779150645 628356455 /nfs/dbraw/zinc/35/64/55/628356455.db2.gz QQLHJULHVWKUEH-MRXNPFEDSA-N 0 1 279.380 2.648 20 10 CFCDMN Oc1ccc(Br)cc1CN1CC=CCC1 ZINC000779164620 628357980 /nfs/dbraw/zinc/35/79/80/628357980.db2.gz YQHWAMJHRYSCJW-UHFFFAOYSA-N 0 1 268.154 2.917 20 10 CFCDMN CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779219076 628360896 /nfs/dbraw/zinc/36/08/96/628360896.db2.gz LMJWGNIEXWPMCE-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN C[N@H+](CCc1cnccn1)Cc1cc(Cl)ccc1[O-] ZINC000780894731 628502719 /nfs/dbraw/zinc/50/27/19/628502719.db2.gz KSDBZUKQRVOYNH-UHFFFAOYSA-N 0 1 277.755 2.510 20 10 CFCDMN C[N@@H+](CCc1cnccn1)Cc1cc(Cl)ccc1[O-] ZINC000780894731 628502722 /nfs/dbraw/zinc/50/27/22/628502722.db2.gz KSDBZUKQRVOYNH-UHFFFAOYSA-N 0 1 277.755 2.510 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783738518 628740213 /nfs/dbraw/zinc/74/02/13/628740213.db2.gz WSVMICGRAAYRRV-GMTAPVOTSA-N 0 1 253.317 2.529 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783738464 628740521 /nfs/dbraw/zinc/74/05/21/628740521.db2.gz WIPDMCRRDOSQCM-RWMBFGLXSA-N 0 1 279.380 2.789 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CC=CCC1 ZINC000784017111 628764187 /nfs/dbraw/zinc/76/41/87/628764187.db2.gz VYYDFFIQKLNOER-BLLLJJGKSA-N 0 1 289.375 2.606 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CC=CCC1 ZINC000784017111 628764189 /nfs/dbraw/zinc/76/41/89/628764189.db2.gz VYYDFFIQKLNOER-BLLLJJGKSA-N 0 1 289.375 2.606 20 10 CFCDMN COCCN(Cc1scnc1C)Cc1ccccc1O ZINC000787308027 629006113 /nfs/dbraw/zinc/00/61/13/629006113.db2.gz CMKWUXUQUBJQRR-UHFFFAOYSA-N 0 1 292.404 2.806 20 10 CFCDMN Cc1c(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cnn1C ZINC000790938881 629272886 /nfs/dbraw/zinc/27/28/86/629272886.db2.gz OPFZWNDUMRHVOJ-UHFFFAOYSA-N 0 1 297.761 2.859 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790949837 629273612 /nfs/dbraw/zinc/27/36/12/629273612.db2.gz PMSWXSSICMODCV-OLZOCXBDSA-N 0 1 298.789 2.901 20 10 CFCDMN Cc1cc(CNCc2c(O)ccc(Cl)c2F)no1 ZINC000790956150 629274348 /nfs/dbraw/zinc/27/43/48/629274348.db2.gz OVYSUJRWNLNWOT-UHFFFAOYSA-N 0 1 270.691 2.771 20 10 CFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180326 629407150 /nfs/dbraw/zinc/40/71/50/629407150.db2.gz QILYWPBQHUJCII-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN CN1CCN(c2ccc(CNC(C)(C)C(F)F)cc2)CC1 ZINC000793254301 629515117 /nfs/dbraw/zinc/51/51/17/629515117.db2.gz JEJDUUPMTDWMDA-UHFFFAOYSA-N 0 1 297.393 2.572 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CO)CC1CCC1 ZINC000793321168 629526571 /nfs/dbraw/zinc/52/65/71/629526571.db2.gz HFUNFQIUEISKBU-NSHDSACASA-N 0 1 269.772 2.686 20 10 CFCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000793393813 629536839 /nfs/dbraw/zinc/53/68/39/629536839.db2.gz ALBHNSUYEIWUNW-UHFFFAOYSA-N 0 1 296.798 2.536 20 10 CFCDMN CC[C@@H](NCc1cc(C(N)=O)co1)c1ccc(C)cc1O ZINC000794817679 629690217 /nfs/dbraw/zinc/69/02/17/629690217.db2.gz USHBMANSUOPRTB-CQSZACIVSA-N 0 1 288.347 2.633 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000796480477 629924097 /nfs/dbraw/zinc/92/40/97/629924097.db2.gz MCWXDCNOBQGCHZ-UHFFFAOYSA-N 0 1 287.750 2.983 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000797604999 630088772 /nfs/dbraw/zinc/08/87/72/630088772.db2.gz LEUHGCXLZFXIGE-JTQLQIEISA-N 0 1 292.335 2.707 20 10 CFCDMN COc1c([O-])c(C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000797604999 630088775 /nfs/dbraw/zinc/08/87/75/630088775.db2.gz LEUHGCXLZFXIGE-JTQLQIEISA-N 0 1 292.335 2.707 20 10 CFCDMN Cc1cc(N(C)C)nc(NCc2cc(C)c(C)cc2O)n1 ZINC000800723216 630402807 /nfs/dbraw/zinc/40/28/07/630402807.db2.gz LCYGQORHUCIMAS-UHFFFAOYSA-N 0 1 286.379 2.786 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H](C)C(=O)[O-] ZINC000852738096 634818718 /nfs/dbraw/zinc/81/87/18/634818718.db2.gz ZGIKXHLZPXQGTB-MRVPVSSYSA-N 0 1 299.754 2.543 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)NCc2cc[nH]n2)c1O ZINC000808694069 631029991 /nfs/dbraw/zinc/02/99/91/631029991.db2.gz ZXVWMWVPSRLCIS-SECBINFHSA-N 0 1 265.744 2.928 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nncn2C)c1O ZINC000808692703 631030186 /nfs/dbraw/zinc/03/01/86/631030186.db2.gz TXJRLXFOVDHTRF-NXEZZACHSA-N 0 1 294.786 2.894 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)Cn2ccnc2)c(Cl)c1 ZINC000840888082 631253680 /nfs/dbraw/zinc/25/36/80/631253680.db2.gz XGHRTAIBDSEWRS-LBPRGKRZSA-N 0 1 293.798 2.976 20 10 CFCDMN CC[C@H](CCO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840904034 631256540 /nfs/dbraw/zinc/25/65/40/631256540.db2.gz GNYBJNBDSQZEIK-LLVKDONJSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)CCO)c(Cl)c1 ZINC000840901709 631256609 /nfs/dbraw/zinc/25/66/09/631256609.db2.gz NSRIHOGMRUTBBR-UHFFFAOYSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccn(C)c2)c(Cl)c1 ZINC000840901601 631256792 /nfs/dbraw/zinc/25/67/92/631256792.db2.gz GLFOKWNTAPAWGR-UHFFFAOYSA-N 0 1 264.756 2.982 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C)[C@@H]1C ZINC000840916008 631262206 /nfs/dbraw/zinc/26/22/06/631262206.db2.gz VMJWUJSQIWZNKA-UONOGXRCSA-N 0 1 262.397 2.670 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809717024 631269913 /nfs/dbraw/zinc/26/99/13/631269913.db2.gz BUTYOVKYCYATQP-QMMMGPOBSA-N 0 1 261.724 2.651 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809717023 631270089 /nfs/dbraw/zinc/27/00/89/631270089.db2.gz BUTYOVKYCYATQP-MRVPVSSYSA-N 0 1 261.724 2.651 20 10 CFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)[C@H]1OC ZINC000840938697 631270386 /nfs/dbraw/zinc/27/03/86/631270386.db2.gz FKGIODMLLOZCMZ-BPLDGKMQSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C2CC2)C1 ZINC000840939349 631271372 /nfs/dbraw/zinc/27/13/72/631271372.db2.gz WQDXXZSMZMQSJU-KRWDZBQOSA-N 0 1 274.408 2.672 20 10 CFCDMN Cc1noc([C@H]2CCCN2Cc2cccc(C)c2O)n1 ZINC000809721077 631271412 /nfs/dbraw/zinc/27/14/12/631271412.db2.gz MCPROEIYQQPOHX-CYBMUJFWSA-N 0 1 273.336 2.729 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)[C@@H]1C ZINC000840942222 631273149 /nfs/dbraw/zinc/27/31/49/631273149.db2.gz VUUQMKWJOWIPEG-MNOVXSKESA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)[C@@H]1C ZINC000840942222 631273153 /nfs/dbraw/zinc/27/31/53/631273153.db2.gz VUUQMKWJOWIPEG-MNOVXSKESA-N 0 1 297.782 2.737 20 10 CFCDMN COc1cccc(CNCc2cccnc2Cl)c1O ZINC000809739267 631275252 /nfs/dbraw/zinc/27/52/52/631275252.db2.gz DUMLZEYWSHASIQ-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN Cc1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)n(C)n1 ZINC000840943648 631275667 /nfs/dbraw/zinc/27/56/67/631275667.db2.gz XQAWKKBRNBDAFB-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN Cc1cc(CNCc2c(O)cc(C)cc2Cl)n(C)n1 ZINC000840943648 631275673 /nfs/dbraw/zinc/27/56/73/631275673.db2.gz XQAWKKBRNBDAFB-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)c(Cl)c1 ZINC000840949716 631276284 /nfs/dbraw/zinc/27/62/84/631276284.db2.gz ANQFHBRKRYUHNN-SNVBAGLBSA-N 0 1 271.788 2.993 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c(Cl)c1 ZINC000840951334 631279655 /nfs/dbraw/zinc/27/96/55/631279655.db2.gz VBLUIFOTUVKDOS-CYBMUJFWSA-N 0 1 291.725 2.556 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@](O)(C(F)F)C2)c(Cl)c1 ZINC000840951334 631279660 /nfs/dbraw/zinc/27/96/60/631279660.db2.gz VBLUIFOTUVKDOS-CYBMUJFWSA-N 0 1 291.725 2.556 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(C)C ZINC000840967798 631287851 /nfs/dbraw/zinc/28/78/51/631287851.db2.gz RHJRSSISTWPFCT-OCCSQVGLSA-N 0 1 271.788 2.931 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cocn1 ZINC000840975276 631290732 /nfs/dbraw/zinc/29/07/32/631290732.db2.gz FCQOYXYDYSPQQG-ZDUSSCGKSA-N 0 1 273.380 2.770 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000840999038 631297824 /nfs/dbraw/zinc/29/78/24/631297824.db2.gz MSBLXDBPECBPLF-CYBMUJFWSA-N 0 1 278.396 2.685 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207049 631344444 /nfs/dbraw/zinc/34/44/44/631344444.db2.gz CTNNMTBXXIVWEM-KCJUWKMLSA-N 0 1 277.286 2.833 20 10 CFCDMN CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748299 631464552 /nfs/dbraw/zinc/46/45/52/631464552.db2.gz KDPHUYUMBPKZFH-JTQLQIEISA-N 0 1 294.786 2.550 20 10 CFCDMN CCc1nncn1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756017 631466531 /nfs/dbraw/zinc/46/65/31/631466531.db2.gz TUGZHFMUEVEFIF-JTQLQIEISA-N 0 1 294.786 2.550 20 10 CFCDMN C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000841753514 631466988 /nfs/dbraw/zinc/46/69/88/631466988.db2.gz UYGOKGUZMGUOST-GFCCVEGCSA-N 0 1 280.799 2.958 20 10 CFCDMN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759054 631467945 /nfs/dbraw/zinc/46/79/45/631467945.db2.gz MYSZBNUZGWBASW-NQBHXWOUSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760562 631468257 /nfs/dbraw/zinc/46/82/57/631468257.db2.gz SNHZRVRKZPITNX-MNOVXSKESA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759055 631468317 /nfs/dbraw/zinc/46/83/17/631468317.db2.gz MYSZBNUZGWBASW-NTZNESFSSA-N 0 1 299.798 2.890 20 10 CFCDMN CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765294 631470108 /nfs/dbraw/zinc/47/01/08/631470108.db2.gz XOUOTKCKHMUCFX-TVQRCGJNSA-N 0 1 257.761 2.713 20 10 CFCDMN Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000842626110 631684396 /nfs/dbraw/zinc/68/43/96/631684396.db2.gz UYFWKZSBVFRIJD-INIZCTEOSA-N 0 1 293.432 2.717 20 10 CFCDMN CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000842911701 631780653 /nfs/dbraw/zinc/78/06/53/631780653.db2.gz MGQAOCFXEBYNGJ-IUIKQTSFSA-N 0 1 287.359 2.610 20 10 CFCDMN [NH3+]CC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843123444 631842681 /nfs/dbraw/zinc/84/26/81/631842681.db2.gz JLVHOJGPWDKOSR-LBPRGKRZSA-N 0 1 286.778 2.888 20 10 CFCDMN CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179615 632025311 /nfs/dbraw/zinc/02/53/11/632025311.db2.gz WIUOVNMIKMROLB-JTQLQIEISA-N 0 1 270.716 2.938 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844939672 632342990 /nfs/dbraw/zinc/34/29/90/632342990.db2.gz PKLQQLITYDSBRD-ONEGZZNKSA-N 0 1 288.391 2.562 20 10 CFCDMN [O-]c1c(C[NH+]2CCC(CO)CC2)ccc2ccccc21 ZINC000816484165 632468686 /nfs/dbraw/zinc/46/86/86/632468686.db2.gz RCWURZURVLIVCB-UHFFFAOYSA-N 0 1 271.360 2.750 20 10 CFCDMN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483185 632468829 /nfs/dbraw/zinc/46/88/29/632468829.db2.gz IQOHOHDARCJJPU-OAHLLOKOSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483185 632468833 /nfs/dbraw/zinc/46/88/33/632468833.db2.gz IQOHOHDARCJJPU-OAHLLOKOSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816488111 632469652 /nfs/dbraw/zinc/46/96/52/632469652.db2.gz IUOCBLGPFLUBNR-CQSZACIVSA-N 0 1 285.343 2.540 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816488111 632469658 /nfs/dbraw/zinc/46/96/58/632469658.db2.gz IUOCBLGPFLUBNR-CQSZACIVSA-N 0 1 285.343 2.540 20 10 CFCDMN C[N@H+](CCn1cccn1)Cc1ccc2ccccc2c1[O-] ZINC000816509687 632475923 /nfs/dbraw/zinc/47/59/23/632475923.db2.gz YWKFUYPWHXTVOO-UHFFFAOYSA-N 0 1 281.359 2.874 20 10 CFCDMN C[N@@H+](CCn1cccn1)Cc1ccc2ccccc2c1[O-] ZINC000816509687 632475925 /nfs/dbraw/zinc/47/59/25/632475925.db2.gz YWKFUYPWHXTVOO-UHFFFAOYSA-N 0 1 281.359 2.874 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816521129 632477783 /nfs/dbraw/zinc/47/77/83/632477783.db2.gz HTZFLGJDAWEFRU-WBMJQRKESA-N 0 1 271.360 2.748 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816521129 632477811 /nfs/dbraw/zinc/47/78/11/632477811.db2.gz HTZFLGJDAWEFRU-WBMJQRKESA-N 0 1 271.360 2.748 20 10 CFCDMN [O-]c1c(C[NH2+]C2CCC(O)CC2)ccc2ccccc21 ZINC000816528948 632479812 /nfs/dbraw/zinc/47/98/12/632479812.db2.gz ZCMKJPZIBHUQRZ-UHFFFAOYSA-N 0 1 271.360 2.939 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559027 632484276 /nfs/dbraw/zinc/48/42/76/632484276.db2.gz VDNNKEHZNWPQLI-HZPDHXFCSA-N 0 1 298.386 2.550 20 10 CFCDMN Cc1c(C[NH2+]Cc2ccc3ccccc3c2[O-])cnn1C ZINC000816559509 632484322 /nfs/dbraw/zinc/48/43/22/632484322.db2.gz MGEFLCRJCJCLDC-UHFFFAOYSA-N 0 1 281.359 2.877 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc2ccccc21 ZINC000816556534 632484521 /nfs/dbraw/zinc/48/45/21/632484521.db2.gz LXEJVRVVEQYYNR-OAHLLOKOSA-N 0 1 293.370 2.916 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816574397 632487851 /nfs/dbraw/zinc/48/78/51/632487851.db2.gz GHSBAOVWUYMOBA-LRDDRELGSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816574397 632487852 /nfs/dbraw/zinc/48/78/52/632487852.db2.gz GHSBAOVWUYMOBA-LRDDRELGSA-N 0 1 271.360 2.748 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000816574127 632488343 /nfs/dbraw/zinc/48/83/43/632488343.db2.gz XWQJNQITCAPGCO-CQSZACIVSA-N 0 1 285.746 2.796 20 10 CFCDMN [O-]c1c(C[NH2+]CC2=CCCOC2)ccc2ccccc21 ZINC000816611924 632494826 /nfs/dbraw/zinc/49/48/26/632494826.db2.gz AQIQCUCOSQHYFW-UHFFFAOYSA-N 0 1 269.344 2.982 20 10 CFCDMN CN1CCC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000816642452 632500778 /nfs/dbraw/zinc/50/07/78/632500778.db2.gz ZUZYJECCKAAZMT-MRXNPFEDSA-N 0 1 294.826 2.963 20 10 CFCDMN CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000816642452 632500781 /nfs/dbraw/zinc/50/07/81/632500781.db2.gz ZUZYJECCKAAZMT-MRXNPFEDSA-N 0 1 294.826 2.963 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2c(Cl)cnn2C)c1 ZINC000845972268 632606967 /nfs/dbraw/zinc/60/69/67/632606967.db2.gz QDJLFBPSOUWYDH-VIFPVBQESA-N 0 1 295.770 2.639 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(Cl)c1 ZINC000817413392 632625762 /nfs/dbraw/zinc/62/57/62/632625762.db2.gz XIVGVDDSFBXFBX-NEPJUHHUSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c(Cl)c1 ZINC000817413392 632625768 /nfs/dbraw/zinc/62/57/68/632625768.db2.gz XIVGVDDSFBXFBX-NEPJUHHUSA-N 0 1 283.799 2.804 20 10 CFCDMN COc1cccc([C@H](C)N[C@H](CCO)c2ccco2)c1O ZINC000846164802 632651180 /nfs/dbraw/zinc/65/11/80/632651180.db2.gz RHNGAORSZPJYGX-WCQYABFASA-N 0 1 291.347 2.768 20 10 CFCDMN CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000846208884 632660637 /nfs/dbraw/zinc/66/06/37/632660637.db2.gz NKXNTMWJHMVVDB-GHMZBOCLSA-N 0 1 296.798 2.565 20 10 CFCDMN CON1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000817587266 632671311 /nfs/dbraw/zinc/67/13/11/632671311.db2.gz CZDGXOGIBQTYQD-JTQLQIEISA-N 0 1 284.787 2.722 20 10 CFCDMN Cc1cc(C[N@H+](CC(=O)[O-])CC(C)C)ccc1N(C)C ZINC000846264919 632678158 /nfs/dbraw/zinc/67/81/58/632678158.db2.gz UGSKRLCDIACYEH-UHFFFAOYSA-N 0 1 278.396 2.604 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848638612 633306044 /nfs/dbraw/zinc/30/60/44/633306044.db2.gz AARYUVWBNJSBRD-SNAWJCMRSA-N 0 1 288.391 2.705 20 10 CFCDMN CN1CCN(CCCSc2ncc(Cl)s2)CC1 ZINC000850000094 633787096 /nfs/dbraw/zinc/78/70/96/633787096.db2.gz JFJLLTILHPPBRK-UHFFFAOYSA-N 0 1 291.873 2.526 20 10 CFCDMN COc1ccc(N2CC[C@@H](NCc3cscn3)C2)cc1 ZINC000850346691 633948904 /nfs/dbraw/zinc/94/89/04/633948904.db2.gz WYMCWCGCXJQKNO-GFCCVEGCSA-N 0 1 289.404 2.520 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388908 633971863 /nfs/dbraw/zinc/97/18/63/633971863.db2.gz RDYCRYLGZSSFJK-NSHDSACASA-N 0 1 269.772 2.544 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)c(O)c1 ZINC000850499784 634020030 /nfs/dbraw/zinc/02/00/30/634020030.db2.gz XIDMDZVONRZXMW-GVXVVHGQSA-N 0 1 272.352 2.649 20 10 CFCDMN CC[C@H](NCc1cn(CC)nn1)c1cc(Cl)ccc1O ZINC000850522716 634030868 /nfs/dbraw/zinc/03/08/68/634030868.db2.gz XOZXVEUNELMMRQ-ZDUSSCGKSA-N 0 1 294.786 2.898 20 10 CFCDMN COc1ccnc(CN[C@@H]2CCc3cccc(O)c32)c1F ZINC000850537636 634041929 /nfs/dbraw/zinc/04/19/29/634041929.db2.gz WGJIWFWZFNUPKB-LLVKDONJSA-N 0 1 288.322 2.712 20 10 CFCDMN COc1cccc([C@@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850571771 634057061 /nfs/dbraw/zinc/05/70/61/634057061.db2.gz AGXWIBUGGXLJGH-MNOVXSKESA-N 0 1 275.352 2.546 20 10 CFCDMN COc1cccc([C@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850571773 634057151 /nfs/dbraw/zinc/05/71/51/634057151.db2.gz AGXWIBUGGXLJGH-QWRGUYRKSA-N 0 1 275.352 2.546 20 10 CFCDMN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875062 636044451 /nfs/dbraw/zinc/04/44/51/636044451.db2.gz VEWSYGOIPSMOSQ-SJCJKPOMSA-N 0 1 296.370 2.756 20 10 CFCDMN CCc1nn(C)c(Cl)c1CNCc1cc(C)ccc1O ZINC000858237796 636160970 /nfs/dbraw/zinc/16/09/70/636160970.db2.gz PVUSKVPCZZBLPJ-UHFFFAOYSA-N 0 1 293.798 2.940 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000858297077 636180355 /nfs/dbraw/zinc/18/03/55/636180355.db2.gz ACYUOVLBXFGWBE-LRDDRELGSA-N 0 1 296.361 2.688 20 10 CFCDMN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858471133 636257953 /nfs/dbraw/zinc/25/79/53/636257953.db2.gz BIBASXMUKWPSTM-SKDRFNHKSA-N 0 1 295.766 2.958 20 10 CFCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)[C@H](C)CO1 ZINC000159765468 650276742 /nfs/dbraw/zinc/27/67/42/650276742.db2.gz BHGGQHAQNYQBFD-CHWSQXEVSA-N 0 1 275.392 2.880 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000049083403 650287013 /nfs/dbraw/zinc/28/70/13/650287013.db2.gz CSSLUJYQSBTOAI-JSGCOSHPSA-N 0 1 270.376 2.900 20 10 CFCDMN CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000862387883 637349852 /nfs/dbraw/zinc/34/98/52/637349852.db2.gz SWGUUUBSEFCPSE-SNVBAGLBSA-N 0 1 257.761 2.638 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000862387883 637349857 /nfs/dbraw/zinc/34/98/57/637349857.db2.gz SWGUUUBSEFCPSE-SNVBAGLBSA-N 0 1 257.761 2.638 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@@H](CCCO)C2)cc1F ZINC000862390860 637352906 /nfs/dbraw/zinc/35/29/06/637352906.db2.gz HNYUOOIGOOEEIX-GFCCVEGCSA-N 0 1 298.377 2.625 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000862417837 637369895 /nfs/dbraw/zinc/36/98/95/637369895.db2.gz CWSFBOGFRLCQBY-GHMZBOCLSA-N 0 1 266.335 2.873 20 10 CFCDMN Oc1c(CN2CC3(C2)CCCO3)ccc2ccccc21 ZINC000862484638 637399292 /nfs/dbraw/zinc/39/92/92/637399292.db2.gz XJTXGLPEUIUINR-UHFFFAOYSA-N 0 1 269.344 2.910 20 10 CFCDMN Oc1ccccc1CN1CCOc2cc(F)ccc2C1 ZINC000862551674 637422570 /nfs/dbraw/zinc/42/25/70/637422570.db2.gz WLEONOWLNVPDFJ-UHFFFAOYSA-N 0 1 273.307 2.926 20 10 CFCDMN CNC(=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864034830 637837859 /nfs/dbraw/zinc/83/78/59/637837859.db2.gz BIXNDSIPKZQWAT-UHFFFAOYSA-N 0 1 292.285 2.642 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000864049397 637843524 /nfs/dbraw/zinc/84/35/24/637843524.db2.gz HJEHBYPBRBOSHO-GASCZTMLSA-N 0 1 283.318 2.529 20 10 CFCDMN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000864525828 638012726 /nfs/dbraw/zinc/01/27/26/638012726.db2.gz MQWFPLVYZRVDOT-XCBNKYQSSA-N 0 1 287.718 2.528 20 10 CFCDMN c1cc(CNCc2ccc3c(c2)CCO3)n(CC2CCC2)n1 ZINC000865441689 638337831 /nfs/dbraw/zinc/33/78/31/638337831.db2.gz XDENBICATCDFAF-UHFFFAOYSA-N 0 1 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COC(C[N@H+](C)Cc1ccc2ccccc2c1[O-])OC ZINC001231880294 777363925 /nfs/dbraw/zinc/36/39/25/777363925.db2.gz BGRWOTMYWPTQAN-UHFFFAOYSA-N 0 1 275.348 2.596 20 10 CFCDMN COC(C[N@@H+](C)Cc1ccc2ccccc2c1[O-])OC ZINC001231880294 777363930 /nfs/dbraw/zinc/36/39/30/777363930.db2.gz BGRWOTMYWPTQAN-UHFFFAOYSA-N 0 1 275.348 2.596 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC2(COC2)C1 ZINC001231910879 777380759 /nfs/dbraw/zinc/38/07/59/777380759.db2.gz VEOZLZKYJMBCGB-UHFFFAOYSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001231909780 777380994 /nfs/dbraw/zinc/38/09/94/777380994.db2.gz PHAULHVFZODBCJ-CQSZACIVSA-N 0 1 287.762 2.732 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC001231912725 777381672 /nfs/dbraw/zinc/38/16/72/777381672.db2.gz UTXRCTCYPMRWPH-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CN1C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC001231912725 777381688 /nfs/dbraw/zinc/38/16/88/777381688.db2.gz UTXRCTCYPMRWPH-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CN1C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC001231912725 777381696 /nfs/dbraw/zinc/38/16/96/777381696.db2.gz UTXRCTCYPMRWPH-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CC[N@@H+](C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231913501 777382663 /nfs/dbraw/zinc/38/26/63/777382663.db2.gz KQFCAAWMUQSKQJ-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN Cc1nc2c(o1)CCN(Cc1cccc(Cl)c1O)C2 ZINC001231913694 777383198 /nfs/dbraw/zinc/38/31/98/777383198.db2.gz PUKGSHMVIJCSTO-UHFFFAOYSA-N 0 1 278.739 2.900 20 10 CFCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232258671 777496699 /nfs/dbraw/zinc/49/66/99/777496699.db2.gz CKVSPPCJJHOIEW-HNNXBMFYSA-N 0 1 299.798 2.736 20 10 CFCDMN C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232258671 777496703 /nfs/dbraw/zinc/49/67/03/777496703.db2.gz CKVSPPCJJHOIEW-HNNXBMFYSA-N 0 1 299.798 2.736 20 10 CFCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232258671 777496705 /nfs/dbraw/zinc/49/67/05/777496705.db2.gz CKVSPPCJJHOIEW-HNNXBMFYSA-N 0 1 299.798 2.736 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001232266404 777499399 /nfs/dbraw/zinc/49/93/99/777499399.db2.gz NQJSZSCQCHLMEN-GWCFXTLKSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001232266404 777499401 /nfs/dbraw/zinc/49/94/01/777499401.db2.gz NQJSZSCQCHLMEN-GWCFXTLKSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001232266404 777499404 /nfs/dbraw/zinc/49/94/04/777499404.db2.gz NQJSZSCQCHLMEN-GWCFXTLKSA-N 0 1 299.798 2.647 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(O)cc1O)CC1CCC1 ZINC001232268735 777501215 /nfs/dbraw/zinc/50/12/15/777501215.db2.gz QPACKUCAAPYBCV-UHFFFAOYSA-N 0 1 255.745 2.983 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)CC1CCC1 ZINC001232268735 777501217 /nfs/dbraw/zinc/50/12/17/777501217.db2.gz QPACKUCAAPYBCV-UHFFFAOYSA-N 0 1 255.745 2.983 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)CC1CCC1 ZINC001232268735 777501222 /nfs/dbraw/zinc/50/12/22/777501222.db2.gz QPACKUCAAPYBCV-UHFFFAOYSA-N 0 1 255.745 2.983 20 10 CFCDMN Oc1cc(CN2CCC23CCCCC3)cc(O)c1O ZINC001233014306 777763589 /nfs/dbraw/zinc/76/35/89/777763589.db2.gz ORAPQKCWNAZHTA-UHFFFAOYSA-N 0 1 263.337 2.712 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H](F)CC2)ccc(F)c1F ZINC001233074241 777787865 /nfs/dbraw/zinc/78/78/65/777787865.db2.gz LTCZYMJKOPHQAR-JTQLQIEISA-N 0 1 259.271 2.994 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc(F)c1F ZINC001233074368 777787888 /nfs/dbraw/zinc/78/78/88/777787888.db2.gz OKOXZWLFZJDPEV-ZWNOBZJWSA-N 0 1 283.318 2.671 20 10 CFCDMN Oc1c(CN2Cc3ncsc3C2)ccc(F)c1F ZINC001233079129 777788714 /nfs/dbraw/zinc/78/87/14/777788714.db2.gz WNUNSXICQDGKPO-UHFFFAOYSA-N 0 1 268.288 2.643 20 10 CFCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233077993 777788827 /nfs/dbraw/zinc/78/88/27/777788827.db2.gz ZZEIZDVCLKGTDZ-SCDSUCTJSA-N 0 1 297.345 2.917 20 10 CFCDMN Cc1nc2c(s1)C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233077665 777789872 /nfs/dbraw/zinc/78/98/72/777789872.db2.gz WACFHBMJQWYJJY-UHFFFAOYSA-N 0 1 296.342 2.994 20 10 CFCDMN Cc1nc2c(s1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233077665 777789877 /nfs/dbraw/zinc/78/98/77/777789877.db2.gz WACFHBMJQWYJJY-UHFFFAOYSA-N 0 1 296.342 2.994 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc(F)c1F ZINC001233076877 777789930 /nfs/dbraw/zinc/78/99/30/777789930.db2.gz WSCLKNHKXSUSKZ-HNNXBMFYSA-N 0 1 283.318 2.815 20 10 CFCDMN CC(C)(C)c1ccc(O)c(CN2CC[C@](F)(CO)C2)c1 ZINC001233284535 777867784 /nfs/dbraw/zinc/86/77/84/777867784.db2.gz YUEWTNUBYFLDMN-MRXNPFEDSA-N 0 1 281.371 2.596 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001233287898 777869073 /nfs/dbraw/zinc/86/90/73/777869073.db2.gz MFGYTKNWJGBSIR-BMIGLBTASA-N 0 1 299.798 2.647 20 10 CFCDMN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332373 777889549 /nfs/dbraw/zinc/88/95/49/777889549.db2.gz JDMZRZSRYFJRQA-JTQLQIEISA-N 0 1 271.307 2.671 20 10 CFCDMN [O-]c1ccc(F)c(F)c1CN1CCC([NH+]2CCCC2)CC1 ZINC001233331955 777891092 /nfs/dbraw/zinc/89/10/92/777891092.db2.gz RRUSGRYENSUPMU-UHFFFAOYSA-N 0 1 296.361 2.731 20 10 CFCDMN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335036 777893510 /nfs/dbraw/zinc/89/35/10/777893510.db2.gz FHUUYZGUZKEUBK-AOOOYVTPSA-N 0 1 253.292 2.758 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001233334707 777895032 /nfs/dbraw/zinc/89/50/32/777895032.db2.gz QNCIRPFDKWZSAO-VIFPVBQESA-N 0 1 259.271 2.852 20 10 CFCDMN CN1CC[C@H]([N@@H+](C)Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418786 777943233 /nfs/dbraw/zinc/94/32/33/777943233.db2.gz WMYVCDLANXUSOG-NSHDSACASA-N 0 1 288.313 2.547 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC3(COC3)C2)cccc1C(F)(F)F ZINC001233416834 777943467 /nfs/dbraw/zinc/94/34/67/777943467.db2.gz YELNKUBGPBSBED-UHFFFAOYSA-N 0 1 287.281 2.633 20 10 CFCDMN C[C@@H]1COCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452022 777957983 /nfs/dbraw/zinc/95/79/83/777957983.db2.gz HVGHLYGYBMXURW-JTQLQIEISA-N 0 1 289.297 2.879 20 10 CFCDMN C[C@@H]1COCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452022 777957988 /nfs/dbraw/zinc/95/79/88/777957988.db2.gz HVGHLYGYBMXURW-JTQLQIEISA-N 0 1 289.297 2.879 20 10 CFCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](CCO)Cc1cccs1 ZINC001142520686 778399192 /nfs/dbraw/zinc/39/91/92/778399192.db2.gz NTJAADONNQUIGI-UHFFFAOYSA-N 0 1 299.342 2.726 20 10 CFCDMN C[C@@H]1CC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235298776 778448448 /nfs/dbraw/zinc/44/84/48/778448448.db2.gz TXQNDDXLWHRLDV-SSDOTTSWSA-N 0 1 274.133 2.888 20 10 CFCDMN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001235450254 778494392 /nfs/dbraw/zinc/49/43/92/778494392.db2.gz OMTVSPVZZGHAON-DTWKUNHWSA-N 0 1 289.206 2.881 20 10 CFCDMN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235673891 778531661 /nfs/dbraw/zinc/53/16/61/778531661.db2.gz BAPWGIDKDVKBQZ-LBPRGKRZSA-N 0 1 263.381 2.910 20 10 CFCDMN CC(C)(C)c1ccc(CN2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001235685262 778537123 /nfs/dbraw/zinc/53/71/23/778537123.db2.gz OAHGEAUQPYMAFP-KBPBESRZSA-N 0 1 261.365 2.663 20 10 CFCDMN CN[C@H]1CCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001236167651 778722871 /nfs/dbraw/zinc/72/28/71/778722871.db2.gz SSANEZYUUZAGRK-QGZVFWFLSA-N 0 1 269.392 2.845 20 10 CFCDMN CC(C)CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236476247 778843732 /nfs/dbraw/zinc/84/37/32/778843732.db2.gz WVTPICHIQZVCDG-CYBMUJFWSA-N 0 1 298.377 2.880 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867606 778876109 /nfs/dbraw/zinc/87/61/09/778876109.db2.gz NGBCTGAHCPEXIN-XHDPSFHLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867606 778876115 /nfs/dbraw/zinc/87/61/15/778876115.db2.gz NGBCTGAHCPEXIN-XHDPSFHLSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1nc(C)c(CN2CCc3cccc(O)c3C2)o1 ZINC001236595909 778890202 /nfs/dbraw/zinc/89/02/02/778890202.db2.gz ZQHOXTHDSAULRJ-UHFFFAOYSA-N 0 1 258.321 2.555 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1(C)COC1 ZINC001236798053 778941212 /nfs/dbraw/zinc/94/12/12/778941212.db2.gz FWFYETNYCUPZIC-UHFFFAOYSA-N 0 1 276.163 2.920 20 10 CFCDMN CCc1ccc(CN2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC001236791555 778936563 /nfs/dbraw/zinc/93/65/63/778936563.db2.gz IQHMDMKFJZHZJZ-SFHVURJKSA-N 0 1 298.386 2.923 20 10 CFCDMN CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236791743 778937331 /nfs/dbraw/zinc/93/73/31/778937331.db2.gz JNRDULUBGWYTQP-QGZVFWFLSA-N 0 1 289.375 2.626 20 10 CFCDMN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794070 778938728 /nfs/dbraw/zinc/93/87/28/778938728.db2.gz PAHBFNZWLHOGBW-JTQLQIEISA-N 0 1 289.206 2.835 20 10 CFCDMN CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001236792825 778939370 /nfs/dbraw/zinc/93/93/70/778939370.db2.gz RUIIFCPSLBYQKD-GOEBONIOSA-N 0 1 261.365 2.565 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(Cl)c1 ZINC001236797563 778940653 /nfs/dbraw/zinc/94/06/53/778940653.db2.gz GUQVLLNNDKVHLE-BMIGLBTASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c(Cl)c1 ZINC001236797563 778940658 /nfs/dbraw/zinc/94/06/58/778940658.db2.gz GUQVLLNNDKVHLE-BMIGLBTASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1Cl ZINC001236800534 778942712 /nfs/dbraw/zinc/94/27/12/778942712.db2.gz ACRFVUNOVSSWEO-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(Cl)c1 ZINC001236800472 778943857 /nfs/dbraw/zinc/94/38/57/778943857.db2.gz ZKQJEXPCZFLDMN-QMTHXVAHSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(Cl)c1 ZINC001236800472 778943860 /nfs/dbraw/zinc/94/38/60/778943860.db2.gz ZKQJEXPCZFLDMN-QMTHXVAHSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001236800131 778943966 /nfs/dbraw/zinc/94/39/66/778943966.db2.gz WWIXMSZLEOPPDM-OAHLLOKOSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001236800131 778943968 /nfs/dbraw/zinc/94/39/68/778943968.db2.gz WWIXMSZLEOPPDM-OAHLLOKOSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1Cl ZINC001236801486 778944873 /nfs/dbraw/zinc/94/48/73/778944873.db2.gz JXEAJPVWJLPAGS-MEBBXXQBSA-N 0 1 299.798 2.647 20 10 CFCDMN CCC1(O)CC[NH+](Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236801946 778944926 /nfs/dbraw/zinc/94/49/26/778944926.db2.gz FPCULZZXMFKMHL-UHFFFAOYSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1ccc(CN2CC(F)(C3CC3)C2)c(O)c1Cl ZINC001236801214 778945318 /nfs/dbraw/zinc/94/53/18/778945318.db2.gz HQTYSXOSSJWKGA-UHFFFAOYSA-N 0 1 285.746 2.988 20 10 CFCDMN COc1cc(C)c(CN2CCCC[C@@H]2C(C)=O)c(O)c1 ZINC001236817659 778951795 /nfs/dbraw/zinc/95/17/95/778951795.db2.gz FRYGQZFILUHQQE-OAHLLOKOSA-N 0 1 277.364 2.653 20 10 CFCDMN C[C@@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826764 778955103 /nfs/dbraw/zinc/95/51/03/778955103.db2.gz MLMRXNRMKTWIRU-QGZVFWFLSA-N 0 1 271.360 2.750 20 10 CFCDMN C[C@@]1(O)CC[N@@H+](Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236826433 778955398 /nfs/dbraw/zinc/95/53/98/778955398.db2.gz JIQZRUVUUIOLEC-DLBZAZTESA-N 0 1 289.350 2.840 20 10 CFCDMN C[C@@]1(O)CCN(Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236826433 778955401 /nfs/dbraw/zinc/95/54/01/778955401.db2.gz JIQZRUVUUIOLEC-DLBZAZTESA-N 0 1 289.350 2.840 20 10 CFCDMN Oc1cc2ccccc2cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001236832646 778957438 /nfs/dbraw/zinc/95/74/38/778957438.db2.gz JUQGUGOQVCRTID-GASCZTMLSA-N 0 1 255.317 2.519 20 10 CFCDMN CC[C@H]([NH3+])CN(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236885217 778973279 /nfs/dbraw/zinc/97/32/79/778973279.db2.gz XUDYIEVNBACKLO-VIFPVBQESA-N 0 1 277.195 2.868 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](C(C)=O)C2)c(O)c1 ZINC001237045223 778997039 /nfs/dbraw/zinc/99/70/39/778997039.db2.gz ZCJOGYWQAPVEKX-CYBMUJFWSA-N 0 1 277.364 2.592 20 10 CFCDMN CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001237048905 778998569 /nfs/dbraw/zinc/99/85/69/778998569.db2.gz ZQCIBBQGQHZBGA-OAHLLOKOSA-N 0 1 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[O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001237800377 779181945 /nfs/dbraw/zinc/18/19/45/779181945.db2.gz YGPFYGHWMJELPE-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237807456 779184363 /nfs/dbraw/zinc/18/43/63/779184363.db2.gz JDMPZZKYRVJISZ-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@H]1CO ZINC001237808965 779184804 /nfs/dbraw/zinc/18/48/04/779184804.db2.gz XGJKGBCCBFSBQI-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC1(C)COC1 ZINC001237935160 779209461 /nfs/dbraw/zinc/20/94/61/779209461.db2.gz AJZVJBZSOYBFJP-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN C[NH+](C)[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237936972 779210765 /nfs/dbraw/zinc/21/07/65/779210765.db2.gz MSYIVESJZVVOOC-NSHDSACASA-N 0 1 286.778 2.711 20 10 CFCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941605 779213414 /nfs/dbraw/zinc/21/34/14/779213414.db2.gz 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/nfs/dbraw/zinc/27/52/98/781275298.db2.gz CDQXGFPKZSAHAO-CYBMUJFWSA-N 0 1 293.260 2.526 20 10 CFCDMN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000708695686 781276947 /nfs/dbraw/zinc/27/69/47/781276947.db2.gz PMPIKDFYQPAAEM-WVSHTKLVSA-N 0 1 255.745 2.560 20 10 CFCDMN CCC[C@@H]1CN(Cc2cccc(CC)c2O)CCO1 ZINC000709023212 781287940 /nfs/dbraw/zinc/28/79/40/781287940.db2.gz ZKGODPRFSHJTMP-OAHLLOKOSA-N 0 1 263.381 2.956 20 10 CFCDMN Cc1nnc([C@H](C)NCc2cc(F)cc(F)c2O)s1 ZINC000708535668 781292724 /nfs/dbraw/zinc/29/27/24/781292724.db2.gz OXOWJXFHJMDJFC-LURJTMIESA-N 0 1 285.319 2.681 20 10 CFCDMN C[C@H]1OCC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000180257462 291205947 /nfs/dbraw/zinc/20/59/47/291205947.db2.gz FCGKNKLAHATLMR-NXEZZACHSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000180257462 291205948 /nfs/dbraw/zinc/20/59/48/291205948.db2.gz FCGKNKLAHATLMR-NXEZZACHSA-N 0 1 255.745 2.655 20 10 CFCDMN CCCOc1ccc(CN2CCOC[C@@H]2C2CC2)c(O)c1 ZINC000093645696 375284610 /nfs/dbraw/zinc/28/46/10/375284610.db2.gz YODAYBANQSEGKE-MRXNPFEDSA-N 0 1 291.391 2.792 20 10 CFCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109769113 375823373 /nfs/dbraw/zinc/82/33/73/375823373.db2.gz ALYHVXVBVBWZMR-MRXNPFEDSA-N 0 1 296.370 2.630 20 10 CFCDMN CCCCC[C@H](C)NC(=O)CN(C)Cc1ccccc1O ZINC000111236101 375835106 /nfs/dbraw/zinc/83/51/06/375835106.db2.gz HZESLKLGUAQZIO-AWEZNQCLSA-N 0 1 292.423 2.909 20 10 CFCDMN CCC[N@H+](CCCC(=O)OC)Cc1ccccc1[O-] ZINC000112639885 375940373 /nfs/dbraw/zinc/94/03/73/375940373.db2.gz VUORFISHMSRZLG-UHFFFAOYSA-N 0 1 265.353 2.557 20 10 CFCDMN CCC[N@@H+](CCCC(=O)OC)Cc1ccccc1[O-] ZINC000112639885 375940376 /nfs/dbraw/zinc/94/03/76/375940376.db2.gz VUORFISHMSRZLG-UHFFFAOYSA-N 0 1 265.353 2.557 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)OC[C@@H]2CC)c1O ZINC000131512601 377722625 /nfs/dbraw/zinc/72/26/25/377722625.db2.gz ZSGJMSMLYUDURE-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1ccc(O)c(CN2Cc3ccccc3C2)c1 ZINC000133781056 377956712 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382177100 /nfs/dbraw/zinc/17/71/00/382177100.db2.gz BUQXDYASAAHMLQ-ZDUSSCGKSA-N 0 1 297.782 2.821 20 10 CFCDMN COCC1=CC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000187613936 382226842 /nfs/dbraw/zinc/22/68/42/382226842.db2.gz NFMDWMMBGJUGRE-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN Cc1cc(CN2CCOC3(CCC3)C2)ccc1N(C)C ZINC000293797641 382283020 /nfs/dbraw/zinc/28/30/20/382283020.db2.gz NAOXYXWIDUGENQ-UHFFFAOYSA-N 0 1 274.408 2.816 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c([O-])cccc1Cl ZINC000377626898 382305671 /nfs/dbraw/zinc/30/56/71/382305671.db2.gz LHHOETSUQIVBQG-SQXIKUFJSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c([O-])cccc1Cl ZINC000377626898 382305677 /nfs/dbraw/zinc/30/56/77/382305677.db2.gz LHHOETSUQIVBQG-SQXIKUFJSA-N 0 1 293.794 2.901 20 10 CFCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000294149808 382434625 /nfs/dbraw/zinc/43/46/25/382434625.db2.gz VHQGYOFJBQTNSC-MRXNPFEDSA-N 0 1 281.371 2.762 20 10 CFCDMN C[N@@H+](CCCn1ccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294061508 382399440 /nfs/dbraw/zinc/39/94/40/382399440.db2.gz XVACBOBLXYECEX-UHFFFAOYSA-N 0 1 297.761 2.903 20 10 CFCDMN Cc1nc(CNCc2cccc(C)c2O)c2n1CCCC2 ZINC000378522779 382477747 /nfs/dbraw/zinc/47/77/47/382477747.db2.gz YMIXVCHSHMRSDC-UHFFFAOYSA-N 0 1 285.391 2.832 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000378538099 382479468 /nfs/dbraw/zinc/47/94/68/382479468.db2.gz ZZKJCYBEOINOKU-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H](O)CC1CCCC1 ZINC000190860902 382682925 /nfs/dbraw/zinc/68/29/25/382682925.db2.gz DOCUFRUBMZTBFI-HNNXBMFYSA-N 0 1 263.381 2.765 20 10 CFCDMN CN(C)C(=O)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000271051361 385320705 /nfs/dbraw/zinc/32/07/05/385320705.db2.gz VUZABJHXDFLLGA-UHFFFAOYSA-N 0 1 298.386 2.579 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C ZINC000282471917 385320773 /nfs/dbraw/zinc/32/07/73/385320773.db2.gz KSZHUVBYAUHKSB-HNNXBMFYSA-N 0 1 290.407 2.615 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2cccnc2)cc1F ZINC000272863823 385635676 /nfs/dbraw/zinc/63/56/76/385635676.db2.gz VGZRQSDUNIPXIZ-UHFFFAOYSA-N 0 1 273.355 2.919 20 10 CFCDMN CC1([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)OCCO1 ZINC000273184541 385673489 /nfs/dbraw/zinc/67/34/89/385673489.db2.gz OUBKQVBJJPHIAI-CYBMUJFWSA-N 0 1 295.354 2.506 20 10 CFCDMN CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000273497274 385685953 /nfs/dbraw/zinc/68/59/53/385685953.db2.gz PKXZCZYMAJNHPW-ZYHUDNBSSA-N 0 1 296.798 2.706 20 10 CFCDMN CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000273497270 385686456 /nfs/dbraw/zinc/68/64/56/385686456.db2.gz PKXZCZYMAJNHPW-PWSUYJOCSA-N 0 1 296.798 2.706 20 10 CFCDMN CCCCCCNC(=O)CN(C)Cc1ccccc1O ZINC000109773496 393879781 /nfs/dbraw/zinc/87/97/81/393879781.db2.gz ZUJUEQICSODQHD-UHFFFAOYSA-N 0 1 278.396 2.521 20 10 CFCDMN OCCCN(Cc1cccc(Cl)c1O)CC(F)(F)F ZINC000271745582 394022453 /nfs/dbraw/zinc/02/24/53/394022453.db2.gz SMCQHWCOSWXOBT-UHFFFAOYSA-N 0 1 297.704 2.792 20 10 CFCDMN Cc1c[nH]nc1CNCc1c(C)c2ccccc2n1C ZINC000352951680 394022650 /nfs/dbraw/zinc/02/26/50/394022650.db2.gz VGHLVXBAHQKECK-UHFFFAOYSA-N 0 1 268.364 2.808 20 10 CFCDMN CCn1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000122453048 393968477 /nfs/dbraw/zinc/96/84/77/393968477.db2.gz AGEXVNWNPHWCQB-LBPRGKRZSA-N 0 1 290.386 2.959 20 10 CFCDMN CC[C@@H](c1ccccc1O)N1CCn2cncc2C1 ZINC000368215808 267152746 /nfs/dbraw/zinc/15/27/46/267152746.db2.gz OKIQKHXNODRTTM-AWEZNQCLSA-N 0 1 257.337 2.556 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000371412893 267401066 /nfs/dbraw/zinc/40/10/66/267401066.db2.gz YMKGCISFHHINHC-HOTGVXAUSA-N 0 1 260.381 2.506 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc2ccccc2c1[O-] ZINC000036794268 278361164 /nfs/dbraw/zinc/36/11/64/278361164.db2.gz OFIXWJPTTWRCFC-NEPJUHHUSA-N 0 1 286.375 2.673 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1[O-] ZINC000368098930 288072648 /nfs/dbraw/zinc/07/26/48/288072648.db2.gz 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/nfs/dbraw/zinc/62/95/32/519629532.db2.gz QJKIHINBEPPTRW-UHFFFAOYSA-N 0 1 258.705 2.794 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@H]3CCC[C@H]32)c(O)c1 ZINC000228144629 520350749 /nfs/dbraw/zinc/35/07/49/520350749.db2.gz SVRSWQRFROYZRO-WBVHZDCISA-N 0 1 291.391 2.934 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000280482842 521146623 /nfs/dbraw/zinc/14/66/23/521146623.db2.gz DSRFUAWUOFPKRU-SJCJKPOMSA-N 0 1 291.391 2.790 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H](C)OC ZINC000291012860 521281237 /nfs/dbraw/zinc/28/12/37/521281237.db2.gz BEWOCPVWDXFMIL-JTQLQIEISA-N 0 1 257.761 2.902 20 10 CFCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@H](C)OC ZINC000291012860 521281246 /nfs/dbraw/zinc/28/12/46/521281246.db2.gz BEWOCPVWDXFMIL-JTQLQIEISA-N 0 1 257.761 2.902 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)OC ZINC000291135721 521342930 /nfs/dbraw/zinc/34/29/30/521342930.db2.gz XASREMQFTPXYAV-SNVBAGLBSA-N 0 1 257.761 2.902 20 10 CFCDMN CCN(Cc1ccnn1C)Cc1ccc(N(C)C)cc1 ZINC000156845114 521426018 /nfs/dbraw/zinc/42/60/18/521426018.db2.gz GNAINUSDFUNEMN-UHFFFAOYSA-N 0 1 272.396 2.508 20 10 CFCDMN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000278419019 521653140 /nfs/dbraw/zinc/65/31/40/521653140.db2.gz IJJIMRDEZAMPKI-VLRKGOCCSA-N 0 1 299.798 2.626 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)OCC ZINC000076074180 521690877 /nfs/dbraw/zinc/69/08/77/521690877.db2.gz ZTKAQIKJPBGTBF-LBPRGKRZSA-N 0 1 265.353 2.556 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278261270 521870775 /nfs/dbraw/zinc/87/07/75/521870775.db2.gz QMNGJDFEDMZAAD-UHFFFAOYSA-N 0 1 292.335 2.685 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278236327 521873422 /nfs/dbraw/zinc/87/34/22/521873422.db2.gz NKCVXSGCJUHCOV-VHSXEESVSA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278238716 521875924 /nfs/dbraw/zinc/87/59/24/521875924.db2.gz NQGQPIXHCOXPFK-MNOVXSKESA-N 0 1 294.351 2.929 20 10 CFCDMN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094949595 522144258 /nfs/dbraw/zinc/14/42/58/522144258.db2.gz WJTFPQAXNSNBEO-WDEREUQCSA-N 0 1 255.333 2.591 20 10 CFCDMN CCc1nc(C)c(CNCc2cccc(OC)c2O)o1 ZINC000291816714 522206044 /nfs/dbraw/zinc/20/60/44/522206044.db2.gz RUQIVPHPKVRZDG-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000275296315 523568230 /nfs/dbraw/zinc/56/82/30/523568230.db2.gz YYXGTRQPMDRUTO-LSDHHAIUSA-N 0 1 295.354 2.781 20 10 CFCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295285 523614515 /nfs/dbraw/zinc/61/45/15/523614515.db2.gz CCSQPAWMYRSVGZ-CMPLNLGQSA-N 0 1 294.351 2.929 20 10 CFCDMN COC(=O)[C@H](C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000191645511 523878189 /nfs/dbraw/zinc/87/81/89/523878189.db2.gz NMUUMHWBOIXTBX-JTQLQIEISA-N 0 1 297.782 2.962 20 10 CFCDMN CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000287503534 523937621 /nfs/dbraw/zinc/93/76/21/523937621.db2.gz UDJQWKXTWZICGE-JTQLQIEISA-N 0 1 299.798 2.841 20 10 CFCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000287503534 523937627 /nfs/dbraw/zinc/93/76/27/523937627.db2.gz UDJQWKXTWZICGE-JTQLQIEISA-N 0 1 299.798 2.841 20 10 CFCDMN CO[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000221275866 524007619 /nfs/dbraw/zinc/00/76/19/524007619.db2.gz RLYRESLYSXSGLA-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C ZINC000221275866 524007621 /nfs/dbraw/zinc/00/76/21/524007621.db2.gz RLYRESLYSXSGLA-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000186554240 524765660 /nfs/dbraw/zinc/76/56/60/524765660.db2.gz HKJMBZVZLGHIII-BXUZGUMPSA-N 0 1 291.347 2.768 20 10 CFCDMN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000279054483 525442247 /nfs/dbraw/zinc/44/22/47/525442247.db2.gz KJNONUHENHCFPX-VHSXEESVSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cn[nH]c1 ZINC000229881525 525512431 /nfs/dbraw/zinc/51/24/31/525512431.db2.gz XCSAPVORPUEUBJ-MRVPVSSYSA-N 0 1 296.168 2.729 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000185783590 525594038 /nfs/dbraw/zinc/59/40/38/525594038.db2.gz XBMOIPGZWFZVQH-WDEREUQCSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881351 525621099 /nfs/dbraw/zinc/62/10/99/525621099.db2.gz GDBRDPLWDDEMNB-LEWSCRJBSA-N 0 1 296.361 2.948 20 10 CFCDMN C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881351 525621104 /nfs/dbraw/zinc/62/11/04/525621104.db2.gz GDBRDPLWDDEMNB-LEWSCRJBSA-N 0 1 296.361 2.948 20 10 CFCDMN CSC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076769230 525692812 /nfs/dbraw/zinc/69/28/12/525692812.db2.gz RBLYQCNXGNGSNZ-QMMMGPOBSA-N 0 1 290.226 2.996 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289972829 525819399 /nfs/dbraw/zinc/81/93/99/525819399.db2.gz ZMGUFSITBHVABM-HIFRSBDPSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000289972829 525819408 /nfs/dbraw/zinc/81/94/08/525819408.db2.gz ZMGUFSITBHVABM-HIFRSBDPSA-N 0 1 263.381 2.908 20 10 CFCDMN COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000171859288 525915359 /nfs/dbraw/zinc/91/53/59/525915359.db2.gz HRKQUMYQJPVHFZ-UHFFFAOYSA-N 0 1 285.391 2.788 20 10 CFCDMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)Cc1ccccc1O ZINC000736715161 574067958 /nfs/dbraw/zinc/06/79/58/574067958.db2.gz OBPNRNOTGNOEIL-SNVBAGLBSA-N 0 1 275.304 2.876 20 10 CFCDMN Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1F ZINC000731489819 574122427 /nfs/dbraw/zinc/12/24/27/574122427.db2.gz NJHZGPFOJKZEEP-NTEUORMPSA-N 0 1 296.301 2.596 20 10 CFCDMN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756569782 574122755 /nfs/dbraw/zinc/12/27/55/574122755.db2.gz RWNYXHFJHRVXOS-LKFCYVNXSA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000756583745 574126942 /nfs/dbraw/zinc/12/69/42/574126942.db2.gz ATUKGDCJZGYLQH-VIFPVBQESA-N 0 1 265.744 2.928 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000737477379 574144391 /nfs/dbraw/zinc/14/43/91/574144391.db2.gz ROGZXMWRIRHBJR-UHFFFAOYSA-N 0 1 288.347 2.676 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000738158144 574158950 /nfs/dbraw/zinc/15/89/50/574158950.db2.gz KQCHODIWSIVBLQ-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCCO1 ZINC000738158144 574158951 /nfs/dbraw/zinc/15/89/51/574158951.db2.gz KQCHODIWSIVBLQ-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000756338500 574226425 /nfs/dbraw/zinc/22/64/25/574226425.db2.gz LUYXHYXEBSFQBB-CQSZACIVSA-N 0 1 290.388 2.730 20 10 CFCDMN Cn1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000748098876 574228180 /nfs/dbraw/zinc/22/81/80/574228180.db2.gz QPCSANIYFLRIJW-UHFFFAOYSA-N 0 1 295.180 2.783 20 10 CFCDMN Cn1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000748099597 574229225 /nfs/dbraw/zinc/22/92/25/574229225.db2.gz YRESWEVKODLJSD-UHFFFAOYSA-N 0 1 250.729 2.674 20 10 CFCDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000756364238 574229903 /nfs/dbraw/zinc/22/99/03/574229903.db2.gz SDUGBPWDTIUFQW-OAHLLOKOSA-N 0 1 272.396 2.727 20 10 CFCDMN C[N@@H+](CC(=O)[O-])Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739631311 574241320 /nfs/dbraw/zinc/24/13/20/574241320.db2.gz AXAVDNFQSUYUAK-UHFFFAOYSA-N 0 1 289.331 2.534 20 10 CFCDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756503821 574242021 /nfs/dbraw/zinc/24/20/21/574242021.db2.gz NBAAMPNOCSJVOF-ZJUUUORDSA-N 0 1 272.339 2.661 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756536882 574244458 /nfs/dbraw/zinc/24/44/58/574244458.db2.gz XBJABEDJMUOEJC-CMPLNLGQSA-N 0 1 280.799 2.933 20 10 CFCDMN C[C@H]1C[C@@H](NCc2cc[nH]n2)c2c1c(F)ccc2O ZINC000756554915 574246858 /nfs/dbraw/zinc/24/68/58/574246858.db2.gz KBBIYLYKCDKLOV-GZMMTYOYSA-N 0 1 261.300 2.593 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756620785 574252420 /nfs/dbraw/zinc/25/24/20/574252420.db2.gz MRPMONONXIBFCW-SCVCMEIPSA-N 0 1 267.344 2.688 20 10 CFCDMN C[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756620781 574252781 /nfs/dbraw/zinc/25/27/81/574252781.db2.gz MRPMONONXIBFCW-FOGDFJRCSA-N 0 1 267.344 2.688 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)CO)c2c1c(F)ccc2[O-] ZINC000756760892 574261021 /nfs/dbraw/zinc/26/10/21/574261021.db2.gz RRUIHJFIWZGCQC-KOLCDFICSA-N 0 1 267.344 2.688 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000756762255 574261384 /nfs/dbraw/zinc/26/13/84/574261384.db2.gz WWKKGLBCWFFQNL-VIFPVBQESA-N 0 1 257.761 2.715 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ncccc2F)c1 ZINC000756769408 574261400 /nfs/dbraw/zinc/26/14/00/574261400.db2.gz QHVYJHUXKATIOS-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000756770128 574261827 /nfs/dbraw/zinc/26/18/27/574261827.db2.gz SLMKDRGXJIQKRZ-CABZTGNLSA-N 0 1 269.772 2.857 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756773613 574261854 /nfs/dbraw/zinc/26/18/54/574261854.db2.gz AERCQBKBCMRWCO-IRUJWGPZSA-N 0 1 296.798 2.611 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)c2c1c(F)ccc2[O-] ZINC000756770523 574261927 /nfs/dbraw/zinc/26/19/27/574261927.db2.gz KYOWVMJAHNXXMB-UZWSLXQKSA-N 0 1 279.355 2.973 20 10 CFCDMN CN(C)c1ccc(CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000734847785 574304184 /nfs/dbraw/zinc/30/41/84/574304184.db2.gz UROKQJSDESYFMJ-QGZVFWFLSA-N 0 1 288.366 2.715 20 10 CFCDMN CCC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000742221450 574319500 /nfs/dbraw/zinc/31/95/00/574319500.db2.gz ZLCQFLQOIKJJMR-UHFFFAOYSA-N 0 1 296.798 2.536 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813673 574395507 /nfs/dbraw/zinc/39/55/07/574395507.db2.gz RRWGAFRTAMTMMO-OCCSQVGLSA-N 0 1 286.375 2.676 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813673 574395508 /nfs/dbraw/zinc/39/55/08/574395508.db2.gz RRWGAFRTAMTMMO-OCCSQVGLSA-N 0 1 286.375 2.676 20 10 CFCDMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccccc1O ZINC000830362532 601418041 /nfs/dbraw/zinc/41/80/41/601418041.db2.gz BODQUSZBEKWLIR-UHFFFAOYSA-N 0 1 289.331 2.878 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000832900222 601819770 /nfs/dbraw/zinc/81/97/70/601819770.db2.gz TYPBJZXIXOQMSL-IUODEOHRSA-N 0 1 291.391 2.977 20 10 CFCDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000833827833 605682046 /nfs/dbraw/zinc/68/20/46/605682046.db2.gz BCEGMNXVRYNVFQ-NXEZZACHSA-N 0 1 298.770 2.524 20 10 CFCDMN CC[C@@H]([NH2+]CC1(N)CC1)c1cccc(Cl)c1[O-] ZINC000902407585 621056289 /nfs/dbraw/zinc/05/62/89/621056289.db2.gz RDPZUFAWKLEQJI-LLVKDONJSA-N 0 1 254.761 2.578 20 10 CFCDMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760174 617837626 /nfs/dbraw/zinc/83/76/26/617837626.db2.gz KVVDUXKTLNMAJA-GHMZBOCLSA-N 0 1 296.798 2.535 20 10 CFCDMN CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758314 617836206 /nfs/dbraw/zinc/83/62/06/617836206.db2.gz VIFAIJPZLUVQQN-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758314 617836213 /nfs/dbraw/zinc/83/62/13/617836213.db2.gz VIFAIJPZLUVQQN-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN Cc1ccc2ncc(CN(C)Cc3ccccc3O)n2c1 ZINC000091974759 617932104 /nfs/dbraw/zinc/93/21/04/617932104.db2.gz IJGPMFWOKVMXPD-UHFFFAOYSA-N 0 1 281.359 2.980 20 10 CFCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000237543067 618101964 /nfs/dbraw/zinc/10/19/64/618101964.db2.gz OJFMTSUMEZLUFU-HNNXBMFYSA-N 0 1 297.402 2.769 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cn2cccn2)c(Cl)c1 ZINC000840877742 618235019 /nfs/dbraw/zinc/23/50/19/618235019.db2.gz KQOMHQTZJWJSRO-NSHDSACASA-N 0 1 279.771 2.729 20 10 CFCDMN Cc1noc(C)c1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893961572 618248129 /nfs/dbraw/zinc/24/81/29/618248129.db2.gz CJZSQALHHHUITF-UHFFFAOYSA-N 0 1 282.290 2.907 20 10 CFCDMN COc1cc(C)cc(C[N@H+]2CCc3ccc(O)cc3C2)c1O ZINC000893962481 618248192 /nfs/dbraw/zinc/24/81/92/618248192.db2.gz OILVOXXPEPZNOA-UHFFFAOYSA-N 0 1 299.370 2.973 20 10 CFCDMN COc1cc(C)cc(CN2CCc3ccc(O)cc3C2)c1O ZINC000893962481 618248194 /nfs/dbraw/zinc/24/81/94/618248194.db2.gz OILVOXXPEPZNOA-UHFFFAOYSA-N 0 1 299.370 2.973 20 10 CFCDMN CCC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C)C1 ZINC000895077201 618265603 /nfs/dbraw/zinc/26/56/03/618265603.db2.gz CBXTUKUWYCSGRV-ZDUSSCGKSA-N 0 1 284.350 2.587 20 10 CFCDMN CC[C@H](N[C@H](C)c1nncn1C)c1cc(Cl)ccc1O ZINC000775498328 618271270 /nfs/dbraw/zinc/27/12/70/618271270.db2.gz JAUNTBRPFLHDNM-SKDRFNHKSA-N 0 1 294.786 2.976 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894046660 618288625 /nfs/dbraw/zinc/28/86/25/618288625.db2.gz XWHMDTIBBCAGGX-RISCZKNCSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894046660 618288629 /nfs/dbraw/zinc/28/86/29/618288629.db2.gz XWHMDTIBBCAGGX-RISCZKNCSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894050600 618290851 /nfs/dbraw/zinc/29/08/51/618290851.db2.gz QYPCFEYKVXNIKZ-ABAIWWIYSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894050600 618290853 /nfs/dbraw/zinc/29/08/53/618290853.db2.gz QYPCFEYKVXNIKZ-ABAIWWIYSA-N 0 1 298.377 2.833 20 10 CFCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894095986 618322078 /nfs/dbraw/zinc/32/20/78/618322078.db2.gz SUNCCGCTTLJDGZ-CYBMUJFWSA-N 0 1 285.334 2.917 20 10 CFCDMN CC[C@@]1(C)CN(Cc2cc(OC)c(C)cc2O)CCO1 ZINC000190327418 618366385 /nfs/dbraw/zinc/36/63/85/618366385.db2.gz RPGJQCFCSPSKTC-INIZCTEOSA-N 0 1 279.380 2.710 20 10 CFCDMN CCC(O)(CC)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877659355 618455617 /nfs/dbraw/zinc/45/56/17/618455617.db2.gz QAGZQVOFTLQPEE-UHFFFAOYSA-N 0 1 273.323 2.653 20 10 CFCDMN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000895437476 618585652 /nfs/dbraw/zinc/58/56/52/618585652.db2.gz LYYMWDDXSWGHLE-HUUCEWRRSA-N 0 1 279.380 2.526 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCN2C)c(Cl)c1 ZINC000840883925 618646488 /nfs/dbraw/zinc/64/64/88/618646488.db2.gz HGDNPYIHOBRUQV-NSHDSACASA-N 0 1 268.788 2.538 20 10 CFCDMN Cc1cc(CNCc2ccc3c(c2)CCO3)cnc1F ZINC000892791975 618746943 /nfs/dbraw/zinc/74/69/43/618746943.db2.gz CGJHACTYVIXZDX-UHFFFAOYSA-N 0 1 272.323 2.754 20 10 CFCDMN CC[C@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840895315 618779512 /nfs/dbraw/zinc/77/95/12/618779512.db2.gz JTSOGCMBXOYMQS-ZDUSSCGKSA-N 0 1 257.761 2.605 20 10 CFCDMN COc1ncccc1CNCc1ccc(N(C)C)cc1C ZINC000840928714 619066665 /nfs/dbraw/zinc/06/66/65/619066665.db2.gz GNLWDUMULFCNHD-UHFFFAOYSA-N 0 1 285.391 2.754 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000840936624 619077341 /nfs/dbraw/zinc/07/73/41/619077341.db2.gz NCPBDEHNUZKMNT-MRXNPFEDSA-N 0 1 284.407 2.951 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCCCO)c(Cl)c1 ZINC000840941565 619088245 /nfs/dbraw/zinc/08/82/45/619088245.db2.gz CKEVUDSCPNBWJP-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCCCO)c(Cl)c1 ZINC000840941565 619088247 /nfs/dbraw/zinc/08/82/47/619088247.db2.gz CKEVUDSCPNBWJP-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN CN(Cc1ncc[nH]1)Cc1cc(Cl)cc(F)c1O ZINC000894585955 619424776 /nfs/dbraw/zinc/42/47/76/619424776.db2.gz IZXQUGHFHKCZFQ-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000894890223 619499762 /nfs/dbraw/zinc/49/97/62/619499762.db2.gz ZWRBXPASHLJVEH-NWANDNLSSA-N 0 1 297.345 2.796 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000894915319 619512381 /nfs/dbraw/zinc/51/23/81/619512381.db2.gz RIKCEEGZKGDQTL-GFCCVEGCSA-N 0 1 287.350 2.899 20 10 CFCDMN CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895670088 619582358 /nfs/dbraw/zinc/58/23/58/619582358.db2.gz BPUGJQYWHLUVEJ-GFCCVEGCSA-N 0 1 268.788 2.538 20 10 CFCDMN CCN1CC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895672649 619583426 /nfs/dbraw/zinc/58/34/26/619583426.db2.gz XGGSJTRIFFUFPH-OAHLLOKOSA-N 0 1 270.376 2.729 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895778664 619605376 /nfs/dbraw/zinc/60/53/76/619605376.db2.gz CMJWKEGYYDBLMA-AOOOYVTPSA-N 0 1 269.797 2.840 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895778664 619605379 /nfs/dbraw/zinc/60/53/79/619605379.db2.gz CMJWKEGYYDBLMA-AOOOYVTPSA-N 0 1 269.797 2.840 20 10 CFCDMN COC(OC)[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895790425 619607473 /nfs/dbraw/zinc/60/74/73/619607473.db2.gz JIFVUYCGRCXNNP-NSHDSACASA-N 0 1 275.348 2.642 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844718 619618159 /nfs/dbraw/zinc/61/81/59/619618159.db2.gz OGWMYMMJSAINHV-YGRLFVJLSA-N 0 1 283.318 2.671 20 10 CFCDMN CC(C)OC1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000895954801 619644075 /nfs/dbraw/zinc/64/40/75/619644075.db2.gz HECYFPIIUQBLAW-UHFFFAOYSA-N 0 1 273.735 2.794 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(Cl)c1 ZINC000896382713 619726297 /nfs/dbraw/zinc/72/62/97/619726297.db2.gz YSDFVVVITGCKHP-LLVKDONJSA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(Cl)c1 ZINC000896382713 619726300 /nfs/dbraw/zinc/72/63/00/619726300.db2.gz YSDFVVVITGCKHP-LLVKDONJSA-N 0 1 297.782 2.549 20 10 CFCDMN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000896584061 619767414 /nfs/dbraw/zinc/76/74/14/619767414.db2.gz LLINAMBACDCNCW-GFCCVEGCSA-N 0 1 266.360 2.503 20 10 CFCDMN Cc1ccc(CNCc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000897230802 619954918 /nfs/dbraw/zinc/95/49/18/619954918.db2.gz PIZNMDYLFRNHJP-UHFFFAOYSA-N 0 1 271.364 2.601 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccn(C)n1 ZINC000840722519 619989440 /nfs/dbraw/zinc/98/94/40/619989440.db2.gz IOVFSMFEKOOCDM-ZDUSSCGKSA-N 0 1 272.396 2.645 20 10 CFCDMN CCn1cnc2c1CCN(Cc1cccc(Cl)c1O)C2 ZINC000897333224 619998131 /nfs/dbraw/zinc/99/81/31/619998131.db2.gz DDIMHGREQKYTQI-UHFFFAOYSA-N 0 1 291.782 2.820 20 10 CFCDMN CCOc1cccc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000897391886 620092307 /nfs/dbraw/zinc/09/23/07/620092307.db2.gz DNNAIWUKADMHCT-UHFFFAOYSA-N 0 1 288.347 2.524 20 10 CFCDMN CCOc1ccc(O)c(CN(C)Cc2cccc(=O)[nH]2)c1 ZINC000897392135 620092532 /nfs/dbraw/zinc/09/25/32/620092532.db2.gz OCHGXCYQZLYQNE-UHFFFAOYSA-N 0 1 288.347 2.524 20 10 CFCDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n(C)n1 ZINC000841751611 620217327 /nfs/dbraw/zinc/21/73/27/620217327.db2.gz IFPINLAUIKDTNC-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752027 620218571 /nfs/dbraw/zinc/21/85/71/620218571.db2.gz QHWIGXWSXMCJCD-VIFPVBQESA-N 0 1 265.744 2.928 20 10 CFCDMN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841753775 620236219 /nfs/dbraw/zinc/23/62/19/620236219.db2.gz WBSPDOJHDYUFFR-NIVTXAMTSA-N 0 1 287.812 2.607 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841756848 620251720 /nfs/dbraw/zinc/25/17/20/620251720.db2.gz KTGFSIBLNUVZBO-YMTOWFKASA-N 0 1 269.772 2.857 20 10 CFCDMN COc1cccc(O)c1CN[C@H](C)c1cncs1 ZINC000897935344 620307367 /nfs/dbraw/zinc/30/73/67/620307367.db2.gz VBJRDVGTYMXOBK-SECBINFHSA-N 0 1 264.350 2.708 20 10 CFCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]1CO)oc1ccccc12 ZINC000902629290 621138647 /nfs/dbraw/zinc/13/86/47/621138647.db2.gz BOBHHCNNWLIFPE-LBPRGKRZSA-N 0 1 283.327 2.858 20 10 CFCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]1CO)oc1ccccc12 ZINC000902629290 621138652 /nfs/dbraw/zinc/13/86/52/621138652.db2.gz BOBHHCNNWLIFPE-LBPRGKRZSA-N 0 1 283.327 2.858 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300602 621315233 /nfs/dbraw/zinc/31/52/33/621315233.db2.gz IPRDQSBPDTXNJB-OPQQBVKSSA-N 0 1 268.788 2.789 20 10 CFCDMN CCN(C)c1ccc([C@H](C)NCc2cn(C)cn2)cc1 ZINC000903351461 621343650 /nfs/dbraw/zinc/34/36/50/621343650.db2.gz LLVYVAQKNRNRLE-ZDUSSCGKSA-N 0 1 272.396 2.727 20 10 CFCDMN CC(C)N1CCC[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000904505543 621603100 /nfs/dbraw/zinc/60/31/00/621603100.db2.gz YHORYWSWXJCOMA-AWEZNQCLSA-N 0 1 286.379 2.788 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCOc2ccccc2C1 ZINC000166374672 623010198 /nfs/dbraw/zinc/01/01/98/623010198.db2.gz POFAEGQBBMYAKN-UHFFFAOYSA-N 0 1 273.307 2.926 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822520979 623120711 /nfs/dbraw/zinc/12/07/11/623120711.db2.gz UTXRCTCYPMRWPH-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN CN1C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822520979 623120721 /nfs/dbraw/zinc/12/07/21/623120721.db2.gz UTXRCTCYPMRWPH-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN CN1C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822520979 623120728 /nfs/dbraw/zinc/12/07/28/623120728.db2.gz UTXRCTCYPMRWPH-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN C[C@@H](CO)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230158340 623258444 /nfs/dbraw/zinc/25/84/44/623258444.db2.gz FMVLPNLISKNBCE-SNVBAGLBSA-N 0 1 257.761 2.544 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230669592 623289760 /nfs/dbraw/zinc/28/97/60/623289760.db2.gz MZOXLHNOKOWFFR-GXFFZTMASA-N 0 1 269.772 2.686 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000063218325 623331364 /nfs/dbraw/zinc/33/13/64/623331364.db2.gz IPQLOTKSNXWVCN-HNNXBMFYSA-N 0 1 291.778 2.739 20 10 CFCDMN CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000231390106 623344200 /nfs/dbraw/zinc/34/42/00/623344200.db2.gz LHDPJRKOOIAKBX-NSHDSACASA-N 0 1 271.788 2.934 20 10 CFCDMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1O ZINC000824527593 623517584 /nfs/dbraw/zinc/51/75/84/623517584.db2.gz WUOOFOOYTUUZAC-CHWSQXEVSA-N 0 1 257.337 2.774 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](C)O)CC2)cc1Cl ZINC000824689186 623545690 /nfs/dbraw/zinc/54/56/90/623545690.db2.gz LPIQMLFJYDRVIM-NSHDSACASA-N 0 1 283.799 2.947 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824691163 623545700 /nfs/dbraw/zinc/54/57/00/623545700.db2.gz WBUFIMWOXLWBTF-UHFFFAOYSA-N 0 1 273.735 2.654 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C)CC[C@H](C)O)cc1Cl ZINC000824828435 623573608 /nfs/dbraw/zinc/57/36/08/623573608.db2.gz BHIHJWZMCXYGAS-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC[C@H](C)O)cc1Cl ZINC000824828435 623573613 /nfs/dbraw/zinc/57/36/13/623573613.db2.gz BHIHJWZMCXYGAS-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC[C@H](C)O)cc1Cl ZINC000824828435 623573619 /nfs/dbraw/zinc/57/36/19/623573619.db2.gz BHIHJWZMCXYGAS-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1cc(F)ccc1O ZINC000825006062 623604600 /nfs/dbraw/zinc/60/46/00/623604600.db2.gz XSGPHUKPQVMUFR-SNVBAGLBSA-N 0 1 263.316 2.599 20 10 CFCDMN C[C@@H]1C[C@H](NCc2cc(F)ccc2O)c2nccn21 ZINC000825016538 623606317 /nfs/dbraw/zinc/60/63/17/623606317.db2.gz DLXVDJZNKQUUFV-SKDRFNHKSA-N 0 1 261.300 2.523 20 10 CFCDMN CCOc1cccc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017441 623608142 /nfs/dbraw/zinc/60/81/42/623608142.db2.gz RMMIQBPYJQJRLG-AAEUAGOBSA-N 0 1 287.363 2.783 20 10 CFCDMN CCc1ncc(CNCc2ccc(N(C)C)cc2)o1 ZINC000825078746 623623249 /nfs/dbraw/zinc/62/32/49/623623249.db2.gz BYYGNGOACUWGJT-UHFFFAOYSA-N 0 1 259.353 2.593 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCN2C)cc1Cl ZINC000825159688 623641722 /nfs/dbraw/zinc/64/17/22/623641722.db2.gz GTAOHHHKCJGKKB-LBPRGKRZSA-N 0 1 268.788 2.538 20 10 CFCDMN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292606 623665966 /nfs/dbraw/zinc/66/59/66/623665966.db2.gz ZKGJVWHMBQJKPO-TVQRCGJNSA-N 0 1 289.828 2.556 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1Cl ZINC000825315803 623670141 /nfs/dbraw/zinc/67/01/41/623670141.db2.gz MSPGRBYUWMHMCF-WDEREUQCSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1Cl ZINC000825385044 623684075 /nfs/dbraw/zinc/68/40/75/623684075.db2.gz OSTQOZMCYQMNHS-LLVKDONJSA-N 0 1 297.704 2.757 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H](C)CO)cc1Cl ZINC000825396265 623685943 /nfs/dbraw/zinc/68/59/43/623685943.db2.gz QUSVEODJQKIHNY-JTQLQIEISA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1Cl ZINC000825450546 623696356 /nfs/dbraw/zinc/69/63/56/623696356.db2.gz ICSAHAZSQHROEX-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1Cl ZINC000825450546 623696362 /nfs/dbraw/zinc/69/63/62/623696362.db2.gz ICSAHAZSQHROEX-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1Cl ZINC000825450546 623696367 /nfs/dbraw/zinc/69/63/67/623696367.db2.gz ICSAHAZSQHROEX-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN CC(C)(C)c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1 ZINC000825517260 623707244 /nfs/dbraw/zinc/70/72/44/623707244.db2.gz RARURLBQJJWYTC-UHFFFAOYSA-N 0 1 293.298 2.510 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](CCO)C2CCC2)cc1Cl ZINC000825634078 623727597 /nfs/dbraw/zinc/72/75/97/623727597.db2.gz IBKATKNHLGIIPG-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](CCO)C2CCC2)cc1Cl ZINC000825634078 623727601 /nfs/dbraw/zinc/72/76/01/623727601.db2.gz IBKATKNHLGIIPG-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](CCO)C2CCC2)cc1Cl ZINC000825634078 623727607 /nfs/dbraw/zinc/72/76/07/623727607.db2.gz IBKATKNHLGIIPG-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2CC(O)C2)cc1Cl ZINC000825635147 623728333 /nfs/dbraw/zinc/72/83/33/623728333.db2.gz WIWMKZDIVIPSBS-UHFFFAOYSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CC(O)C2)cc1Cl ZINC000825635147 623728338 /nfs/dbraw/zinc/72/83/38/623728338.db2.gz WIWMKZDIVIPSBS-UHFFFAOYSA-N 0 1 269.772 2.557 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H]1C ZINC000825658598 623732414 /nfs/dbraw/zinc/73/24/14/623732414.db2.gz RPCKROVBVZCEMI-ZYHUDNBSSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H]1C ZINC000825658598 623732417 /nfs/dbraw/zinc/73/24/17/623732417.db2.gz RPCKROVBVZCEMI-ZYHUDNBSSA-N 0 1 297.782 2.737 20 10 CFCDMN COCC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000825726000 623747161 /nfs/dbraw/zinc/74/71/61/623747161.db2.gz CXRMPFJROIQOQT-CYBMUJFWSA-N 0 1 299.798 2.591 20 10 CFCDMN COCC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000825726000 623747164 /nfs/dbraw/zinc/74/71/64/623747164.db2.gz CXRMPFJROIQOQT-CYBMUJFWSA-N 0 1 299.798 2.591 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2(CF)CCOCC2)cc1Cl ZINC000826049679 623787891 /nfs/dbraw/zinc/78/78/91/623787891.db2.gz VWQCUDBWLIMLHC-UHFFFAOYSA-N 0 1 287.762 2.962 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433987 623850651 /nfs/dbraw/zinc/85/06/51/623850651.db2.gz ZDLCTMBQQZOFFP-OLZOCXBDSA-N 0 1 267.756 2.560 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000827602753 624042622 /nfs/dbraw/zinc/04/26/22/624042622.db2.gz UOZQHGDCYUOFQQ-AAEUAGOBSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000827602753 624042628 /nfs/dbraw/zinc/04/26/28/624042628.db2.gz UOZQHGDCYUOFQQ-AAEUAGOBSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cccc(CN2CCOc3ccc(O)cc3C2)c1O ZINC000827657957 624054751 /nfs/dbraw/zinc/05/47/51/624054751.db2.gz SWYZXOLTLHRAAW-UHFFFAOYSA-N 0 1 285.343 2.801 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCc2nccnc2C1 ZINC000827691737 624065693 /nfs/dbraw/zinc/06/56/93/624065693.db2.gz AMLAALUJEJUDFY-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN Cc1nc(CN(C)Cc2cc(Cl)c(F)cc2O)no1 ZINC000827891313 624122941 /nfs/dbraw/zinc/12/29/41/624122941.db2.gz HKVJMYQVKCNCNM-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1(CO)CCC1 ZINC000827904275 624125886 /nfs/dbraw/zinc/12/58/86/624125886.db2.gz YTDVJCQUKNRFQM-UHFFFAOYSA-N 0 1 273.735 2.532 20 10 CFCDMN CCc1[nH]nc(Cl)c1CNCc1ccc(N(C)C)cc1 ZINC000921495613 624902066 /nfs/dbraw/zinc/90/20/66/624902066.db2.gz FHKLCOOZTSMYKD-UHFFFAOYSA-N 0 1 292.814 2.981 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H](C)O ZINC000834889008 625910593 /nfs/dbraw/zinc/91/05/93/625910593.db2.gz SYKYGPXAKPJDFK-PTRXPTGYSA-N 0 1 257.761 2.856 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cc(Cl)ccc1[O-] ZINC000834901249 625915744 /nfs/dbraw/zinc/91/57/44/625915744.db2.gz RENHCZWWVOCSGU-JOYOIKCWSA-N 0 1 284.787 2.611 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834904995 625917668 /nfs/dbraw/zinc/91/76/68/625917668.db2.gz DPYPEVRJAAEXGV-YMTOWFKASA-N 0 1 269.772 2.857 20 10 CFCDMN COc1cccnc1CN[C@H](C)c1ccccc1O ZINC000834905323 625918042 /nfs/dbraw/zinc/91/80/42/625918042.db2.gz FYJVWNIDQQAJRO-LLVKDONJSA-N 0 1 258.321 2.647 20 10 CFCDMN Cc1nccnc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922328870 626271175 /nfs/dbraw/zinc/27/11/75/626271175.db2.gz VDWYSNPETPWOMY-CYBMUJFWSA-N 0 1 283.375 2.961 20 10 CFCDMN Cc1ccc(NCC[NH2+]Cc2cc(Cl)ccc2[O-])nc1 ZINC000922926151 626425719 /nfs/dbraw/zinc/42/57/19/626425719.db2.gz PALLXLPAJVABPY-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN Cc1ccc(NCC[NH2+]Cc2c([O-])cccc2Cl)nc1 ZINC000922925689 626425977 /nfs/dbraw/zinc/42/59/77/626425977.db2.gz NFZADNPVPQNJKX-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253806 626459490 /nfs/dbraw/zinc/45/94/90/626459490.db2.gz KXRWFNBTDXLNTJ-WFASDCNBSA-N 0 1 290.407 2.604 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CC(OC(F)F)C1 ZINC000839143032 626528637 /nfs/dbraw/zinc/52/86/37/626528637.db2.gz DEZVRKXCQMDNCM-UHFFFAOYSA-N 0 1 281.661 2.608 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CC(OC(F)F)C1 ZINC000839143589 626528792 /nfs/dbraw/zinc/52/87/92/626528792.db2.gz IVLVYYJAZMTEHG-UHFFFAOYSA-N 0 1 281.661 2.608 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187672 626530177 /nfs/dbraw/zinc/53/01/77/626530177.db2.gz LSWPMOVCDBZPEV-SKDRFNHKSA-N 0 1 285.746 2.796 20 10 CFCDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1F ZINC000839191636 626530683 /nfs/dbraw/zinc/53/06/83/626530683.db2.gz IUQFCOPIKAVRMQ-RYUDHWBXSA-N 0 1 266.385 2.581 20 10 CFCDMN Cc1cc(O)c(CN[C@H](C)c2ccn(C)n2)cc1C ZINC000839191431 626530740 /nfs/dbraw/zinc/53/07/40/626530740.db2.gz PAMBEPXQIASGIZ-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051235 626547841 /nfs/dbraw/zinc/54/78/41/626547841.db2.gz CGOBNSOFWQVTQD-TVQRCGJNSA-N 0 1 286.778 2.744 20 10 CFCDMN CCC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000758394708 626591978 /nfs/dbraw/zinc/59/19/78/626591978.db2.gz VJSMFNPLRVUMPC-AWEZNQCLSA-N 0 1 286.375 2.941 20 10 CFCDMN CCC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000758394708 626591979 /nfs/dbraw/zinc/59/19/79/626591979.db2.gz VJSMFNPLRVUMPC-AWEZNQCLSA-N 0 1 286.375 2.941 20 10 CFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000760883129 626781264 /nfs/dbraw/zinc/78/12/64/626781264.db2.gz AFUMATKIUYWZQU-PSOPSSQASA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768441392 627342413 /nfs/dbraw/zinc/34/24/13/627342413.db2.gz KWYWFOKHMMCGDM-AXAPSJFSSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768441392 627342418 /nfs/dbraw/zinc/34/24/18/627342418.db2.gz KWYWFOKHMMCGDM-AXAPSJFSSA-N 0 1 291.391 2.829 20 10 CFCDMN CC1CCC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768439101 627343069 /nfs/dbraw/zinc/34/30/69/627343069.db2.gz HNRWZBXNUFICHC-TZDAIYRESA-N 0 1 291.391 2.829 20 10 CFCDMN CC1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768439101 627343072 /nfs/dbraw/zinc/34/30/72/627343072.db2.gz HNRWZBXNUFICHC-TZDAIYRESA-N 0 1 291.391 2.829 20 10 CFCDMN CN(Cc1nn(C)c2ccccc12)Cc1ccccc1O ZINC000768873609 627382085 /nfs/dbraw/zinc/38/20/85/627382085.db2.gz RFGFNLWNNZYRRS-UHFFFAOYSA-N 0 1 281.359 2.911 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC000769450969 627440922 /nfs/dbraw/zinc/44/09/22/627440922.db2.gz FDEQASHLDYMGSF-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@@H]1COCCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000772823278 627749380 /nfs/dbraw/zinc/74/93/80/627749380.db2.gz KMXZIEVFAUPXJI-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@@H]1COCCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000772823278 627749385 /nfs/dbraw/zinc/74/93/85/627749385.db2.gz KMXZIEVFAUPXJI-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN CC[C@@H]1COCCN1Cc1ccc(N(C)CC)cc1 ZINC000773750652 627854119 /nfs/dbraw/zinc/85/41/19/627854119.db2.gz DRMFYNIXTLJPCT-OAHLLOKOSA-N 0 1 262.397 2.754 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000773764751 627856675 /nfs/dbraw/zinc/85/66/75/627856675.db2.gz DMGPVCWMNJFABX-UONOGXRCSA-N 0 1 262.397 2.752 20 10 CFCDMN COCC1=CC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000774649772 627945320 /nfs/dbraw/zinc/94/53/20/627945320.db2.gz XCIVZEQYSKLGON-UHFFFAOYSA-N 0 1 284.359 2.719 20 10 CFCDMN COCC1=CC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000774649772 627945323 /nfs/dbraw/zinc/94/53/23/627945323.db2.gz XCIVZEQYSKLGON-UHFFFAOYSA-N 0 1 284.359 2.719 20 10 CFCDMN COc1c([O-])c(C[NH2+]Cc2cccs2)ccc1[N+](=O)[O-] ZINC000774943184 627981120 /nfs/dbraw/zinc/98/11/20/627981120.db2.gz WFIDGKBHABGILM-UHFFFAOYSA-N 0 1 294.332 2.660 20 10 CFCDMN CC[C@H](N[C@@H](C)c1nncn1C)c1cc(Cl)ccc1O ZINC000775498324 628032156 /nfs/dbraw/zinc/03/21/56/628032156.db2.gz JAUNTBRPFLHDNM-CABZTGNLSA-N 0 1 294.786 2.976 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)ccc1[O-] ZINC000775498247 628032182 /nfs/dbraw/zinc/03/21/82/628032182.db2.gz ZIDJWZRKRPVELN-GXFFZTMASA-N 0 1 294.786 2.767 20 10 CFCDMN CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775662679 628051519 /nfs/dbraw/zinc/05/15/19/628051519.db2.gz ZBZYXEBTAIOZFM-UHFFFAOYSA-N 0 1 297.761 2.940 20 10 CFCDMN C[N@@H+](CCn1cccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775696290 628055403 /nfs/dbraw/zinc/05/54/03/628055403.db2.gz ZYSNPQSRZBKXKQ-UHFFFAOYSA-N 0 1 283.734 2.513 20 10 CFCDMN CN(Cc1cc[nH]n1)Cc1cc(Cl)cc(F)c1O ZINC000775691826 628055594 /nfs/dbraw/zinc/05/55/94/628055594.db2.gz SOYKCMRXAPGUMU-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775701204 628056634 /nfs/dbraw/zinc/05/66/34/628056634.db2.gz DTRUYGKATKNBIE-SKDRFNHKSA-N 0 1 287.762 2.920 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCOC1 ZINC000775734545 628059989 /nfs/dbraw/zinc/05/99/89/628059989.db2.gz RKAKTBGXVJZLLI-SECBINFHSA-N 0 1 273.735 2.653 20 10 CFCDMN C[C@@H](NCc1cn2cccnc2n1)c1ccc(N(C)C)cc1 ZINC000775830064 628073306 /nfs/dbraw/zinc/07/33/06/628073306.db2.gz CHGPACBHFBDILD-CYBMUJFWSA-N 0 1 295.390 2.646 20 10 CFCDMN COCC1=CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775995929 628092009 /nfs/dbraw/zinc/09/20/09/628092009.db2.gz PVQOQOACTRMRBU-UHFFFAOYSA-N 0 1 285.746 2.963 20 10 CFCDMN CCOc1ccc(CN2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000779149505 628356339 /nfs/dbraw/zinc/35/63/39/628356339.db2.gz DYQWSFYHPSECAV-INIZCTEOSA-N 0 1 279.380 2.648 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779208260 628360234 /nfs/dbraw/zinc/36/02/34/628360234.db2.gz GGEQUPVDKVTIAR-UHFFFAOYSA-N 0 1 291.725 2.638 20 10 CFCDMN Oc1ccc(Cl)cc1CN1CCC(O)(C(F)F)CC1 ZINC000779208260 628360237 /nfs/dbraw/zinc/36/02/37/628360237.db2.gz GGEQUPVDKVTIAR-UHFFFAOYSA-N 0 1 291.725 2.638 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000779202992 628360298 /nfs/dbraw/zinc/36/02/98/628360298.db2.gz UNWRPSOVMDDGGV-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN Oc1cc2c(cc1CN1CCc3ncsc3C1)CCC2 ZINC000783544266 628719253 /nfs/dbraw/zinc/71/92/53/628719253.db2.gz WWVCZHWEZOCVDQ-UHFFFAOYSA-N 0 1 286.400 2.896 20 10 CFCDMN Cc1cccc(CN2CCc3ncsc3C2)c1O ZINC000783745554 628740905 /nfs/dbraw/zinc/74/09/05/628740905.db2.gz NXQYJRDBSBGUBF-UHFFFAOYSA-N 0 1 260.362 2.715 20 10 CFCDMN CC[C@]1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000785511878 628890709 /nfs/dbraw/zinc/89/07/09/628890709.db2.gz LIAIYZYSSOBGQL-QGZVFWFLSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[C@]1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000785511878 628890710 /nfs/dbraw/zinc/89/07/10/628890710.db2.gz LIAIYZYSSOBGQL-QGZVFWFLSA-N 0 1 286.375 2.941 20 10 CFCDMN CCOc1ccc(CN2CCO[C@](C)(CC)C2)c(O)c1 ZINC000785984650 628928216 /nfs/dbraw/zinc/92/82/16/628928216.db2.gz QUHKBECLDXHOBN-MRXNPFEDSA-N 0 1 279.380 2.792 20 10 CFCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000788269057 629052990 /nfs/dbraw/zinc/05/29/90/629052990.db2.gz KYEHQXDYOCOJTD-XCBNKYQSSA-N 0 1 276.163 2.654 20 10 CFCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000788983268 629114023 /nfs/dbraw/zinc/11/40/23/629114023.db2.gz CSGTVZFFXAPQHT-DCQANWLSSA-N 0 1 279.355 2.830 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2ccc(C)cn2)c1 ZINC000789595896 629170589 /nfs/dbraw/zinc/17/05/89/629170589.db2.gz YVOPVEYZPRSIAC-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN O=C(Nc1nc(C2CC2)cs1)c1c(F)ccc(O)c1O ZINC000789965716 629200173 /nfs/dbraw/zinc/20/01/73/629200173.db2.gz CBSYFCBTQACZBV-UHFFFAOYSA-N 0 1 294.307 2.823 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000790740421 629259220 /nfs/dbraw/zinc/25/92/20/629259220.db2.gz CFQZCCRMOSIQSR-JOYOIKCWSA-N 0 1 284.787 2.563 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790949834 629273737 /nfs/dbraw/zinc/27/37/37/629273737.db2.gz PMSWXSSICMODCV-CHWSQXEVSA-N 0 1 298.789 2.901 20 10 CFCDMN Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)c(O)c1O ZINC000791056544 629284247 /nfs/dbraw/zinc/28/42/47/629284247.db2.gz FZUDAJYNTOYUGU-UHFFFAOYSA-N 0 1 297.314 2.843 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccnc1F ZINC000793283942 629520423 /nfs/dbraw/zinc/52/04/23/629520423.db2.gz CLBDHKBJUSHYOE-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN Oc1ccc(Cl)cc1CNCc1cccnc1F ZINC000793283942 629520427 /nfs/dbraw/zinc/52/04/27/629520427.db2.gz CLBDHKBJUSHYOE-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN Cc1noc(C(C)(C)NCc2cc(Cl)cc(F)c2O)n1 ZINC000793610127 629578440 /nfs/dbraw/zinc/57/84/40/629578440.db2.gz OMNRAJXDHUPFIB-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN CCOc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)cc1 ZINC000794375315 629641397 /nfs/dbraw/zinc/64/13/97/629641397.db2.gz RHZLAPZIYIBXSV-UHFFFAOYSA-N 0 1 274.368 2.963 20 10 CFCDMN CC[C@H](NCc1ncnn1CC)c1ccc(C)cc1O ZINC000794840603 629693375 /nfs/dbraw/zinc/69/33/75/629693375.db2.gz JNEMYESKYPCCQK-ZDUSSCGKSA-N 0 1 274.368 2.553 20 10 CFCDMN Cc1noc([C@H]2CCCN2Cc2cc3c(cc2O)CCC3)n1 ZINC000795753078 629829568 /nfs/dbraw/zinc/82/95/68/629829568.db2.gz PIRYFFHAWCWAPH-OAHLLOKOSA-N 0 1 299.374 2.909 20 10 CFCDMN O=S(=O)(CCC1CC1)Nc1cc(Cl)c(O)cc1F ZINC000808115215 630953019 /nfs/dbraw/zinc/95/30/19/630953019.db2.gz SRUNIURIBJHSJK-UHFFFAOYSA-N 0 1 293.747 2.727 20 10 CFCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000808451432 630993929 /nfs/dbraw/zinc/99/39/29/630993929.db2.gz ONJFSSQXSAJJSE-UHFFFAOYSA-N 0 1 286.278 2.968 20 10 CFCDMN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1csnn1 ZINC000840885404 631250930 /nfs/dbraw/zinc/25/09/30/631250930.db2.gz DCHJNCYGMHQQHP-HTQZYQBOSA-N 0 1 294.336 2.564 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C)C2)c(Cl)c1 ZINC000840884474 631250972 /nfs/dbraw/zinc/25/09/72/631250972.db2.gz NKILACSIRULYAY-LLVKDONJSA-N 0 1 268.788 2.538 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC[C@@H]2C)c(Cl)c1 ZINC000840900642 631256354 /nfs/dbraw/zinc/25/63/54/631256354.db2.gz CJEDCEKLEBOGAK-LBPRGKRZSA-N 0 1 282.815 2.928 20 10 CFCDMN CCNC(=O)C(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840906124 631257581 /nfs/dbraw/zinc/25/75/81/631257581.db2.gz DOXANHMJTPOVBS-UHFFFAOYSA-N 0 1 298.814 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(Cl)c1 ZINC000840907914 631258865 /nfs/dbraw/zinc/25/88/65/631258865.db2.gz UOEDPZGJHQVAIG-XHDPSFHLSA-N 0 1 294.826 2.926 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840936818 631268650 /nfs/dbraw/zinc/26/86/50/631268650.db2.gz MSJXNNOYTDOQKQ-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840936818 631268655 /nfs/dbraw/zinc/26/86/55/631268655.db2.gz MSJXNNOYTDOQKQ-RYUDHWBXSA-N 0 1 283.799 2.947 20 10 CFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)[C@H]1OC ZINC000840938700 631269850 /nfs/dbraw/zinc/26/98/50/631269850.db2.gz FKGIODMLLOZCMZ-NWANDNLSSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(Cl)c1 ZINC000840938691 631271137 /nfs/dbraw/zinc/27/11/37/631271137.db2.gz QJKSUWRMVAMQGD-OLZOCXBDSA-N 0 1 269.772 2.603 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)[C@H]1C ZINC000840942224 631273953 /nfs/dbraw/zinc/27/39/53/631273953.db2.gz VUUQMKWJOWIPEG-WDEREUQCSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)[C@H]1C ZINC000840942224 631273957 /nfs/dbraw/zinc/27/39/57/631273957.db2.gz VUUQMKWJOWIPEG-WDEREUQCSA-N 0 1 297.782 2.737 20 10 CFCDMN COc1cccc(CNCc2csc([N+](=O)[O-])c2)c1O ZINC000809740417 631275498 /nfs/dbraw/zinc/27/54/98/631275498.db2.gz YGVOGOYATGHDHW-UHFFFAOYSA-N 0 1 294.332 2.660 20 10 CFCDMN Cc1cc(O)c(CN2CC3(C2)CCOC3)c(Cl)c1 ZINC000840949413 631277434 /nfs/dbraw/zinc/27/74/34/631277434.db2.gz VQDWBGGXOWQCLV-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC3(C2)CCOC3)c(Cl)c1 ZINC000840949413 631277446 /nfs/dbraw/zinc/27/74/46/631277446.db2.gz VQDWBGGXOWQCLV-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN COCC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000840955716 631283538 /nfs/dbraw/zinc/28/35/38/631283538.db2.gz VRJPNJAQJOHBFF-JTQLQIEISA-N 0 1 257.761 2.808 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCOCC(F)(F)C1 ZINC000809788339 631289834 /nfs/dbraw/zinc/28/98/34/631289834.db2.gz RDHJYXMWGOAKOI-UHFFFAOYSA-N 0 1 295.688 2.652 20 10 CFCDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)c1csnn1 ZINC000840971005 631290155 /nfs/dbraw/zinc/29/01/55/631290155.db2.gz ZEDZGODULJVQEN-ZCFIWIBFSA-N 0 1 287.747 2.887 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1[O-] ZINC000840979489 631292660 /nfs/dbraw/zinc/29/26/60/631292660.db2.gz SHUHYWUOUALPOJ-BXUZGUMPSA-N 0 1 283.799 2.995 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000840995475 631295998 /nfs/dbraw/zinc/29/59/98/631295998.db2.gz PDYSIVBCWUCORD-CYBMUJFWSA-N 0 1 294.370 2.578 20 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NLSIVLHQLOYGAW-RKDXNWHRSA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745611 631463647 /nfs/dbraw/zinc/46/36/47/631463647.db2.gz REHJMVSUTVIBGF-QWRGUYRKSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(Cl)cc1[O-] ZINC000841750959 631465735 /nfs/dbraw/zinc/46/57/35/631465735.db2.gz CZXBTYXVNSZNJA-SNVBAGLBSA-N 0 1 285.771 2.849 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841753056 631466664 /nfs/dbraw/zinc/46/66/64/631466664.db2.gz XMWSXUCOLFVYIV-SKDRFNHKSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841757206 631468307 /nfs/dbraw/zinc/46/83/07/631468307.db2.gz BWBCRJWCFSOGJN-XPTSAGLGSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841763242 631469072 /nfs/dbraw/zinc/46/90/72/631469072.db2.gz LONHYICMZAOAEP-DGCLKSJQSA-N 0 1 299.798 2.892 20 10 CFCDMN Cc1cc(O)c(CN2CC(O)(c3ccccc3)C2)cc1C ZINC000811509315 631574680 /nfs/dbraw/zinc/57/46/80/631574680.db2.gz VKRWIXKFEQKOOA-UHFFFAOYSA-N 0 1 283.371 2.712 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H](C)OC ZINC000812301231 631686995 /nfs/dbraw/zinc/68/69/95/631686995.db2.gz DKOLXAMNAYKKOQ-GFCCVEGCSA-N 0 1 274.364 2.797 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H](C)OC ZINC000812301231 631686998 /nfs/dbraw/zinc/68/69/98/631686998.db2.gz DKOLXAMNAYKKOQ-GFCCVEGCSA-N 0 1 274.364 2.797 20 10 CFCDMN COc1cc(C)cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1O ZINC000842641677 631690192 /nfs/dbraw/zinc/69/01/92/631690192.db2.gz DPLREWFVKUEFKV-ZDUSSCGKSA-N 0 1 291.391 2.853 20 10 CFCDMN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000842721900 631717034 /nfs/dbraw/zinc/71/70/34/631717034.db2.gz XSLJXQBANLQLMB-LBPRGKRZSA-N 0 1 296.798 2.535 20 10 CFCDMN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842755493 631729635 /nfs/dbraw/zinc/72/96/35/631729635.db2.gz ZTWDABFDHULCQO-GXFFZTMASA-N 0 1 271.788 2.932 20 10 CFCDMN Cn1cc(CNCc2ccc3c(c2)CCO3)c(C(F)F)n1 ZINC000812748885 631766218 /nfs/dbraw/zinc/76/62/18/631766218.db2.gz VRFDNWNXVMVZOS-UHFFFAOYSA-N 0 1 293.317 2.582 20 10 CFCDMN [O-]c1c(Cl)cccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843127669 631846491 /nfs/dbraw/zinc/84/64/91/631846491.db2.gz FLAHHYLNPSXDHA-CYBMUJFWSA-N 0 1 280.799 2.810 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000843420948 631951440 /nfs/dbraw/zinc/95/14/40/631951440.db2.gz NNWPGNOCBZRHDG-ABAIWWIYSA-N 0 1 281.783 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000843420948 631951441 /nfs/dbraw/zinc/95/14/41/631951441.db2.gz NNWPGNOCBZRHDG-ABAIWWIYSA-N 0 1 281.783 2.965 20 10 CFCDMN CCOc1ccc(CN2CCOC[C@H]2C2CCC2)c(O)c1 ZINC000843428719 631955752 /nfs/dbraw/zinc/95/57/52/631955752.db2.gz MDHDEMLUXVZOIA-INIZCTEOSA-N 0 1 291.391 2.792 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000843433418 631958255 /nfs/dbraw/zinc/95/82/55/631958255.db2.gz ZTAQSIUQVNYIJD-FZMZJTMJSA-N 0 1 257.333 2.812 20 10 CFCDMN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000814299835 632050658 /nfs/dbraw/zinc/05/06/58/632050658.db2.gz CJGQDNBPOPPJCV-LLVKDONJSA-N 0 1 298.814 2.688 20 10 CFCDMN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000844390330 632192382 /nfs/dbraw/zinc/19/23/82/632192382.db2.gz GOUCAYWXJISVRZ-XJKSGUPXSA-N 0 1 262.397 2.752 20 10 CFCDMN Cc1cc(CN2CCO[C@@H](C(C)C)C2)ccc1N(C)C ZINC000815087736 632198081 /nfs/dbraw/zinc/19/80/81/632198081.db2.gz NFNFMGSUCJTHOL-QGZVFWFLSA-N 0 1 276.424 2.918 20 10 CFCDMN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000844734249 632291334 /nfs/dbraw/zinc/29/13/34/632291334.db2.gz WDXUKVQVVFEURC-TZMCWYRMSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000844734249 632291337 /nfs/dbraw/zinc/29/13/37/632291337.db2.gz WDXUKVQVVFEURC-TZMCWYRMSA-N 0 1 286.375 2.940 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@H]1c1ncon1 ZINC000816499179 632470954 /nfs/dbraw/zinc/47/09/54/632470954.db2.gz IBIZXMPDXWNVIM-NSHDSACASA-N 0 1 297.717 2.905 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000816503638 632473955 /nfs/dbraw/zinc/47/39/55/632473955.db2.gz GONNNTKZCHCSCF-AWEZNQCLSA-N 0 1 257.333 2.766 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000816503638 632473958 /nfs/dbraw/zinc/47/39/58/632473958.db2.gz GONNNTKZCHCSCF-AWEZNQCLSA-N 0 1 257.333 2.766 20 10 CFCDMN C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514264 632475903 /nfs/dbraw/zinc/47/59/03/632475903.db2.gz RKTRNFICLHRGHX-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H](Cn1cccn1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534566 632479422 /nfs/dbraw/zinc/47/94/22/632479422.db2.gz NRFWXAOHVCTXKA-ZDUSSCGKSA-N 0 1 281.359 2.920 20 10 CFCDMN [O-]c1c(C[NH2+]C2CCOCC2)ccc2ccccc21 ZINC000816536426 632479592 /nfs/dbraw/zinc/47/95/92/632479592.db2.gz XDLFXAQXTGTQGB-UHFFFAOYSA-N 0 1 257.333 2.814 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCCOC2)ccc2ccccc21 ZINC000816546519 632481554 /nfs/dbraw/zinc/48/15/54/632481554.db2.gz MODLCUCVNKBLQE-CQSZACIVSA-N 0 1 257.333 2.814 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@]2(O)CCSC2)ccc2ccccc21 ZINC000816555967 632483398 /nfs/dbraw/zinc/48/33/98/632483398.db2.gz VLKXOWRCYXJLQC-MRXNPFEDSA-N 0 1 289.400 2.503 20 10 CFCDMN CC[C@@H](O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557723 632484504 /nfs/dbraw/zinc/48/45/04/632484504.db2.gz YXTGVGSMPRNTFY-CQSZACIVSA-N 0 1 259.349 2.796 20 10 CFCDMN CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816574473 632488281 /nfs/dbraw/zinc/48/82/81/632488281.db2.gz IZYYIHSDFIIXOD-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816589241 632490640 /nfs/dbraw/zinc/49/06/40/632490640.db2.gz PLQKTLYPSUEKDQ-SWLSCSKDSA-N 0 1 299.370 2.929 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816589241 632490643 /nfs/dbraw/zinc/49/06/43/632490643.db2.gz PLQKTLYPSUEKDQ-SWLSCSKDSA-N 0 1 299.370 2.929 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000816647838 632503941 /nfs/dbraw/zinc/50/39/41/632503941.db2.gz YWTAKYPSBODSIM-BDAKNGLRSA-N 0 1 255.745 2.894 20 10 CFCDMN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846016711 632615296 /nfs/dbraw/zinc/61/52/96/632615296.db2.gz IUWDZKHNGORFGE-ZWNOBZJWSA-N 0 1 271.788 2.932 20 10 CFCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412108 632624226 /nfs/dbraw/zinc/62/42/26/632624226.db2.gz CZCPZPAHNAZUOX-NXEZZACHSA-N 0 1 287.762 2.635 20 10 CFCDMN CCc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846056311 632625073 /nfs/dbraw/zinc/62/50/73/632625073.db2.gz TVBQQQNEJUWMDR-UHFFFAOYSA-N 0 1 277.755 2.688 20 10 CFCDMN CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[N@H+]1C ZINC000817417128 632627662 /nfs/dbraw/zinc/62/76/62/632627662.db2.gz DQTVFPJPCILFIK-NSHDSACASA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@@H](CCO)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000846111050 632634909 /nfs/dbraw/zinc/63/49/09/632634909.db2.gz MHHVVLBOEKEURO-LBPRGKRZSA-N 0 1 259.349 2.748 20 10 CFCDMN C[C@@H](CCO)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000846111050 632634912 /nfs/dbraw/zinc/63/49/12/632634912.db2.gz MHHVVLBOEKEURO-LBPRGKRZSA-N 0 1 259.349 2.748 20 10 CFCDMN COc1cccc([C@@H](C)NCc2ncccc2F)c1O ZINC000846158289 632649769 /nfs/dbraw/zinc/64/97/69/632649769.db2.gz WISDCPHCPUNUEU-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000846215097 632663452 /nfs/dbraw/zinc/66/34/52/632663452.db2.gz XLCLGQIPSIFKEP-ABAIWWIYSA-N 0 1 299.798 2.628 20 10 CFCDMN C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc2ccccc2c1[O-] ZINC000817585792 632671630 /nfs/dbraw/zinc/67/16/30/632671630.db2.gz IDRLJPVOGQRDKW-GFCCVEGCSA-N 0 1 298.386 2.852 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000846274941 632681140 /nfs/dbraw/zinc/68/11/40/632681140.db2.gz OOKSPCCJHCZEPW-OAHLLOKOSA-N 0 1 276.380 2.582 20 10 CFCDMN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817944961 632747220 /nfs/dbraw/zinc/74/72/20/632747220.db2.gz QFSFTPURNLAFCO-HTQZYQBOSA-N 0 1 275.179 2.712 20 10 CFCDMN CC[C@H]([NH2+]CC(C)(C)N)c1cccc(Cl)c1[O-] ZINC000817960548 632759203 /nfs/dbraw/zinc/75/92/03/632759203.db2.gz NLSICOZDNKFUHR-NSHDSACASA-N 0 1 256.777 2.824 20 10 CFCDMN CCCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846894063 632835806 /nfs/dbraw/zinc/83/58/06/632835806.db2.gz PGLCVOFFMWERGQ-CQSZACIVSA-N 0 1 290.407 2.521 20 10 CFCDMN CCCC[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846894063 632835811 /nfs/dbraw/zinc/83/58/11/632835811.db2.gz PGLCVOFFMWERGQ-CQSZACIVSA-N 0 1 290.407 2.521 20 10 CFCDMN C[C@H](O)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000848928642 633412254 /nfs/dbraw/zinc/41/22/54/633412254.db2.gz JLKMVUZPXGMJSB-QMMMGPOBSA-N 0 1 273.735 2.530 20 10 CFCDMN CC[C@H](COC)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000850152203 633857348 /nfs/dbraw/zinc/85/73/48/633857348.db2.gz LEPGHDONTMKIPM-SNVBAGLBSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000850388252 633972363 /nfs/dbraw/zinc/97/23/63/633972363.db2.gz KGQXVUIQNKDTCP-KBPBESRZSA-N 0 1 281.783 2.747 20 10 CFCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850571617 634057319 /nfs/dbraw/zinc/05/73/19/634057319.db2.gz SGXIAPAIXBQGGU-CKLFPEKLSA-N 0 1 255.745 2.874 20 10 CFCDMN Cc1ccc(O)c(CNCc2cc3n(n2)CCCC3)c1 ZINC000858239058 636160650 /nfs/dbraw/zinc/16/06/50/636160650.db2.gz GQWKZLZYYXWMDU-UHFFFAOYSA-N 0 1 271.364 2.523 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858584551 636300729 /nfs/dbraw/zinc/30/07/29/636300729.db2.gz SNJWRZRDEIFZPW-LSJOCFKGSA-N 0 1 255.745 2.874 20 10 CFCDMN C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000858597081 636304331 /nfs/dbraw/zinc/30/43/31/636304331.db2.gz KWZCEKIBKTYCCJ-VIFPVBQESA-N 0 1 292.757 2.893 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000862387458 637349198 /nfs/dbraw/zinc/34/91/98/637349198.db2.gz MESWISDLZFSJDD-SECBINFHSA-N 0 1 275.751 2.778 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000862387357 637349617 /nfs/dbraw/zinc/34/96/17/637349617.db2.gz KMBNWMVKYCACJG-SECBINFHSA-N 0 1 275.751 2.778 20 10 CFCDMN [O-]c1c(Br)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440800 637380494 /nfs/dbraw/zinc/38/04/94/637380494.db2.gz LSGOSFDKCNKJIJ-AOOOYVTPSA-N 0 1 268.154 2.606 20 10 CFCDMN Oc1c(Br)cccc1CN1CC2(C1)CCCO2 ZINC000862484122 637399428 /nfs/dbraw/zinc/39/94/28/637399428.db2.gz CXZRRPBRMHGVDF-UHFFFAOYSA-N 0 1 298.180 2.520 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](CCF)C1 ZINC000862529376 637407314 /nfs/dbraw/zinc/40/73/14/637407314.db2.gz COSRFZKECHWIIZ-SECBINFHSA-N 0 1 291.725 2.745 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863305813 637622509 /nfs/dbraw/zinc/62/25/09/637622509.db2.gz SZUMHVZSXPBRJW-DOTOQJQBSA-N 0 1 284.359 2.694 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000863305813 637622514 /nfs/dbraw/zinc/62/25/14/637622514.db2.gz SZUMHVZSXPBRJW-DOTOQJQBSA-N 0 1 284.359 2.694 20 10 CFCDMN CC[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(Cl)c1[O-] ZINC000863541538 637689612 /nfs/dbraw/zinc/68/96/12/637689612.db2.gz OBOSLECOVFVMMH-ZDUSSCGKSA-N 0 1 298.814 2.594 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739011 637766436 /nfs/dbraw/zinc/76/64/36/637766436.db2.gz GSMUEMFZXFSKQA-ZWNOBZJWSA-N 0 1 297.782 2.897 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865693276 638516618 /nfs/dbraw/zinc/51/66/18/638516618.db2.gz OUTBYDTYBGQQSS-UIQMYNOKSA-N 0 1 279.767 2.559 20 10 CFCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccnn1C ZINC000865839710 638605150 /nfs/dbraw/zinc/60/51/50/638605150.db2.gz QVWULSWUZORFDD-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN CC1(C)CN(Cc2cc(F)ccc2O)CC(C)(C)O1 ZINC000191193920 650482806 /nfs/dbraw/zinc/48/28/06/650482806.db2.gz BIXNCCVZOYCDHR-UHFFFAOYSA-N 0 1 267.344 2.921 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000872161519 641681948 /nfs/dbraw/zinc/68/19/48/641681948.db2.gz UYZLTMKJBOZJMV-CXAGYDPISA-N 0 1 290.407 2.604 20 10 CFCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000124319365 641961024 /nfs/dbraw/zinc/96/10/24/641961024.db2.gz DLYMGMYYOAUIFE-MRVPVSSYSA-N 0 1 270.716 2.938 20 10 CFCDMN CC[N@H+]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000124596859 642271437 /nfs/dbraw/zinc/27/14/37/642271437.db2.gz NFVMOYCHGLWKFS-NSHDSACASA-N 0 1 268.788 2.572 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCOCC1CC1 ZINC000020190789 642317741 /nfs/dbraw/zinc/31/77/41/642317741.db2.gz KIQHCQWFHHOACJ-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN C[N@@H+](Cc1ccc[nH]1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876790457 643010508 /nfs/dbraw/zinc/01/05/08/643010508.db2.gz IGAOMKIBAHSITP-UHFFFAOYSA-N 0 1 299.418 2.608 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc(F)c1F ZINC000876804899 643015954 /nfs/dbraw/zinc/01/59/54/643015954.db2.gz VTLDWOBYARUIMQ-DGCLKSJQSA-N 0 1 283.318 2.671 20 10 CFCDMN CN(C)c1ccc(CNCc2cccc(F)c2N)cc1F ZINC000876988475 643095336 /nfs/dbraw/zinc/09/53/36/643095336.db2.gz HQFUGYZTDRXJPU-UHFFFAOYSA-N 0 1 291.345 2.903 20 10 CFCDMN CCCCCCN(C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877077403 643139623 /nfs/dbraw/zinc/13/96/23/643139623.db2.gz GTPRXZPCAYCKHK-UHFFFAOYSA-N 0 1 277.412 2.744 20 10 CFCDMN COC[C@H](NCc1ccc(C)cc1O)c1ccco1 ZINC000877080924 643140560 /nfs/dbraw/zinc/14/05/60/643140560.db2.gz RKMLMZUPELCFLM-ZDUSSCGKSA-N 0 1 261.321 2.771 20 10 CFCDMN Oc1c(CNc2ccnn2CC2CC2)ccc(F)c1F ZINC000877104958 643153753 /nfs/dbraw/zinc/15/37/53/643153753.db2.gz GQVSWVJXDYTTQE-UHFFFAOYSA-N 0 1 279.290 2.889 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000877167106 643185364 /nfs/dbraw/zinc/18/53/64/643185364.db2.gz NCVBFAMRPFNEPS-GXFFZTMASA-N 0 1 285.334 2.653 20 10 CFCDMN COC(=O)[C@@H](C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877471779 643290656 /nfs/dbraw/zinc/29/06/56/643290656.db2.gz AKBWVVGWGVZZOP-SECBINFHSA-N 0 1 299.317 2.586 20 10 CFCDMN COC(=O)[C@@H](C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877471779 643290658 /nfs/dbraw/zinc/29/06/58/643290658.db2.gz AKBWVVGWGVZZOP-SECBINFHSA-N 0 1 299.317 2.586 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877577107 643374558 /nfs/dbraw/zinc/37/45/58/643374558.db2.gz UKGZWWKIECXJGL-LLVKDONJSA-N 0 1 285.334 2.919 20 10 CFCDMN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CC2(CCC2)O1 ZINC000877607737 643394953 /nfs/dbraw/zinc/39/49/53/643394953.db2.gz KJGNEZPBXSTNGY-JTQLQIEISA-N 0 1 283.318 2.814 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC2(CCC2)O1 ZINC000877607737 643394956 /nfs/dbraw/zinc/39/49/56/643394956.db2.gz KJGNEZPBXSTNGY-JTQLQIEISA-N 0 1 283.318 2.814 20 10 CFCDMN Cc1ccc(CN[C@H](CO)c2ccc(F)cc2F)c(O)c1 ZINC000877640621 643425187 /nfs/dbraw/zinc/42/51/87/643425187.db2.gz QEUIDRDIAQIAKL-OAHLLOKOSA-N 0 1 293.313 2.802 20 10 CFCDMN Cc1ccc(CN[C@@H](CO)c2ccc(F)cc2F)c(O)c1 ZINC000877640619 643425217 /nfs/dbraw/zinc/42/52/17/643425217.db2.gz 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/nfs/dbraw/zinc/89/28/87/650892887.db2.gz JMHKUVPDDLTQDU-UWVGGRQHSA-N 0 1 265.328 2.964 20 10 CFCDMN COC(=O)c1ccccc1CN(C)Cc1ccccc1O ZINC000091956424 650912100 /nfs/dbraw/zinc/91/21/00/650912100.db2.gz YDWOSKDZVMQPJL-UHFFFAOYSA-N 0 1 285.343 2.811 20 10 CFCDMN Cc1cc(C)n2c(CN(C)Cc3ccccc3O)cnc2n1 ZINC000091956801 650912579 /nfs/dbraw/zinc/91/25/79/650912579.db2.gz ZMUWJKIPVCVSJJ-UHFFFAOYSA-N 0 1 296.374 2.684 20 10 CFCDMN CC(=O)OC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000093453898 650940280 /nfs/dbraw/zinc/94/02/80/650940280.db2.gz ZEKQRGIDCMHYOH-UHFFFAOYSA-N 0 1 283.755 2.573 20 10 CFCDMN COc1ccc(O)c(CNCc2nc(C(C)C)c[nH]2)c1 ZINC000882999902 645555552 /nfs/dbraw/zinc/55/55/52/645555552.db2.gz DIWNCJABAPWPAB-UHFFFAOYSA-N 0 1 275.352 2.537 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000131156740 645638811 /nfs/dbraw/zinc/63/88/11/645638811.db2.gz UXZZLOURBGITGN-AAEUAGOBSA-N 0 1 257.333 2.985 20 10 CFCDMN O[C@H]1C[C@](NCc2ccc3c(c2)CCO3)(c2ccccc2)C1 ZINC000883234315 645682953 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ZINC000119316470 651297303 /nfs/dbraw/zinc/29/73/03/651297303.db2.gz KZTMCBUPMJTSBZ-NSHDSACASA-N 0 1 297.782 2.821 20 10 CFCDMN CN[C@@H]1CCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001236166211 778721921 /nfs/dbraw/zinc/72/19/21/778721921.db2.gz IQNDEYJGKJMKLE-KRWDZBQOSA-N 0 1 269.392 2.845 20 10 CFCDMN CCC1([NH3+])CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236185932 778729907 /nfs/dbraw/zinc/72/99/07/778729907.db2.gz CUGYQHVLCZXSSJ-UHFFFAOYSA-N 0 1 275.179 2.622 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237493103 779691210 /nfs/dbraw/zinc/69/12/10/779691210.db2.gz VLDMSEPQKLANTO-OAHLLOKOSA-N 0 1 275.392 2.949 20 10 CFCDMN COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000382570162 769866476 /nfs/dbraw/zinc/86/64/76/769866476.db2.gz QQOWDQJAOQHHOZ-SJCJKPOMSA-N 0 1 289.375 2.593 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723974801 770729301 /nfs/dbraw/zinc/72/93/01/770729301.db2.gz BFFWWDOGQMXBBF-BLLLJJGKSA-N 0 1 279.355 2.826 20 10 CFCDMN 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C[N@@H+](Cc1cccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685781 776618248 /nfs/dbraw/zinc/61/82/48/776618248.db2.gz XDDKCRHIVKSRCK-UHFFFAOYSA-N 0 1 264.275 2.697 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447018 777222117 /nfs/dbraw/zinc/22/21/17/777222117.db2.gz NJPWYNILQDKCGO-SNVBAGLBSA-N 0 1 299.317 2.958 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001231452675 777223256 /nfs/dbraw/zinc/22/32/56/777223256.db2.gz RFCFGCZCFKPMMO-NSHDSACASA-N 0 1 285.290 2.568 20 10 CFCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452681 777223725 /nfs/dbraw/zinc/22/37/25/777223725.db2.gz RJFYPWQGLMCTMY-WDEREUQCSA-N 0 1 263.337 2.711 20 10 CFCDMN CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231565231 777260792 /nfs/dbraw/zinc/26/07/92/777260792.db2.gz BQKIRPUXAXFBFN-NSHDSACASA-N 0 1 263.337 2.712 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001231567231 777261926 /nfs/dbraw/zinc/26/19/26/777261926.db2.gz XSFNLDKNSJDRGL-UHFFFAOYSA-N 0 1 275.348 2.857 20 10 CFCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231565228 777261990 /nfs/dbraw/zinc/26/19/90/777261990.db2.gz BQKIRPUXAXFBFN-LLVKDONJSA-N 0 1 263.337 2.712 20 10 CFCDMN Cc1cccc(CN2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001231591231 777271157 /nfs/dbraw/zinc/27/11/57/777271157.db2.gz WVFLTFSNAGPYCM-JSGCOSHPSA-N 0 1 255.308 2.973 20 10 CFCDMN Cc1cc(C)c(CN2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001231842608 777346933 /nfs/dbraw/zinc/34/69/33/777346933.db2.gz PEAOVVWAZVPREL-ZDUSSCGKSA-N 0 1 265.328 2.512 20 10 CFCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC001231853694 777352501 /nfs/dbraw/zinc/35/25/01/777352501.db2.gz NSNILBBXUXSMHQ-UHFFFAOYSA-N 0 1 292.423 2.762 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCC2OCCO2)cc1Cl ZINC001231870322 777359604 /nfs/dbraw/zinc/35/96/04/777359604.db2.gz UCMXUDVDZAVOBP-UHFFFAOYSA-N 0 1 285.771 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCC2OCCO2)cc1Cl ZINC001231870322 777359606 /nfs/dbraw/zinc/35/96/06/777359606.db2.gz UCMXUDVDZAVOBP-UHFFFAOYSA-N 0 1 285.771 2.549 20 10 CFCDMN C[C@@]1(O)CCN(Cc2ccc3ccccc3c2O)C[C@@H]1F ZINC001231879888 777362648 /nfs/dbraw/zinc/36/26/48/777362648.db2.gz UQNLMHDFGWQHER-DOTOQJQBSA-N 0 1 289.350 2.840 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879535 777363212 /nfs/dbraw/zinc/36/32/12/777363212.db2.gz HJRRHVIXTOSPHS-WFASDCNBSA-N 0 1 271.360 2.891 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879535 777363218 /nfs/dbraw/zinc/36/32/18/777363218.db2.gz HJRRHVIXTOSPHS-WFASDCNBSA-N 0 1 271.360 2.891 20 10 CFCDMN [O-]c1c(C[N@H+]2CCc3nccn3CC2)ccc2ccccc21 ZINC001231880945 777364416 /nfs/dbraw/zinc/36/44/16/777364416.db2.gz OTYSQDCWYCKNDC-UHFFFAOYSA-N 0 1 293.370 2.800 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCc3nccn3CC2)ccc2ccccc21 ZINC001231880945 777364420 /nfs/dbraw/zinc/36/44/20/777364420.db2.gz OTYSQDCWYCKNDC-UHFFFAOYSA-N 0 1 293.370 2.800 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001231909786 777380243 /nfs/dbraw/zinc/38/02/43/777380243.db2.gz IWUCGOGRAPIMTJ-AWEZNQCLSA-N 0 1 287.762 2.732 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@@]1(C)O ZINC001232258593 777496025 /nfs/dbraw/zinc/49/60/25/777496025.db2.gz AUHRROFPCGAYCI-MEBBXXQBSA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@]1(C)O ZINC001232258593 777496028 /nfs/dbraw/zinc/49/60/28/777496028.db2.gz AUHRROFPCGAYCI-MEBBXXQBSA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@@]1(C)O ZINC001232258593 777496032 /nfs/dbraw/zinc/49/60/32/777496032.db2.gz AUHRROFPCGAYCI-MEBBXXQBSA-N 0 1 299.798 2.734 20 10 CFCDMN Oc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232261260 777496505 /nfs/dbraw/zinc/49/65/05/777496505.db2.gz XXQAIMQBSILELZ-MEBBXXQBSA-N 0 1 297.782 2.752 20 10 CFCDMN [O-]c1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232261260 777496507 /nfs/dbraw/zinc/49/65/07/777496507.db2.gz 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ZINC001237084672 779009406 /nfs/dbraw/zinc/00/94/06/779009406.db2.gz NJKOZIGXURFXCX-IUCAKERBSA-N 0 1 287.190 2.587 20 10 CFCDMN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237119785 779017961 /nfs/dbraw/zinc/01/79/61/779017961.db2.gz FMVMHBJVBFQBGN-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237119785 779017966 /nfs/dbraw/zinc/01/79/66/779017966.db2.gz FMVMHBJVBFQBGN-NXEZZACHSA-N 0 1 287.762 2.778 20 10 CFCDMN Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237125069 779020473 /nfs/dbraw/zinc/02/04/73/779020473.db2.gz WPTZOCVKAMPCNJ-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237125069 779020476 /nfs/dbraw/zinc/02/04/76/779020476.db2.gz WPTZOCVKAMPCNJ-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237125069 779020481 /nfs/dbraw/zinc/02/04/81/779020481.db2.gz WPTZOCVKAMPCNJ-CQSZACIVSA-N 0 1 285.746 2.940 20 10 CFCDMN Oc1ccc(C(F)(F)F)cc1CN1CCCOCC1 ZINC001237137134 779023216 /nfs/dbraw/zinc/02/32/16/779023216.db2.gz MPDBOIGOBHOBQU-UHFFFAOYSA-N 0 1 275.270 2.633 20 10 CFCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415928 779040759 /nfs/dbraw/zinc/04/07/59/779040759.db2.gz ONNKTEWPCBWQND-ONGXEEELSA-N 0 1 289.297 2.756 20 10 CFCDMN Cc1cccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000698928063 779102371 /nfs/dbraw/zinc/10/23/71/779102371.db2.gz IHJIRLRRMPAZFU-IAQYHMDHSA-N 0 1 285.334 2.945 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415516 779103826 /nfs/dbraw/zinc/10/38/26/779103826.db2.gz PVDMSQOGVFQHBO-HZMBPMFUSA-N 0 1 298.789 2.759 20 10 CFCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(C)cccc3O)C[C@@H]21 ZINC001237488214 779119244 /nfs/dbraw/zinc/11/92/44/779119244.db2.gz KBWNLYYCEXJTLN-UKPHBRMFSA-N 0 1 275.392 2.948 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001237495203 779120577 /nfs/dbraw/zinc/12/05/77/779120577.db2.gz NDWGUCXUGADTPT-UHFFFAOYSA-N 0 1 297.402 2.808 20 10 CFCDMN O=C1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237617185 779144912 /nfs/dbraw/zinc/14/49/12/779144912.db2.gz MIGWSNWAGWNKSH-UHFFFAOYSA-N 0 1 271.719 2.740 20 10 CFCDMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(Cl)cc(F)c1O)C2 ZINC001237621568 779145514 /nfs/dbraw/zinc/14/55/14/779145514.db2.gz CLMZUGCDPSKOMF-FZMZJTMJSA-N 0 1 285.746 2.938 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC001237618819 779145631 /nfs/dbraw/zinc/14/56/31/779145631.db2.gz JGUUBQDMTHWMBI-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237622467 779146252 /nfs/dbraw/zinc/14/62/52/779146252.db2.gz SDQSCIGSFOICLZ-XTWCZFFVSA-N 0 1 285.746 2.651 20 10 CFCDMN C[N@H+](Cc1ccncn1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237623906 779146803 /nfs/dbraw/zinc/14/68/03/779146803.db2.gz MMMPKMZJJMXCTK-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN C[N@@H+](Cc1ccncn1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237623906 779146806 /nfs/dbraw/zinc/14/68/06/779146806.db2.gz MMMPKMZJJMXCTK-UHFFFAOYSA-N 0 1 281.718 2.607 20 10 CFCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622603 779147556 /nfs/dbraw/zinc/14/75/56/779147556.db2.gz VGASCDIKHLAZTF-LDYMZIIASA-N 0 1 273.735 2.530 20 10 CFCDMN COc1cc(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c(OC)c1 ZINC001237668653 779158673 /nfs/dbraw/zinc/15/86/73/779158673.db2.gz FCJCPQKOOXTSLA-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN COc1cc(CN2CCC[C@@](C)(F)C2)c(O)c(OC)c1 ZINC001237668653 779158675 /nfs/dbraw/zinc/15/86/75/779158675.db2.gz FCJCPQKOOXTSLA-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CCOC2(CC2)C1 ZINC001237800512 779179790 /nfs/dbraw/zinc/17/97/90/779179790.db2.gz ABNRVSLRUYRUOM-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN C[NH+]1CCC2(CN(Cc3cc(F)cc(Cl)c3[O-])C2)CC1 ZINC001237800665 779181650 /nfs/dbraw/zinc/18/16/50/779181650.db2.gz AKPOKGPGCYHAHY-UHFFFAOYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])C[C@H](C)[N@@H+]1C ZINC001237800351 779182331 /nfs/dbraw/zinc/18/23/31/779182331.db2.gz YBZHWAJGJBFYDB-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN O=C1CCCN(Cc2cc(F)cc(Cl)c2O)C[C@@H]1F ZINC001237808510 779184324 /nfs/dbraw/zinc/18/43/24/779184324.db2.gz TUSFASJZIUKKRX-NSHDSACASA-N 0 1 289.709 2.688 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC001237809713 779185649 /nfs/dbraw/zinc/18/56/49/779185649.db2.gz KTBKCXDVCUECPH-LLVKDONJSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001237933653 779210143 /nfs/dbraw/zinc/21/01/43/779210143.db2.gz FJCFQTYAVPHAJY-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN CC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941606 779213306 /nfs/dbraw/zinc/21/33/06/779213306.db2.gz ZDZRDTYJBLRYLH-VIFPVBQESA-N 0 1 271.719 2.596 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC[C@H]1CO ZINC001237946401 779215146 /nfs/dbraw/zinc/21/51/46/779215146.db2.gz LDKLRXDVCJCZHT-JTQLQIEISA-N 0 1 273.735 2.532 20 10 CFCDMN CN(Cc1cccc(-c2ccccc2)c1O)C1COC1 ZINC001234996605 779303392 /nfs/dbraw/zinc/30/33/92/779303392.db2.gz JEOZZYCBHHWDMD-UHFFFAOYSA-N 0 1 269.344 2.890 20 10 CFCDMN COc1cc(CN(C)Cc2ccccc2O)cnc1F ZINC001238450469 779318056 /nfs/dbraw/zinc/31/80/56/779318056.db2.gz DOVOJTUDRUULHW-UHFFFAOYSA-N 0 1 276.311 2.567 20 10 CFCDMN C[C@@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235675996 779369234 /nfs/dbraw/zinc/36/92/34/779369234.db2.gz NNKPUMPUJHWHDT-GFCCVEGCSA-N 0 1 263.381 2.910 20 10 CFCDMN COc1ccc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c1Cl ZINC001236808735 779642199 /nfs/dbraw/zinc/64/21/99/779642199.db2.gz IRPABUVIFXAUOT-VHSXEESVSA-N 0 1 285.771 2.663 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCO[C@@H](CCF)C1 ZINC000700591442 780702768 /nfs/dbraw/zinc/70/27/68/780702768.db2.gz MZWXUJIUMXJHTF-NSHDSACASA-N 0 1 273.735 2.606 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000700591442 780702773 /nfs/dbraw/zinc/70/27/73/780702773.db2.gz MZWXUJIUMXJHTF-NSHDSACASA-N 0 1 273.735 2.606 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000700591442 780702775 /nfs/dbraw/zinc/70/27/75/780702775.db2.gz MZWXUJIUMXJHTF-NSHDSACASA-N 0 1 273.735 2.606 20 10 CFCDMN CCOc1cccc(CN2CCC[C@H](F)C2)c1O ZINC000701660675 780822490 /nfs/dbraw/zinc/82/24/90/780822490.db2.gz XKZKXJMKCYLVKB-LBPRGKRZSA-N 0 1 253.317 2.725 20 10 CFCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3F)C2)no1 ZINC001137832080 780877924 /nfs/dbraw/zinc/87/79/24/780877924.db2.gz ZZGICMRQWPKNLI-NSHDSACASA-N 0 1 291.326 2.602 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccc(F)c1F ZINC000703458472 781014601 /nfs/dbraw/zinc/01/46/01/781014601.db2.gz JETILKJOAFZPEC-OLZOCXBDSA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccc(F)c1F ZINC000703458472 781014608 /nfs/dbraw/zinc/01/46/08/781014608.db2.gz JETILKJOAFZPEC-OLZOCXBDSA-N 0 1 283.318 2.814 20 10 CFCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO1 ZINC000703541326 781027208 /nfs/dbraw/zinc/02/72/08/781027208.db2.gz NFUOQMRJLOJQHW-LLVKDONJSA-N 0 1 271.307 2.671 20 10 CFCDMN COC[C@H]1CCCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703560499 781035865 /nfs/dbraw/zinc/03/58/65/781035865.db2.gz ALXUUNOERMFJBR-NSHDSACASA-N 0 1 285.334 2.919 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703592920 781036216 /nfs/dbraw/zinc/03/62/16/781036216.db2.gz JVKFDWMGDSPMOQ-LLVKDONJSA-N 0 1 271.307 2.671 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC000703614726 781039425 /nfs/dbraw/zinc/03/94/25/781039425.db2.gz BZJLAOAKMUHBNC-UHFFFAOYSA-N 0 1 259.296 2.529 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001137837896 781140701 /nfs/dbraw/zinc/14/07/01/781140701.db2.gz YHWNPJXEKBJTED-ZDUSSCGKSA-N 0 1 272.323 2.916 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707172952 781229806 /nfs/dbraw/zinc/22/98/06/781229806.db2.gz YXYBJKGMTJIWAU-VIFPVBQESA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707172952 781229814 /nfs/dbraw/zinc/22/98/14/781229814.db2.gz YXYBJKGMTJIWAU-VIFPVBQESA-N 0 1 270.170 2.997 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCCC(F)(F)C1 ZINC000708421429 781274655 /nfs/dbraw/zinc/27/46/55/781274655.db2.gz FZQBZROXZJUDDA-UHFFFAOYSA-N 0 1 263.234 2.902 20 10 CFCDMN CO[C@@H](C)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000263812441 348317493 /nfs/dbraw/zinc/31/74/93/348317493.db2.gz NOFOOEYHIDRDCN-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1ccccc1O ZINC000091974646 375074077 /nfs/dbraw/zinc/07/40/77/375074077.db2.gz LIJWULHBDIEXET-HXUWFJFHSA-N 0 1 289.400 2.762 20 10 CFCDMN CCOc1ccc(O)c(CN(CC)Cc2cnn(C)c2)c1 ZINC000092438123 375112454 /nfs/dbraw/zinc/11/24/54/375112454.db2.gz PHWDTOMVGXKXQJ-UHFFFAOYSA-N 0 1 289.379 2.547 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000124583212 377065372 /nfs/dbraw/zinc/06/53/72/377065372.db2.gz BWBOPVZJGZMJHJ-CYBMUJFWSA-N 0 1 280.799 2.716 20 10 CFCDMN COc1ccc(O)c(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000133473012 377933205 /nfs/dbraw/zinc/93/32/05/377933205.db2.gz RHMUNVHZNJAJRW-HOCLYGCPSA-N 0 1 277.364 2.544 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000134144860 377987073 /nfs/dbraw/zinc/98/70/73/377987073.db2.gz YTZGNONFNXGMCO-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000134144860 377987078 /nfs/dbraw/zinc/98/70/78/377987078.db2.gz YTZGNONFNXGMCO-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]([NH2+]C1CC1)c1ccc(Br)cc1[O-] ZINC000134901589 378060129 /nfs/dbraw/zinc/06/01/29/378060129.db2.gz WZGJARIDOXZFIT-ZETCQYMHSA-N 0 1 256.143 2.968 20 10 CFCDMN CCOCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134913158 378061925 /nfs/dbraw/zinc/06/19/25/378061925.db2.gz CIAJAGLDEBMYAI-SECBINFHSA-N 0 1 288.185 2.842 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(Br)cc1[O-] ZINC000134923105 378063946 /nfs/dbraw/zinc/06/39/46/378063946.db2.gz NWFCHSLHDUNHEJ-DTWKUNHWSA-N 0 1 288.185 2.576 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CCS1 ZINC000180312600 380644942 /nfs/dbraw/zinc/64/49/42/380644942.db2.gz IXKGNQGVURNZJA-ZDUSSCGKSA-N 0 1 267.394 2.728 20 10 CFCDMN Cc1cccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000180479124 380666608 /nfs/dbraw/zinc/66/66/08/380666608.db2.gz WGMGFFDHSJYSMC-UHFFFAOYSA-N 0 1 279.380 2.864 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180622351 380682728 /nfs/dbraw/zinc/68/27/28/380682728.db2.gz YGYUOLDRMQENRZ-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000180616114 380682836 /nfs/dbraw/zinc/68/28/36/380682836.db2.gz BGFKITLEQVQWSM-AWEZNQCLSA-N 0 1 267.756 2.658 20 10 CFCDMN CC(C)(C)c1cnc(SCc2c[nH]nn2)s1 ZINC000287400645 380822934 /nfs/dbraw/zinc/82/29/34/380822934.db2.gz BOGANGRVHHNUTH-UHFFFAOYSA-N 0 1 254.384 2.851 20 10 CFCDMN C[C@H](CF)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000288465064 381013087 /nfs/dbraw/zinc/01/30/87/381013087.db2.gz OJYKWZQNMZGYPJ-SSDOTTSWSA-N 0 1 262.122 2.602 20 10 CFCDMN Oc1ccccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000289081095 381023196 /nfs/dbraw/zinc/02/31/96/381023196.db2.gz AWXLQQWBQIQBFC-AWEZNQCLSA-N 0 1 257.337 2.843 20 10 CFCDMN COC[C@@H](NCc1cc(OC)ccc1O)c1ccc(C)o1 ZINC000182529461 381107274 /nfs/dbraw/zinc/10/72/74/381107274.db2.gz CYJVKKYYNAUUJZ-CQSZACIVSA-N 0 1 291.347 2.780 20 10 CFCDMN CN(C)c1ccc(CN[C@H](c2nccn2C)C2CC2)cc1 ZINC000183236676 381242193 /nfs/dbraw/zinc/24/21/93/381242193.db2.gz WKVPCEUCWDOSED-INIZCTEOSA-N 0 1 284.407 2.727 20 10 CFCDMN Cc1ccc([C@H](C)NCc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000296352831 381357771 /nfs/dbraw/zinc/35/77/71/381357771.db2.gz IIVZUJILIBKNHJ-JTQLQIEISA-N 0 1 272.352 2.547 20 10 CFCDMN C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000184866819 381489269 /nfs/dbraw/zinc/48/92/69/381489269.db2.gz ATWKPSOPTMQTLF-LBPRGKRZSA-N 0 1 298.386 2.722 20 10 CFCDMN C[C@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000184897346 381493486 /nfs/dbraw/zinc/49/34/86/381493486.db2.gz FXVXUEHGBVQKSH-JTQLQIEISA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000185109893 381538046 /nfs/dbraw/zinc/53/80/46/381538046.db2.gz BAFVIEVEWCQECN-WDEREUQCSA-N 0 1 296.798 2.707 20 10 CFCDMN CCOC(=O)[C@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000185621677 381685817 /nfs/dbraw/zinc/68/58/17/381685817.db2.gz AWKDULPKNBOMIP-CQSZACIVSA-N 0 1 277.364 2.537 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000185783569 381732839 /nfs/dbraw/zinc/73/28/39/381732839.db2.gz XBMOIPGZWFZVQH-QWRGUYRKSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000185829832 381747905 /nfs/dbraw/zinc/74/79/05/381747905.db2.gz CYCQIMQTLAMJPY-JBLDHEPKSA-N 0 1 267.756 2.633 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1[O-] ZINC000186114887 381826778 /nfs/dbraw/zinc/82/67/78/381826778.db2.gz ZRNPVOXOBMQGIB-JOYOIKCWSA-N 0 1 291.782 2.977 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000372980046 381902705 /nfs/dbraw/zinc/90/27/05/381902705.db2.gz MYWAFJJJIJDQAG-SCZZXKLOSA-N 0 1 293.317 2.602 20 10 CFCDMN C[C@H]([NH2+]CCCOCCO)c1ccc2ccccc2c1[O-] ZINC000186514202 381933716 /nfs/dbraw/zinc/93/37/16/381933716.db2.gz VHHXMYONEKDNFE-ZDUSSCGKSA-N 0 1 289.375 2.595 20 10 CFCDMN Cc1cnn(C2CN(Cc3cc(C)c(C)cc3O)C2)c1 ZINC000375849103 382107539 /nfs/dbraw/zinc/10/75/39/382107539.db2.gz MJGZJXAMOWVWGE-UHFFFAOYSA-N 0 1 271.364 2.571 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376714861 382166781 /nfs/dbraw/zinc/16/67/81/382166781.db2.gz HJAZOWDBHXKYHX-UHFFFAOYSA-N 0 1 291.782 2.868 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H](C)CO ZINC000293650209 382215242 /nfs/dbraw/zinc/21/52/42/382215242.db2.gz MXGBLYFSFORORT-JTQLQIEISA-N 0 1 257.761 2.557 20 10 CFCDMN CCOc1ccc(O)c(CN(C)Cc2conc2CC)c1 ZINC000293750996 382262726 /nfs/dbraw/zinc/26/27/26/382262726.db2.gz WWNRSCIVGNEXCY-UHFFFAOYSA-N 0 1 290.363 2.973 20 10 CFCDMN Cn1ccnc1[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000377890241 382365276 /nfs/dbraw/zinc/36/52/76/382365276.db2.gz TUCOETPMFPHXCV-LLVKDONJSA-N 0 1 291.782 2.769 20 10 CFCDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000377890241 382365280 /nfs/dbraw/zinc/36/52/80/382365280.db2.gz TUCOETPMFPHXCV-LLVKDONJSA-N 0 1 291.782 2.769 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378345109 382440727 /nfs/dbraw/zinc/44/07/27/382440727.db2.gz HEKHNMIERJDTAW-SNVBAGLBSA-N 0 1 292.770 2.543 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378345109 382440733 /nfs/dbraw/zinc/44/07/33/382440733.db2.gz HEKHNMIERJDTAW-SNVBAGLBSA-N 0 1 292.770 2.543 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378371894 382449714 /nfs/dbraw/zinc/44/97/14/382449714.db2.gz AIBBFVNHBRACCI-CFVMTHIKSA-N 0 1 261.365 2.638 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378499547 382474052 /nfs/dbraw/zinc/47/40/52/382474052.db2.gz UIRRXSDFLAKPSO-GLQYFDAESA-N 0 1 279.355 2.777 20 10 CFCDMN CS[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294434340 382512785 /nfs/dbraw/zinc/51/27/85/382512785.db2.gz PVVKMKULQBARMM-GFCCVEGCSA-N 0 1 283.368 2.671 20 10 CFCDMN CS[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000294434340 382512793 /nfs/dbraw/zinc/51/27/93/382512793.db2.gz PVVKMKULQBARMM-GFCCVEGCSA-N 0 1 283.368 2.671 20 10 CFCDMN CS[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000294434340 382512798 /nfs/dbraw/zinc/51/27/98/382512798.db2.gz PVVKMKULQBARMM-GFCCVEGCSA-N 0 1 283.368 2.671 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC000367687508 382582939 /nfs/dbraw/zinc/58/29/39/382582939.db2.gz NNZVIZLEWPXBBT-TXBJDVRTSA-N 0 1 293.794 2.901 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC000367687508 382582944 /nfs/dbraw/zinc/58/29/44/382582944.db2.gz NNZVIZLEWPXBBT-TXBJDVRTSA-N 0 1 293.794 2.901 20 10 CFCDMN C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1[O-] ZINC000190648519 382676240 /nfs/dbraw/zinc/67/62/40/382676240.db2.gz SQDMRVKPEVTNSJ-SNVBAGLBSA-N 0 1 285.771 2.849 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC1 ZINC000223950835 382808197 /nfs/dbraw/zinc/80/81/97/382808197.db2.gz PWFXOKGRGGKZSG-UHFFFAOYSA-N 0 1 256.143 2.797 20 10 CFCDMN Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000238001396 382976825 /nfs/dbraw/zinc/97/68/25/382976825.db2.gz SKAAOUBHQXTQTD-QGZVFWFLSA-N 0 1 295.386 2.872 20 10 CFCDMN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000268096269 384529790 /nfs/dbraw/zinc/52/97/90/384529790.db2.gz CKYJWACKTWZPFC-IINYFYTJSA-N 0 1 280.799 2.618 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000269332926 384749178 /nfs/dbraw/zinc/74/91/78/384749178.db2.gz CQQCYTSTZLYQFU-SECBINFHSA-N 0 1 290.190 2.903 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000269332928 384749237 /nfs/dbraw/zinc/74/92/37/384749237.db2.gz CQQCYTSTZLYQFU-VIFPVBQESA-N 0 1 290.190 2.903 20 10 CFCDMN Oc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000269665739 384828081 /nfs/dbraw/zinc/82/80/81/384828081.db2.gz VUBYCOAFTZQQOD-KRWDZBQOSA-N 0 1 298.386 2.968 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](C)CCCSC)c1 ZINC000281117780 385184822 /nfs/dbraw/zinc/18/48/22/385184822.db2.gz BVZIGCAVFNHXOA-UHFFFAOYSA-N 0 1 269.410 2.976 20 10 CFCDMN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000282190124 385241910 /nfs/dbraw/zinc/24/19/10/385241910.db2.gz GFNHIRVQYTUDAN-LZVRBXCZSA-N 0 1 287.812 2.607 20 10 CFCDMN CC(C)N(Cc1ccn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000271073831 385329651 /nfs/dbraw/zinc/32/96/51/385329651.db2.gz NCIXVMBETGMFJE-UHFFFAOYSA-N 0 1 286.423 2.897 20 10 CFCDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271479879 385383781 /nfs/dbraw/zinc/38/37/81/385383781.db2.gz JMDSUHOELUQUET-RYUDHWBXSA-N 0 1 287.411 2.845 20 10 CFCDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000271479878 385384052 /nfs/dbraw/zinc/38/40/52/385384052.db2.gz JMDSUHOELUQUET-NWDGAFQWSA-N 0 1 287.411 2.845 20 10 CFCDMN CCCC[N@@H+](CCc1ccnn1C)Cc1ccccc1O ZINC000282950014 385414565 /nfs/dbraw/zinc/41/45/65/385414565.db2.gz DAUKZCCLIWKIJQ-UHFFFAOYSA-N 0 1 287.407 2.971 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000272460682 385542237 /nfs/dbraw/zinc/54/22/37/385542237.db2.gz QQHORCCGIZYHDR-UHFFFAOYSA-N 0 1 267.344 2.564 20 10 CFCDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492137 385551932 /nfs/dbraw/zinc/55/19/32/385551932.db2.gz DXRVIPGVYURWLV-RKDXNWHRSA-N 0 1 290.190 2.902 20 10 CFCDMN Cc1ccc([C@H](C)NCc2nccn2C)c(O)c1C ZINC000273582422 385689439 /nfs/dbraw/zinc/68/94/39/385689439.db2.gz MXYLMNXFQDZJOM-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2nccn2C)c(O)c1C ZINC000273582420 385689465 /nfs/dbraw/zinc/68/94/65/385689465.db2.gz MXYLMNXFQDZJOM-GFCCVEGCSA-N 0 1 259.353 2.593 20 10 CFCDMN COCCN(Cc1ccco1)Cc1ccccc1O ZINC000109761273 393879531 /nfs/dbraw/zinc/87/95/31/393879531.db2.gz RDWFEISVODTPME-UHFFFAOYSA-N 0 1 261.321 2.634 20 10 CFCDMN CCn1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000122452824 393968543 /nfs/dbraw/zinc/96/85/43/393968543.db2.gz AGEXVNWNPHWCQB-GFCCVEGCSA-N 0 1 290.386 2.959 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H](C)O)c1cc(Br)ccc1[O-] ZINC000035601846 172291105 /nfs/dbraw/zinc/29/11/05/172291105.db2.gz RIDWLYATIWLBQZ-LDYMZIIASA-N 0 1 288.185 2.576 20 10 CFCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000353597879 228127652 /nfs/dbraw/zinc/12/76/52/228127652.db2.gz UYXGLXFJNHZSTN-GFCCVEGCSA-N 0 1 296.374 2.833 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000368472964 267174976 /nfs/dbraw/zinc/17/49/76/267174976.db2.gz CCABVMTVIJWCBJ-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000368472964 267174980 /nfs/dbraw/zinc/17/49/80/267174980.db2.gz CCABVMTVIJWCBJ-UHFFFAOYSA-N 0 1 267.756 2.801 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCCSCC2)c1O ZINC000050157646 277106014 /nfs/dbraw/zinc/10/60/14/277106014.db2.gz BRXKXRDYMZYVBH-UHFFFAOYSA-N 0 1 283.368 2.673 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@H](C)C2)c1[O-] ZINC000190429631 278244284 /nfs/dbraw/zinc/24/42/84/278244284.db2.gz BQJLHJYZLCLQSH-SNVBAGLBSA-N 0 1 297.395 2.919 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@H](C)C2)c1[O-] ZINC000190429631 278244286 /nfs/dbraw/zinc/24/42/86/278244286.db2.gz BQJLHJYZLCLQSH-SNVBAGLBSA-N 0 1 297.395 2.919 20 10 CFCDMN C[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000132560258 279270126 /nfs/dbraw/zinc/27/01/26/279270126.db2.gz MVFIQULCZBHUDB-VXGBXAGGSA-N 0 1 259.349 2.967 20 10 CFCDMN CN1CC[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000272540668 290232774 /nfs/dbraw/zinc/23/27/74/290232774.db2.gz BWRXYVPIYIPRTH-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000278644714 293165623 /nfs/dbraw/zinc/16/56/23/293165623.db2.gz DOTXGCNUIMTTIL-DGFSRKRXSA-N 0 1 299.798 2.890 20 10 CFCDMN Cc1cn2c(n1)CN(Cc1cccc(Cl)c1O)CC2 ZINC000359898991 329643363 /nfs/dbraw/zinc/64/33/63/329643363.db2.gz NSLLQIKZTZWMGJ-UHFFFAOYSA-N 0 1 277.755 2.566 20 10 CFCDMN CC(C)(C)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000279831449 518947289 /nfs/dbraw/zinc/94/72/89/518947289.db2.gz BCILYWHJJZCJHE-AWEZNQCLSA-N 0 1 267.344 2.778 20 10 CFCDMN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CCC1 ZINC000292861221 519799224 /nfs/dbraw/zinc/79/92/24/519799224.db2.gz VJAGPJZFSAOBAB-OAHLLOKOSA-N 0 1 281.371 2.808 20 10 CFCDMN CCN(CC)c1ccc(CN2CCC[C@](F)(CO)C2)cc1 ZINC000289917111 520893327 /nfs/dbraw/zinc/89/33/27/520893327.db2.gz VJWJJZCQOILWPW-QGZVFWFLSA-N 0 1 294.414 2.829 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278236320 521872054 /nfs/dbraw/zinc/87/20/54/521872054.db2.gz NKCVXSGCJUHCOV-NXEZZACHSA-N 0 1 280.324 2.539 20 10 CFCDMN CN(C)c1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000036168161 522208564 /nfs/dbraw/zinc/20/85/64/522208564.db2.gz CKOBZQYHLFJTDL-UHFFFAOYSA-N 0 1 284.359 2.771 20 10 CFCDMN COC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000081071739 522474183 /nfs/dbraw/zinc/47/41/83/522474183.db2.gz CDYFKPKXFFKDAA-LLVKDONJSA-N 0 1 297.782 2.717 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000081071739 522474193 /nfs/dbraw/zinc/47/41/93/522474193.db2.gz CDYFKPKXFFKDAA-LLVKDONJSA-N 0 1 297.782 2.717 20 10 CFCDMN CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(C)cc1O ZINC000280132148 522730069 /nfs/dbraw/zinc/73/00/69/522730069.db2.gz OZQWQNOPNOYZQT-RDJZCZTQSA-N 0 1 298.386 2.968 20 10 CFCDMN CC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000124408042 522821691 /nfs/dbraw/zinc/82/16/91/522821691.db2.gz WCEYYGXBTGKOAN-YPMHNXCESA-N 0 1 259.349 2.967 20 10 CFCDMN COC(=O)[C@H](CC(C)C)NCc1cccc(Cl)c1O ZINC000158701044 523895771 /nfs/dbraw/zinc/89/57/71/523895771.db2.gz SVYRQDXEQOLVAL-LBPRGKRZSA-N 0 1 285.771 2.723 20 10 CFCDMN CN1CCc2cc(CNCc3ccccc3[N+](=O)[O-])ccc21 ZINC000237146104 523997341 /nfs/dbraw/zinc/99/73/41/523997341.db2.gz HHWORGDGJSECKO-UHFFFAOYSA-N 0 1 297.358 2.877 20 10 CFCDMN COc1ccc(CNCc2c(C)noc2C)cc1C ZINC000063550105 524072286 /nfs/dbraw/zinc/07/22/86/524072286.db2.gz CEKAVFBNIDPALA-UHFFFAOYSA-N 0 1 260.337 2.898 20 10 CFCDMN COc1ccc(N(Cc2n[nH]c(C)n2)[C@@H](C)C2CC2)cc1 ZINC000293253314 524370106 /nfs/dbraw/zinc/37/01/06/524370106.db2.gz ROOHQIVPHQECGX-NSHDSACASA-N 0 1 286.379 2.927 20 10 CFCDMN C[C@H]([NH2+]CCCN1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000191188443 525335484 /nfs/dbraw/zinc/33/54/84/525335484.db2.gz QGBPJOBCLWXRMS-NSHDSACASA-N 0 1 284.350 2.807 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000192748393 525674490 /nfs/dbraw/zinc/67/44/90/525674490.db2.gz JYEZOBRBNVJBRL-WBMJQRKESA-N 0 1 298.386 2.865 20 10 CFCDMN C[C@H](O)CC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000266162781 525708438 /nfs/dbraw/zinc/70/84/38/525708438.db2.gz OCBPRBPTOUOPEE-JTQLQIEISA-N 0 1 271.788 2.932 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000293872532 526332670 /nfs/dbraw/zinc/33/26/70/526332670.db2.gz JECUQVQSXDCMFG-NSHDSACASA-N 0 1 295.745 2.828 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230313741 526346853 /nfs/dbraw/zinc/34/68/53/526346853.db2.gz LLHZYUQADFPBSK-OCCSQVGLSA-N 0 1 267.756 2.703 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCSC1 ZINC000228559094 526363146 /nfs/dbraw/zinc/36/31/46/526363146.db2.gz YTVUYIPXLMYEMA-SECBINFHSA-N 0 1 257.786 2.888 20 10 CFCDMN Cc1nnsc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000293767822 526448259 /nfs/dbraw/zinc/44/82/59/526448259.db2.gz SMIZOMZBPHNUOP-JTQLQIEISA-N 0 1 276.409 2.763 20 10 CFCDMN Cn1nccc1CNCc1ccc(N2CCCCC2)cc1 ZINC000070141170 527610790 /nfs/dbraw/zinc/61/07/90/527610790.db2.gz IIBXYKFSRLKEOM-UHFFFAOYSA-N 0 1 284.407 2.700 20 10 CFCDMN O=C(C1=CC(=O)CS1)N1CCC[C@H]1CN1CCCCC1 ZINC000732284734 574150204 /nfs/dbraw/zinc/15/02/04/574150204.db2.gz AKJGVARXRPVUME-LBPRGKRZSA-N 0 1 294.420 2.544 20 10 CFCDMN Cc1ccc(O)c(CNCc2cn3cc(C)ccc3n2)c1 ZINC000733327272 574221835 /nfs/dbraw/zinc/22/18/35/574221835.db2.gz QZELMUBJKFRXJO-UHFFFAOYSA-N 0 1 281.359 2.947 20 10 CFCDMN CC(C)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756307806 574223951 /nfs/dbraw/zinc/22/39/51/574223951.db2.gz IJHWJBDFIRNSDE-MRVPVSSYSA-N 0 1 289.734 2.631 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000740087430 574235466 /nfs/dbraw/zinc/23/54/66/574235466.db2.gz BILXRAVUVMSEOW-UHFFFAOYSA-N 0 1 292.379 2.583 20 10 CFCDMN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000756534386 574244064 /nfs/dbraw/zinc/24/40/64/574244064.db2.gz KRYHJNSUNNBMJT-FXPVBKGRSA-N 0 1 290.342 2.559 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000756531983 574244302 /nfs/dbraw/zinc/24/43/02/574244302.db2.gz CEBVPJZBDBDMEJ-MWLCHTKSSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H](NCc1cc[nH]n1)c1cc(Cl)ccc1O ZINC000756558046 574247528 /nfs/dbraw/zinc/24/75/28/574247528.db2.gz ZAPQUZVVPMGREN-QMMMGPOBSA-N 0 1 251.717 2.620 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)c2c1c(F)ccc2[O-] ZINC000756760888 574260906 /nfs/dbraw/zinc/26/09/06/574260906.db2.gz RRUIHJFIWZGCQC-GXSJLCMTSA-N 0 1 267.344 2.688 20 10 CFCDMN C[C@@H](NCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000756778264 574262445 /nfs/dbraw/zinc/26/24/45/574262445.db2.gz NNQYKZZUSIXZBW-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000741753384 574300917 /nfs/dbraw/zinc/30/09/17/574300917.db2.gz WVWCMRIFRKWANV-UONOGXRCSA-N 0 1 262.397 2.752 20 10 CFCDMN O=C([O-])c1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000821545646 598212806 /nfs/dbraw/zinc/21/28/06/598212806.db2.gz LNCCTTXCQBIRJA-UHFFFAOYSA-N 0 1 275.279 2.519 20 10 CFCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C(C)(C)C(=O)[O-] ZINC000833694983 604628612 /nfs/dbraw/zinc/62/86/12/604628612.db2.gz GNGIMZLJRNTPFU-UHFFFAOYSA-N 0 1 290.407 2.972 20 10 CFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000833419507 605548771 /nfs/dbraw/zinc/54/87/71/605548771.db2.gz FTELURKNNCXOJM-GFCCVEGCSA-N 0 1 295.354 2.854 20 10 CFCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000833419507 605548773 /nfs/dbraw/zinc/54/87/73/605548773.db2.gz FTELURKNNCXOJM-GFCCVEGCSA-N 0 1 295.354 2.854 20 10 CFCDMN CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758225 617835947 /nfs/dbraw/zinc/83/59/47/617835947.db2.gz SOGBEWCSNMGXJK-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758225 617835949 /nfs/dbraw/zinc/83/59/49/617835949.db2.gz SOGBEWCSNMGXJK-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000175811367 617960732 /nfs/dbraw/zinc/96/07/32/617960732.db2.gz JMHKUVPDDLTQDU-NXEZZACHSA-N 0 1 265.328 2.964 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000175811367 617960735 /nfs/dbraw/zinc/96/07/35/617960735.db2.gz JMHKUVPDDLTQDU-NXEZZACHSA-N 0 1 265.328 2.964 20 10 CFCDMN COCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000848564036 617977804 /nfs/dbraw/zinc/97/78/04/617977804.db2.gz AAPHQLSHOUABKJ-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000083551606 618025089 /nfs/dbraw/zinc/02/50/89/618025089.db2.gz XUVMWYMDDDKGNC-GFCCVEGCSA-N 0 1 299.798 2.721 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000894050603 618290668 /nfs/dbraw/zinc/29/06/68/618290668.db2.gz QYPCFEYKVXNIKZ-XHDPSFHLSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000894050603 618290673 /nfs/dbraw/zinc/29/06/73/618290673.db2.gz QYPCFEYKVXNIKZ-XHDPSFHLSA-N 0 1 298.377 2.833 20 10 CFCDMN CC(C)[C@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000310526445 618317691 /nfs/dbraw/zinc/31/76/91/618317691.db2.gz OWTUXMYSUWMYKT-CYBMUJFWSA-N 0 1 257.761 2.542 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2ocnc2C)cc1 ZINC000895137956 618367239 /nfs/dbraw/zinc/36/72/39/618367239.db2.gz QEVKNACNPBDZLO-UHFFFAOYSA-N 0 1 289.379 2.560 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179891389 618393502 /nfs/dbraw/zinc/39/35/02/618393502.db2.gz ZVCTURDGMNICML-GFCCVEGCSA-N 0 1 283.755 2.573 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179891389 618393512 /nfs/dbraw/zinc/39/35/12/618393512.db2.gz ZVCTURDGMNICML-GFCCVEGCSA-N 0 1 283.755 2.573 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146754 618428317 /nfs/dbraw/zinc/42/83/17/618428317.db2.gz MJGFPXQIVFTWPP-AWEZNQCLSA-N 0 1 299.798 2.721 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2CSC2)c(Cl)c1 ZINC000895423813 618583325 /nfs/dbraw/zinc/58/33/25/618583325.db2.gz WLYBKVZUBGTQPA-UHFFFAOYSA-N 0 1 257.786 2.807 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000895461036 618597267 /nfs/dbraw/zinc/59/72/67/618597267.db2.gz KPVAGVUVBGXZMK-ONGXEEELSA-N 0 1 285.359 2.855 20 10 CFCDMN COCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000310964866 618666183 /nfs/dbraw/zinc/66/61/83/618666183.db2.gz OLKQBCSOIWQEBA-UHFFFAOYSA-N 0 1 269.772 2.952 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000312323406 618930103 /nfs/dbraw/zinc/93/01/03/618930103.db2.gz GSGIJJNZFMAYDK-UHFFFAOYSA-N 0 1 276.380 2.582 20 10 CFCDMN COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093754752 619052715 /nfs/dbraw/zinc/05/27/15/619052715.db2.gz SUBKPVCJNSRUNT-LBPRGKRZSA-N 0 1 299.798 2.531 20 10 CFCDMN COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093754752 619052718 /nfs/dbraw/zinc/05/27/18/619052718.db2.gz SUBKPVCJNSRUNT-LBPRGKRZSA-N 0 1 299.798 2.531 20 10 CFCDMN [O-]c1cc(Br)ccc1C[NH+]1CCCC1 ZINC000258186303 619074147 /nfs/dbraw/zinc/07/41/47/619074147.db2.gz TVFCKKOFUABMKM-UHFFFAOYSA-N 0 1 256.143 2.751 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cccc(N(C)C)n1 ZINC000840935939 619077112 /nfs/dbraw/zinc/07/71/12/619077112.db2.gz DXOSUAVGHAEALS-UHFFFAOYSA-N 0 1 298.434 2.812 20 10 CFCDMN Cc1cc(O)c(CNCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000840951414 619122761 /nfs/dbraw/zinc/12/27/61/619122761.db2.gz WHKPIAPTJZDAPK-UHFFFAOYSA-N 0 1 292.770 2.639 20 10 CFCDMN C[C@@H](NCc1cc(Cl)cc(F)c1O)c1csnn1 ZINC000840970949 619185398 /nfs/dbraw/zinc/18/53/98/619185398.db2.gz YOJIAOIVEVCDLP-ZCFIWIBFSA-N 0 1 287.747 2.887 20 10 CFCDMN COc1ccnc([C@@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000924902139 619271395 /nfs/dbraw/zinc/27/13/95/619271395.db2.gz XEPGQDAERUMMHS-GFCCVEGCSA-N 0 1 284.359 2.876 20 10 CFCDMN COC(=O)[C@@H](C)N(Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894545669 619414867 /nfs/dbraw/zinc/41/48/67/619414867.db2.gz UEOYDSFTITYVNP-SECBINFHSA-N 0 1 299.317 2.586 20 10 CFCDMN CN(Cc1ncc[nH]1)Cc1cc(Cl)c(F)cc1O ZINC000894586504 619424885 /nfs/dbraw/zinc/42/48/85/619424885.db2.gz GIENMOUZAMITDU-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000894856588 619485043 /nfs/dbraw/zinc/48/50/43/619485043.db2.gz YXXCCMJLPSKRHP-CYBMUJFWSA-N 0 1 283.318 2.550 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CC(C(F)(F)F)C1 ZINC000894891034 619500018 /nfs/dbraw/zinc/50/00/18/619500018.db2.gz SQQMMQDDWJJAEA-UHFFFAOYSA-N 0 1 267.197 2.665 20 10 CFCDMN CN(C)c1ccc(/C=C/CN2CCc3ncncc3C2)cc1 ZINC000895723453 619591299 /nfs/dbraw/zinc/59/12/99/619591299.db2.gz GXLWMZYKFHWVBO-ONEGZZNKSA-N 0 1 294.402 2.614 20 10 CFCDMN CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895921979 619634678 /nfs/dbraw/zinc/63/46/78/619634678.db2.gz DUPPLWVDUGBDFF-GFCCVEGCSA-N 0 1 285.334 2.653 20 10 CFCDMN CC(C)OC1CN(Cc2cccc(Cl)c2O)C1 ZINC000895954839 619644083 /nfs/dbraw/zinc/64/40/83/619644083.db2.gz IWQOSPHSBCUKDN-UHFFFAOYSA-N 0 1 255.745 2.655 20 10 CFCDMN CCN(CC)c1ccc(CN2CC(COC)C2)cc1F ZINC000895971939 619646820 /nfs/dbraw/zinc/64/68/20/619646820.db2.gz YEEGHPFXHZRRFZ-UHFFFAOYSA-N 0 1 280.387 2.750 20 10 CFCDMN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000896584062 619767252 /nfs/dbraw/zinc/76/72/52/619767252.db2.gz LLINAMBACDCNCW-LBPRGKRZSA-N 0 1 266.360 2.503 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCn2cccc2C1 ZINC000896760695 619808564 /nfs/dbraw/zinc/80/85/64/619808564.db2.gz NPQRMODQZVSELJ-UHFFFAOYSA-N 0 1 262.740 2.863 20 10 CFCDMN CCOCCOCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000897203753 619949245 /nfs/dbraw/zinc/94/92/45/619949245.db2.gz CZENQFHYGHUFSN-UHFFFAOYSA-N 0 1 289.375 2.688 20 10 CFCDMN C[N@H+]1C[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@]2(C)C1 ZINC000897620093 620261744 /nfs/dbraw/zinc/26/17/44/620261744.db2.gz HBTADGNONRYBHL-ABAIWWIYSA-N 0 1 298.789 2.568 20 10 CFCDMN COc1cccc(O)c1CN[C@@H](C)c1cncs1 ZINC000897935345 620307114 /nfs/dbraw/zinc/30/71/14/620307114.db2.gz VBJRDVGTYMXOBK-VIFPVBQESA-N 0 1 264.350 2.708 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172692 620343356 /nfs/dbraw/zinc/34/33/56/620343356.db2.gz VKGRHXGPQFPYAB-UHFFFAOYSA-N 0 1 291.778 2.870 20 10 CFCDMN C[C@H]([NH2+]CC1(N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902407553 621055767 /nfs/dbraw/zinc/05/57/67/621055767.db2.gz QLKWAZJODLEPHO-ZETCQYMHSA-N 0 1 275.179 2.841 20 10 CFCDMN CCn1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000902490435 621102381 /nfs/dbraw/zinc/10/23/81/621102381.db2.gz NSMGOGSXSANTII-ZDUSSCGKSA-N 0 1 272.396 2.820 20 10 CFCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@@H]1CO)CCCC3 ZINC000902631233 621139362 /nfs/dbraw/zinc/13/93/62/621139362.db2.gz WCOMSTWBQCHASO-LLVKDONJSA-N 0 1 287.359 2.584 20 10 CFCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H]1CO)CCCC3 ZINC000902631233 621139363 /nfs/dbraw/zinc/13/93/63/621139363.db2.gz WCOMSTWBQCHASO-LLVKDONJSA-N 0 1 287.359 2.584 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)NCc2cn(C)cn2)c1O ZINC000903351619 621343835 /nfs/dbraw/zinc/34/38/35/621343835.db2.gz NFMQAPBQWREVRW-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(Cl)cc1[O-] ZINC000903352268 621343980 /nfs/dbraw/zinc/34/39/80/621343980.db2.gz RWWVJXMBWUDZHP-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(N)nn2)cc1 ZINC000904305290 621569589 /nfs/dbraw/zinc/56/95/89/621569589.db2.gz JVDBNHJTWDKLQI-UHFFFAOYSA-N 0 1 299.422 2.537 20 10 CFCDMN Cc1cc(O)c(CN2CCn3cccc3C2)cc1C ZINC000905746130 621830110 /nfs/dbraw/zinc/83/01/10/621830110.db2.gz VFNIKPQZFHYZET-UHFFFAOYSA-N 0 1 256.349 2.826 20 10 CFCDMN CC[C@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000841820093 622664994 /nfs/dbraw/zinc/66/49/94/622664994.db2.gz MJOOTUIVUKYNOD-MRVPVSSYSA-N 0 1 289.734 2.775 20 10 CFCDMN Cc1nn(C)c(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000157575447 623041513 /nfs/dbraw/zinc/04/15/13/623041513.db2.gz NVCHGEBYQIWETK-UHFFFAOYSA-N 0 1 286.423 2.735 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000226614503 623084681 /nfs/dbraw/zinc/08/46/81/623084681.db2.gz GIEKPDWRXDUEAH-UHFFFAOYSA-N 0 1 267.344 2.564 20 10 CFCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000227830065 623120431 /nfs/dbraw/zinc/12/04/31/623120431.db2.gz SJETZJLWXBECEI-CHWSQXEVSA-N 0 1 269.772 2.949 20 10 CFCDMN CC(C)[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230689702 623294290 /nfs/dbraw/zinc/29/42/90/623294290.db2.gz VVVBFRGFRKAFQN-LBPRGKRZSA-N 0 1 257.761 2.542 20 10 CFCDMN CCn1nnc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000824195816 623467951 /nfs/dbraw/zinc/46/79/51/623467951.db2.gz KJWXGTIAHQRYET-GFCCVEGCSA-N 0 1 287.411 2.523 20 10 CFCDMN C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1[O-] ZINC000757697486 623492549 /nfs/dbraw/zinc/49/25/49/623492549.db2.gz KFQYWMSGAWKQCC-VIFPVBQESA-N 0 1 285.771 2.848 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000824636258 623536492 /nfs/dbraw/zinc/53/64/92/623536492.db2.gz NLMYYWWTQIASIM-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000824636258 623536496 /nfs/dbraw/zinc/53/64/96/623536496.db2.gz NLMYYWWTQIASIM-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1cccc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825016301 623606274 /nfs/dbraw/zinc/60/62/74/623606274.db2.gz AHLXQWKNYZALML-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN CCCc1ncc(CNCc2ccc(N(C)C)cc2)o1 ZINC000825079627 623624028 /nfs/dbraw/zinc/62/40/28/623624028.db2.gz XJWNZVCVOPKVNG-UHFFFAOYSA-N 0 1 273.380 2.983 20 10 CFCDMN CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000825090868 623626599 /nfs/dbraw/zinc/62/65/99/623626599.db2.gz LPKBAXINMJHMLC-CQSZACIVSA-N 0 1 293.407 2.774 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000825090868 623626606 /nfs/dbraw/zinc/62/66/06/623626606.db2.gz LPKBAXINMJHMLC-CQSZACIVSA-N 0 1 293.407 2.774 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC(C)C)cc1Cl ZINC000825130517 623635950 /nfs/dbraw/zinc/63/59/50/623635950.db2.gz BIPOGINSBWUJCO-LBPRGKRZSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)CC(C)C)cc1Cl ZINC000825167898 623643007 /nfs/dbraw/zinc/64/30/07/623643007.db2.gz SMKYWLFZKPORRW-LBPRGKRZSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC(=O)NC2CCCC2)cc1Cl ZINC000825222497 623652707 /nfs/dbraw/zinc/65/27/07/623652707.db2.gz HCCHOIJWKVUOCZ-UHFFFAOYSA-N 0 1 296.798 2.502 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1Cl ZINC000825254619 623659661 /nfs/dbraw/zinc/65/96/61/623659661.db2.gz SSHRUTPZYRSYJS-CQSZACIVSA-N 0 1 294.826 2.928 20 10 CFCDMN CCc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])[nH]n1 ZINC000825279217 623663414 /nfs/dbraw/zinc/66/34/14/623663414.db2.gz SAOYKIAPUNLQGP-UHFFFAOYSA-N 0 1 279.771 2.929 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338188 623676862 /nfs/dbraw/zinc/67/68/62/623676862.db2.gz NHYYALJCFRERBC-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338374 623677002 /nfs/dbraw/zinc/67/70/02/623677002.db2.gz PJJLHDZMKIYSFK-CYBMUJFWSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338374 623677004 /nfs/dbraw/zinc/67/70/04/623677004.db2.gz PJJLHDZMKIYSFK-CYBMUJFWSA-N 0 1 282.815 2.960 20 10 CFCDMN CC(C)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338374 623677007 /nfs/dbraw/zinc/67/70/07/623677007.db2.gz PJJLHDZMKIYSFK-CYBMUJFWSA-N 0 1 282.815 2.960 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1Cl ZINC000825435759 623693051 /nfs/dbraw/zinc/69/30/51/623693051.db2.gz JCSWLZLCCMPFMT-MGNBDDOMSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825474770 623700414 /nfs/dbraw/zinc/70/04/14/623700414.db2.gz GOIRNAWZQXKGCC-WDEREUQCSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825474770 623700421 /nfs/dbraw/zinc/70/04/21/623700421.db2.gz GOIRNAWZQXKGCC-WDEREUQCSA-N 0 1 269.772 2.557 20 10 CFCDMN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825514760 623706653 /nfs/dbraw/zinc/70/66/53/623706653.db2.gz SCKFCWKUQZAVMS-ZFWWWQNUSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000825568444 623717540 /nfs/dbraw/zinc/71/75/40/623717540.db2.gz XZRQYBZDPFOPCN-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000825568444 623717545 /nfs/dbraw/zinc/71/75/45/623717545.db2.gz XZRQYBZDPFOPCN-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN CCC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000152505065 623724436 /nfs/dbraw/zinc/72/44/36/623724436.db2.gz ROKOLGURXNTOKY-CQSZACIVSA-N 0 1 279.380 2.710 20 10 CFCDMN CCC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000152505136 623724903 /nfs/dbraw/zinc/72/49/03/623724903.db2.gz ROKOLGURXNTOKY-AWEZNQCLSA-N 0 1 279.380 2.710 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CO)C(C)C)cc1Cl ZINC000825900769 623768003 /nfs/dbraw/zinc/76/80/03/623768003.db2.gz QPRFDXKGZRWXSX-GFCCVEGCSA-N 0 1 271.788 2.708 20 10 CFCDMN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825948624 623774868 /nfs/dbraw/zinc/77/48/68/623774868.db2.gz GIVQVSCRIUPVDR-NXEZZACHSA-N 0 1 257.761 2.867 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)cc1Cl ZINC000826047829 623787742 /nfs/dbraw/zinc/78/77/42/623787742.db2.gz BRYOWGANQGEOTO-SNVBAGLBSA-N 0 1 271.788 2.993 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@H](C)C2)c(Cl)c1 ZINC000842775402 623804156 /nfs/dbraw/zinc/80/41/56/623804156.db2.gz NGJIMUKIWYUTAB-ZJUUUORDSA-N 0 1 255.745 2.621 20 10 CFCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cnc[nH]2)cc1 ZINC000826768554 623869271 /nfs/dbraw/zinc/86/92/71/623869271.db2.gz CKYCXIYBVCTZLO-PLNGDYQASA-N 0 1 270.380 2.621 20 10 CFCDMN COCCC1C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000826899276 623905243 /nfs/dbraw/zinc/90/52/43/623905243.db2.gz IKUXWHIWULZABW-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279994 623980426 /nfs/dbraw/zinc/98/04/26/623980426.db2.gz COJSOLATAGPMKK-SWLSCSKDSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279994 623980428 /nfs/dbraw/zinc/98/04/28/623980428.db2.gz COJSOLATAGPMKK-SWLSCSKDSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279994 623980430 /nfs/dbraw/zinc/98/04/30/623980430.db2.gz COJSOLATAGPMKK-SWLSCSKDSA-N 0 1 281.783 2.822 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827507701 624020593 /nfs/dbraw/zinc/02/05/93/624020593.db2.gz ZAZVBGCACWZWRY-IUCAKERBSA-N 0 1 282.727 2.796 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000827602756 624043758 /nfs/dbraw/zinc/04/37/58/624043758.db2.gz UOZQHGDCYUOFQQ-YPMHNXCESA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000827602756 624043762 /nfs/dbraw/zinc/04/37/62/624043762.db2.gz UOZQHGDCYUOFQQ-YPMHNXCESA-N 0 1 281.783 2.822 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@]1(C)CO ZINC000827691846 624065528 /nfs/dbraw/zinc/06/55/28/624065528.db2.gz CIGACNZXRAYBHV-XPTSAGLGSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000112018062 624275186 /nfs/dbraw/zinc/27/51/86/624275186.db2.gz SFGGDWWQOWHIIB-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCCO1 ZINC000918731967 624481270 /nfs/dbraw/zinc/48/12/70/624481270.db2.gz HMPDAOKOOSHKAH-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCCO1 ZINC000918731967 624481275 /nfs/dbraw/zinc/48/12/75/624481275.db2.gz HMPDAOKOOSHKAH-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H](C)O ZINC000834889006 625910839 /nfs/dbraw/zinc/91/08/39/625910839.db2.gz SYKYGPXAKPJDFK-LNLATYFQSA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1O ZINC000834893893 625912325 /nfs/dbraw/zinc/91/23/25/625912325.db2.gz IDSFAXOXIZWAQL-MDZLAQPJSA-N 0 1 257.337 2.945 20 10 CFCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000834902476 625916705 /nfs/dbraw/zinc/91/67/05/625916705.db2.gz BCRBIZQMMBOFMD-UMVBOHGHSA-N 0 1 299.798 2.890 20 10 CFCDMN COc1ccc(O)c(CN2CC(CC(F)(F)F)C2)c1 ZINC000839139218 626528378 /nfs/dbraw/zinc/52/83/78/626528378.db2.gz YPMYLPQZFGLOPD-UHFFFAOYSA-N 0 1 275.270 2.785 20 10 CFCDMN CCOC1(C)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839142070 626528653 /nfs/dbraw/zinc/52/86/53/626528653.db2.gz GDTSMEFPSIXXFT-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN CC[C@H]([NH2+]CC[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000760009566 626708888 /nfs/dbraw/zinc/70/88/88/626708888.db2.gz CPEDTRZAPCZKCG-CABZTGNLSA-N 0 1 257.761 2.857 20 10 CFCDMN CCOc1cccc(CNCc2ccc(F)cn2)c1O ZINC000763524281 626995089 /nfs/dbraw/zinc/99/50/89/626995089.db2.gz ZPQDKPRHJKSAFO-UHFFFAOYSA-N 0 1 276.311 2.615 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000765790982 627157974 /nfs/dbraw/zinc/15/79/74/627157974.db2.gz YFZZRDITWGDQMF-MWLCHTKSSA-N 0 1 297.704 2.837 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)OC[C@H]2CC)c(O)c1 ZINC000768171373 627322640 /nfs/dbraw/zinc/32/26/40/627322640.db2.gz DHDGSFFTHRRMHZ-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768441398 627342495 /nfs/dbraw/zinc/34/24/95/627342495.db2.gz KWYWFOKHMMCGDM-PVXIVEMSSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768441398 627342500 /nfs/dbraw/zinc/34/25/00/627342500.db2.gz KWYWFOKHMMCGDM-PVXIVEMSSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@H]([N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000768440541 627342875 /nfs/dbraw/zinc/34/28/75/627342875.db2.gz FNSSWJPYGWHYQG-IINYFYTJSA-N 0 1 279.380 2.684 20 10 CFCDMN C[C@H]([N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000768440541 627342878 /nfs/dbraw/zinc/34/28/78/627342878.db2.gz FNSSWJPYGWHYQG-IINYFYTJSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H](C)C(C)C ZINC000768440009 627343147 /nfs/dbraw/zinc/34/31/47/627343147.db2.gz NBMKMMZUIUEUPN-IAQYHMDHSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H](C)C(C)C ZINC000768440009 627343150 /nfs/dbraw/zinc/34/31/50/627343150.db2.gz NBMKMMZUIUEUPN-IAQYHMDHSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H](C)C(C)C ZINC000768440007 627343342 /nfs/dbraw/zinc/34/33/42/627343342.db2.gz NBMKMMZUIUEUPN-ABAIWWIYSA-N 0 1 279.380 2.684 20 10 CFCDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H](C)C(C)C ZINC000768440007 627343345 /nfs/dbraw/zinc/34/33/45/627343345.db2.gz NBMKMMZUIUEUPN-ABAIWWIYSA-N 0 1 279.380 2.684 20 10 CFCDMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448477 627344493 /nfs/dbraw/zinc/34/44/93/627344493.db2.gz VGDVNYIBAZUIDS-WQGACYEGSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448477 627344496 /nfs/dbraw/zinc/34/44/96/627344496.db2.gz VGDVNYIBAZUIDS-WQGACYEGSA-N 0 1 291.391 2.829 20 10 CFCDMN Oc1cccc(Cl)c1CN1CCCC[C@H]1C1OCCO1 ZINC000769298350 627420829 /nfs/dbraw/zinc/42/08/29/627420829.db2.gz MTIZPVOKCPDQTC-ZDUSSCGKSA-N 0 1 297.782 2.773 20 10 CFCDMN Cc1ccc(O)c(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1 ZINC000769460457 627442397 /nfs/dbraw/zinc/44/23/97/627442397.db2.gz IHFJIQHWNYSGET-UHFFFAOYSA-N 0 1 290.407 2.532 20 10 CFCDMN CCN(C)c1ccc(CN(CCO)Cc2cccnc2)cc1 ZINC000773764668 627856983 /nfs/dbraw/zinc/85/69/83/627856983.db2.gz AXJSBKUQFPQQNK-UHFFFAOYSA-N 0 1 299.418 2.532 20 10 CFCDMN CC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774835161 627969469 /nfs/dbraw/zinc/96/94/69/627969469.db2.gz YSVJPWXMLCXBBR-SECBINFHSA-N 0 1 268.313 2.539 20 10 CFCDMN COc1c([O-])c(C[N@@H+](CC2CC2)C(C)C)ccc1[N+](=O)[O-] ZINC000774837984 627969766 /nfs/dbraw/zinc/96/97/66/627969766.db2.gz GOTPKYYNXVRPOM-UHFFFAOYSA-N 0 1 294.351 2.929 20 10 CFCDMN C[C@@H](NCc1ccc(CO)o1)c1ccc(N(C)C)cc1 ZINC000775365131 628015503 /nfs/dbraw/zinc/01/55/03/628015503.db2.gz ULTBZERWIVROTO-GFCCVEGCSA-N 0 1 274.364 2.689 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000775492424 628031481 /nfs/dbraw/zinc/03/14/81/628031481.db2.gz NVTSZWAMJXCGAE-STQMWFEESA-N 0 1 296.798 2.755 20 10 CFCDMN CC[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000775493801 628031597 /nfs/dbraw/zinc/03/15/97/628031597.db2.gz VMEIJCGDVSOUQA-WCQYABFASA-N 0 1 285.771 2.502 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000775512901 628033026 /nfs/dbraw/zinc/03/30/26/628033026.db2.gz RYMHUCYAFTVBMG-STQMWFEESA-N 0 1 296.798 2.707 20 10 CFCDMN CC[C@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000775585651 628043261 /nfs/dbraw/zinc/04/32/61/628043261.db2.gz FTBODLZZYBYTRA-LBPRGKRZSA-N 0 1 284.787 2.565 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775686532 628055960 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CC(C)NC(=O)CN(C)Cc1ccc2ccccc2c1O ZINC000816482573 632469064 /nfs/dbraw/zinc/46/90/64/632469064.db2.gz KYDMTVCLRAURFS-UHFFFAOYSA-N 0 1 286.375 2.502 20 10 CFCDMN CN(Cc1cc(Cl)c(F)cc1O)CC(F)F ZINC000816497100 632471647 /nfs/dbraw/zinc/47/16/47/632471647.db2.gz MZBLQISUMAVTQZ-UHFFFAOYSA-N 0 1 253.651 2.882 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC(C)(C)O ZINC000816511762 632475752 /nfs/dbraw/zinc/47/57/52/632475752.db2.gz JXHNANVVCRJCHS-UHFFFAOYSA-N 0 1 259.349 2.748 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC(C)(C)O ZINC000816511762 632475754 /nfs/dbraw/zinc/47/57/54/632475754.db2.gz JXHNANVVCRJCHS-UHFFFAOYSA-N 0 1 259.349 2.748 20 10 CFCDMN CC[N@H+](CCCO)Cc1ccc2ccccc2c1[O-] ZINC000816515237 632477226 /nfs/dbraw/zinc/47/72/26/632477226.db2.gz SXNUOACKGLCYTP-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN CC[N@@H+](CCCO)Cc1ccc2ccccc2c1[O-] ZINC000816515237 632477230 /nfs/dbraw/zinc/47/72/30/632477230.db2.gz SXNUOACKGLCYTP-UHFFFAOYSA-N 0 1 259.349 2.750 20 10 CFCDMN CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552156 632483092 /nfs/dbraw/zinc/48/30/92/632483092.db2.gz CKRDZOCVHYJLAG-IAQYHMDHSA-N 0 1 291.416 2.747 20 10 CFCDMN CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552158 632483393 /nfs/dbraw/zinc/48/33/93/632483393.db2.gz CKRDZOCVHYJLAG-XHDPSFHLSA-N 0 1 291.416 2.747 20 10 CFCDMN CC(C)(CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558852 632483676 /nfs/dbraw/zinc/48/36/76/632483676.db2.gz NLEDGPHLDBCCGF-UHFFFAOYSA-N 0 1 259.349 2.654 20 10 CFCDMN Cn1ccc(CNCc2ccc3ccccc3c2O)n1 ZINC000816559913 632484007 /nfs/dbraw/zinc/48/40/07/632484007.db2.gz YWRQNEZYJYIZBY-UHFFFAOYSA-N 0 1 267.332 2.569 20 10 CFCDMN C[C@H]1CCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816563298 632485399 /nfs/dbraw/zinc/48/53/99/632485399.db2.gz SHRHGPMIXRGQQE-AWEZNQCLSA-N 0 1 284.403 2.977 20 10 CFCDMN C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816566944 632487059 /nfs/dbraw/zinc/48/70/59/632487059.db2.gz LYNTWHFNFISSPJ-NWDGAFQWSA-N 0 1 259.349 2.794 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C(N)=O)C1 ZINC000816574580 632487985 /nfs/dbraw/zinc/48/79/85/632487985.db2.gz MRUCXJCVMKPOME-BLLLJJGKSA-N 0 1 298.386 2.631 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H](C(N)=O)C1 ZINC000816574580 632487987 /nfs/dbraw/zinc/48/79/87/632487987.db2.gz MRUCXJCVMKPOME-BLLLJJGKSA-N 0 1 298.386 2.631 20 10 CFCDMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571719 632488048 /nfs/dbraw/zinc/48/80/48/632488048.db2.gz NTKIVWSRVKEYAA-NXEZZACHSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C[N@H+]1C ZINC000816571421 632488242 /nfs/dbraw/zinc/48/82/42/632488242.db2.gz CYFWUUIFKBQGMM-ZJUUUORDSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+]1C ZINC000816571722 632488257 /nfs/dbraw/zinc/48/82/57/632488257.db2.gz NTKIVWSRVKEYAA-ZJUUUORDSA-N 0 1 286.778 2.709 20 10 CFCDMN [O-]c1c(C[NH2+]CC2(CCO)CC2)ccc2ccccc21 ZINC000816575199 632489243 /nfs/dbraw/zinc/48/92/43/632489243.db2.gz GWTGWSYPHMGKDD-UHFFFAOYSA-N 0 1 271.360 2.798 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816589242 632490785 /nfs/dbraw/zinc/49/07/85/632490785.db2.gz PLQKTLYPSUEKDQ-WFASDCNBSA-N 0 1 299.370 2.929 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1C ZINC000816589242 632490787 /nfs/dbraw/zinc/49/07/87/632490787.db2.gz PLQKTLYPSUEKDQ-WFASDCNBSA-N 0 1 299.370 2.929 20 10 CFCDMN Cc1nccnc1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816651295 632504998 /nfs/dbraw/zinc/50/49/98/632504998.db2.gz BTBPETGYHQOAAC-UHFFFAOYSA-N 0 1 293.370 2.976 20 10 CFCDMN CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816660353 632506557 /nfs/dbraw/zinc/50/65/57/632506557.db2.gz AJGBPIVPZJYVQR-LBPRGKRZSA-N 0 1 286.778 2.711 20 10 CFCDMN COc1cccc(CN2CCOC[C@@H]2CC2CCC2)c1O ZINC000816667458 632508339 /nfs/dbraw/zinc/50/83/39/632508339.db2.gz NTPHIUYVTYMYAW-HNNXBMFYSA-N 0 1 291.391 2.792 20 10 CFCDMN COc1cccc(O)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666374 632508862 /nfs/dbraw/zinc/50/88/62/632508862.db2.gz LOLTWDHLFJVRJQ-IRXDYDNUSA-N 0 1 289.375 2.544 20 10 CFCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413251 632624694 /nfs/dbraw/zinc/62/46/94/632624694.db2.gz UWLZOERPYKOJTJ-NXEZZACHSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@@H](CCn1cccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055855 632625553 /nfs/dbraw/zinc/62/55/53/632625553.db2.gz QITFLKCPVXTFLB-NSHDSACASA-N 0 1 279.771 2.811 20 10 CFCDMN C[C@H](CO)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000846059118 632626583 /nfs/dbraw/zinc/62/65/83/632626583.db2.gz YPLZBLVBSBLUQW-LLVKDONJSA-N 0 1 283.799 2.886 20 10 CFCDMN CC[C@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)ccc1[O-] ZINC000846209741 632660911 /nfs/dbraw/zinc/66/09/11/632660911.db2.gz UCKJIUPZAKBSRM-PWSUYJOCSA-N 0 1 275.751 2.807 20 10 CFCDMN Cc1cc(NC(=O)c2c(F)ccc(O)c2O)nn1C(C)C ZINC000817770342 632709965 /nfs/dbraw/zinc/70/99/65/632709965.db2.gz AQRQLLPVLMEBBV-UHFFFAOYSA-N 0 1 293.298 2.575 20 10 CFCDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881470 632717351 /nfs/dbraw/zinc/71/73/51/632717351.db2.gz UNGVDTBIRIPWHJ-WCQYABFASA-N 0 1 294.370 2.577 20 10 CFCDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881468 632717602 /nfs/dbraw/zinc/71/76/02/632717602.db2.gz UNGVDTBIRIPWHJ-AAEUAGOBSA-N 0 1 294.370 2.577 20 10 CFCDMN C[C@H](NCC(F)(F)C[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817966651 632765653 /nfs/dbraw/zinc/76/56/53/632765653.db2.gz SLYNZCCPHKPAJZ-LURJTMIESA-N 0 1 299.148 2.944 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccc(Cl)c1[O-] ZINC000817979962 632776695 /nfs/dbraw/zinc/77/66/95/632776695.db2.gz QRDOXCMKXPYLNU-AUTRQRHGSA-N 0 1 256.777 2.822 20 10 CFCDMN CC[C@H](NCc1nn(CC)nc1C)c1ccc(C)cc1O ZINC000818345335 632833728 /nfs/dbraw/zinc/83/37/28/632833728.db2.gz KYHLWLCUAFSNCL-AWEZNQCLSA-N 0 1 288.395 2.861 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000818358362 632837069 /nfs/dbraw/zinc/83/70/69/632837069.db2.gz XNNJMGARBQNMLK-COLVAYQJSA-N 0 1 257.333 2.719 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000818357742 632837353 /nfs/dbraw/zinc/83/73/53/632837353.db2.gz KHFOXNLIRCMOQW-IJLUTSLNSA-N 0 1 289.297 2.975 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631589 632884589 /nfs/dbraw/zinc/88/45/89/632884589.db2.gz KDRXXAHJKKZZJC-ABAIWWIYSA-N 0 1 294.370 2.577 20 10 CFCDMN CN1CCCc2cc(CN[C@H]3CCCn4ccnc43)ccc21 ZINC000848526438 633277035 /nfs/dbraw/zinc/27/70/35/633277035.db2.gz XLQUSFRMSVHRNE-INIZCTEOSA-N 0 1 296.418 2.890 20 10 CFCDMN CN(C)c1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000850011354 633790591 /nfs/dbraw/zinc/79/05/91/633790591.db2.gz OLDYOGBNYCHFQT-UHFFFAOYSA-N 0 1 284.407 2.649 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)CC2CC2)c(Cl)c1 ZINC000850389449 633973677 /nfs/dbraw/zinc/97/36/77/633973677.db2.gz XJPLRKWERFXJGS-LBPRGKRZSA-N 0 1 283.799 2.852 20 10 CFCDMN CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccccc1O ZINC000850499855 634020141 /nfs/dbraw/zinc/02/01/41/634020141.db2.gz ZCPHUSUMKBATGB-WXHSDQCUSA-N 0 1 272.352 2.730 20 10 CFCDMN CC[C@@H](NCc1cn(CC)nn1)c1cc(Cl)ccc1O ZINC000850522715 634030505 /nfs/dbraw/zinc/03/05/05/634030505.db2.gz XOZXVEUNELMMRQ-CYBMUJFWSA-N 0 1 294.786 2.898 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000850530761 634037284 /nfs/dbraw/zinc/03/72/84/634037284.db2.gz CLFSRAWQASQCOU-WCBMZHEXSA-N 0 1 288.185 2.576 20 10 CFCDMN COc1ccnc(CN[C@@H](C)c2ccccc2O)c1F ZINC000850536272 634041518 /nfs/dbraw/zinc/04/15/18/634041518.db2.gz DHLYGQNFMOSGBB-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN COc1cc(CN2CCO[C@@](C)(C3CC3)C2)c(O)cc1C ZINC000853527365 635028621 /nfs/dbraw/zinc/02/86/21/635028621.db2.gz AREPNXYQHUBHLR-QGZVFWFLSA-N 0 1 291.391 2.710 20 10 CFCDMN O=C([O-])C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000854244732 635270521 /nfs/dbraw/zinc/27/05/21/635270521.db2.gz QOHFVOXKIOHHFT-UHFFFAOYSA-N 0 1 287.718 2.529 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cc(Cl)ccc1[O-] ZINC000857084560 635927223 /nfs/dbraw/zinc/92/72/23/635927223.db2.gz VLXICGKTUNCBPO-OCCSQVGLSA-N 0 1 296.798 2.707 20 10 CFCDMN CN(C)c1ccc(CNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000158640026 650232356 /nfs/dbraw/zinc/23/23/56/650232356.db2.gz YGWRQMADKWKKEK-UHFFFAOYSA-N 0 1 294.358 2.559 20 10 CFCDMN CCCN(CCC)c1ccc(CNCc2c[nH]nn2)cc1 ZINC000858198773 636154356 /nfs/dbraw/zinc/15/43/56/636154356.db2.gz RFBQBDBTFUZFFO-UHFFFAOYSA-N 0 1 287.411 2.721 20 10 CFCDMN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858471131 636258908 /nfs/dbraw/zinc/25/89/08/636258908.db2.gz BIBASXMUKWPSTM-JOYOIKCWSA-N 0 1 295.766 2.958 20 10 CFCDMN CC1(C)CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000159807197 650278865 /nfs/dbraw/zinc/27/88/65/650278865.db2.gz NNRXMOZFBOJXDW-UHFFFAOYSA-N 0 1 275.392 2.882 20 10 CFCDMN Cc1nc(C)c(CNCc2ccc(N(C)C)cc2C)o1 ZINC000862279413 637308866 /nfs/dbraw/zinc/30/88/66/637308866.db2.gz PJYNAOYNAGVBRQ-UHFFFAOYSA-N 0 1 273.380 2.956 20 10 CFCDMN CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C ZINC000862386163 637348159 /nfs/dbraw/zinc/34/81/59/637348159.db2.gz LOAIFRGJAMQUAB-BZNIZROVSA-N 0 1 298.377 2.888 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000862418672 637370824 /nfs/dbraw/zinc/37/08/24/637370824.db2.gz KLYWZMJMYOZCML-UWVGGRQHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000862418672 637370826 /nfs/dbraw/zinc/37/08/26/637370826.db2.gz KLYWZMJMYOZCML-UWVGGRQHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442151 637381606 /nfs/dbraw/zinc/38/16/06/637381606.db2.gz AYQWPNZBVKOHAT-AOOOYVTPSA-N 0 1 268.154 2.606 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442151 637381619 /nfs/dbraw/zinc/38/16/19/637381619.db2.gz AYQWPNZBVKOHAT-AOOOYVTPSA-N 0 1 268.154 2.606 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC1(C)COC1 ZINC000862477581 637395412 /nfs/dbraw/zinc/39/54/12/637395412.db2.gz MXJAGULRWONOPM-UHFFFAOYSA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1(C)COC1 ZINC000862479376 637395884 /nfs/dbraw/zinc/39/58/84/637395884.db2.gz LYAQIQPJJJKZFE-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528637 637408109 /nfs/dbraw/zinc/40/81/09/637408109.db2.gz DYXWEMZFZYFGIA-ZUZCIYMTSA-N 0 1 299.773 2.779 20 10 CFCDMN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000863484990 637675621 /nfs/dbraw/zinc/67/56/21/637675621.db2.gz RCZZVQQZYNHMFF-GZMMTYOYSA-N 0 1 289.206 2.929 20 10 CFCDMN Cc1cc(NCc2ccc(F)c(F)c2O)cc(C(N)=O)c1 ZINC000864038588 637839573 /nfs/dbraw/zinc/83/95/73/637839573.db2.gz WSGZFYKSQBZGPN-UHFFFAOYSA-N 0 1 292.285 2.690 20 10 CFCDMN CN(C)c1ccc(CN(C)Cc2ccc(F)nc2)cc1 ZINC000189277732 650371862 /nfs/dbraw/zinc/37/18/62/650371862.db2.gz BTBNCXMBYCKLQC-UHFFFAOYSA-N 0 1 273.355 2.919 20 10 CFCDMN COc1cnccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000189559279 650388998 /nfs/dbraw/zinc/38/89/98/650388998.db2.gz PQPWHLYEGBMZNV-GFCCVEGCSA-N 0 1 284.359 2.876 20 10 CFCDMN Cc1cccn2cc(CNCc3ccccc3O)nc12 ZINC000076894987 650409455 /nfs/dbraw/zinc/40/94/55/650409455.db2.gz NGHDMHCNMMLINN-UHFFFAOYSA-N 0 1 267.332 2.638 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865693275 638516815 /nfs/dbraw/zinc/51/68/15/638516815.db2.gz OUTBYDTYBGQQSS-OADFYJJDSA-N 0 1 279.767 2.559 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000865871796 638630864 /nfs/dbraw/zinc/63/08/64/638630864.db2.gz LYBACPQLZZURGT-GFCCVEGCSA-N 0 1 277.755 2.867 20 10 CFCDMN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442051 638821434 /nfs/dbraw/zinc/82/14/34/638821434.db2.gz CMRFIWAMGSGXHL-RDDDGLTNSA-N 0 1 279.714 2.712 20 10 CFCDMN Nc1ccc2c(c1)OCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000873219744 642073067 /nfs/dbraw/zinc/07/30/67/642073067.db2.gz NMYWNRDCFCVVHW-UHFFFAOYSA-N 0 1 288.322 2.508 20 10 CFCDMN Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000086755314 650797638 /nfs/dbraw/zinc/79/76/38/650797638.db2.gz HAAUMSUGKCNJII-CQSZACIVSA-N 0 1 277.364 2.920 20 10 CFCDMN CN(Cc1c2c(nn1C)CCCC2)Cc1ccccc1O ZINC000876616119 642946034 /nfs/dbraw/zinc/94/60/34/642946034.db2.gz SSJASWOKEAZIKQ-UHFFFAOYSA-N 0 1 285.391 2.637 20 10 CFCDMN CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876775362 643005307 /nfs/dbraw/zinc/00/53/07/643005307.db2.gz VNTBCJXHEVBBCU-LBPRGKRZSA-N 0 1 298.377 2.834 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc(F)c1F ZINC000876780448 643005453 /nfs/dbraw/zinc/00/54/53/643005453.db2.gz VYNHIYTYYREVJI-LBPRGKRZSA-N 0 1 297.345 2.919 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000876783176 643008052 /nfs/dbraw/zinc/00/80/52/643008052.db2.gz WDQZGRSQRCCTNO-CMPLNLGQSA-N 0 1 283.318 2.529 20 10 CFCDMN Oc1c(F)c(F)ccc1CNc1cnn(CC(F)F)c1 ZINC000876877765 643046100 /nfs/dbraw/zinc/04/61/00/643046100.db2.gz HLHCWZHAVOVGAX-UHFFFAOYSA-N 0 1 289.232 2.744 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(Cl)nn2)c1 ZINC000877532415 643336616 /nfs/dbraw/zinc/33/66/16/643336616.db2.gz FZIKGDJOWNKONX-SECBINFHSA-N 0 1 293.754 2.695 20 10 CFCDMN CCC[N@H+](CC)C[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877543057 643345556 /nfs/dbraw/zinc/34/55/56/643345556.db2.gz VXZVUPPUPCCWFH-NSHDSACASA-N 0 1 286.366 2.880 20 10 CFCDMN CCC[N@@H+](CC)C[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877543057 643345561 /nfs/dbraw/zinc/34/55/61/643345561.db2.gz VXZVUPPUPCCWFH-NSHDSACASA-N 0 1 286.366 2.880 20 10 CFCDMN OC[C@H]1CN(Cc2ccc(F)c(F)c2O)c2ccccc21 ZINC000877550742 643350717 /nfs/dbraw/zinc/35/07/17/643350717.db2.gz RKFLYTZXSKCAAZ-LLVKDONJSA-N 0 1 291.297 2.767 20 10 CFCDMN C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877558192 643358493 /nfs/dbraw/zinc/35/84/93/643358493.db2.gz ZTQWKIDYPSQFOL-ZDUSSCGKSA-N 0 1 259.271 2.994 20 10 CFCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877558192 643358498 /nfs/dbraw/zinc/35/84/98/643358498.db2.gz ZTQWKIDYPSQFOL-ZDUSSCGKSA-N 0 1 259.271 2.994 20 10 CFCDMN CS[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877563477 643362062 /nfs/dbraw/zinc/36/20/62/643362062.db2.gz OBFCLZVOZWKRLO-VIFPVBQESA-N 0 1 259.321 2.608 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C(C)(C)CN1CCCC1 ZINC000877593964 643386009 /nfs/dbraw/zinc/38/60/09/643386009.db2.gz KRPWAWRLOMWMPV-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C(C)(C)CN1CCCC1 ZINC000877593964 643386014 /nfs/dbraw/zinc/38/60/14/643386014.db2.gz KRPWAWRLOMWMPV-UHFFFAOYSA-N 0 1 298.377 2.977 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc(F)c1F ZINC000877596794 643389536 /nfs/dbraw/zinc/38/95/36/643389536.db2.gz TTZZSVMJZIDUOM-LLVKDONJSA-N 0 1 285.334 2.655 20 10 CFCDMN CN(C)c1ccc(CNC2(C)COC2)c(C(F)(F)F)c1 ZINC000877691169 643456584 /nfs/dbraw/zinc/45/65/84/643456584.db2.gz KAIXZJOUNHOEFZ-UHFFFAOYSA-N 0 1 288.313 2.650 20 10 CFCDMN Oc1cccc2c1CN(C[C@H]1CC1(Cl)Cl)C2 ZINC000877702778 643467487 /nfs/dbraw/zinc/46/74/87/643467487.db2.gz HJRLZCBMTJMDHM-SECBINFHSA-N 0 1 258.148 2.902 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CN2CCC1CC2 ZINC000877706246 643473609 /nfs/dbraw/zinc/47/36/09/643473609.db2.gz ITWHECXCHBJVBN-AWEZNQCLSA-N 0 1 298.789 2.711 20 10 CFCDMN CCc1cccc(CNCc2nn(C)cc2C(F)F)c1O ZINC000877733274 643493170 /nfs/dbraw/zinc/49/31/70/643493170.db2.gz QKVOEQWCQBPGED-UHFFFAOYSA-N 0 1 295.333 2.916 20 10 CFCDMN C[N@@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]21 ZINC000877740170 643507797 /nfs/dbraw/zinc/50/77/97/643507797.db2.gz IVVOZZJZSZPXOE-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]21 ZINC000877740170 643507804 /nfs/dbraw/zinc/50/78/04/643507804.db2.gz IVVOZZJZSZPXOE-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]21 ZINC000877741043 643509599 /nfs/dbraw/zinc/50/95/99/643509599.db2.gz MGEHJIJPRHYAHV-MFKMUULPSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@H](NCc1cn(C)nc1Cl)c1ccccc1O ZINC000877758012 643538861 /nfs/dbraw/zinc/53/88/61/643538861.db2.gz CWEGZJXPSTWQTM-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877836482 643604207 /nfs/dbraw/zinc/60/42/07/643604207.db2.gz YKOIDEGYHQPIGI-SNVBAGLBSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H](NCc1cc(Cl)n(C)n1)c1ccccc1O ZINC000879650142 644364620 /nfs/dbraw/zinc/36/46/20/644364620.db2.gz LJPTXKFKKIWZIP-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CN(C)c1ccc(CNCc2nc3c(s2)CCC3)cc1 ZINC000093053571 650931475 /nfs/dbraw/zinc/93/14/75/650931475.db2.gz PQWLBVJARTXMSB-UHFFFAOYSA-N 0 1 287.432 2.988 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000131156955 645638751 /nfs/dbraw/zinc/63/87/51/645638751.db2.gz UXZZLOURBGITGN-YPMHNXCESA-N 0 1 257.333 2.985 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000304689035 651030245 /nfs/dbraw/zinc/03/02/45/651030245.db2.gz ZMPAEZJHRGILDD-SECBINFHSA-N 0 1 288.185 2.621 20 10 CFCDMN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000883354976 645759979 /nfs/dbraw/zinc/75/99/79/645759979.db2.gz GCQWFRMRPVFOQU-CMPLNLGQSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000132667355 645947969 /nfs/dbraw/zinc/94/79/69/645947969.db2.gz OUTQTWIPUVWBHU-VIFPVBQESA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000132667355 645947974 /nfs/dbraw/zinc/94/79/74/645947974.db2.gz OUTQTWIPUVWBHU-VIFPVBQESA-N 0 1 270.170 2.997 20 10 CFCDMN CC[N@@H+](CCN[C@@H](C)c1c(O)cccc1F)C(C)C ZINC000886520998 647026599 /nfs/dbraw/zinc/02/65/99/647026599.db2.gz ROEMCFAPCPVQNP-LBPRGKRZSA-N 0 1 268.376 2.912 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000886670630 647101853 /nfs/dbraw/zinc/10/18/53/647101853.db2.gz STMWRRYPFLNOBT-CYZMBNFOSA-N 0 1 299.798 2.626 20 10 CFCDMN C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927079862 648701822 /nfs/dbraw/zinc/70/18/22/648701822.db2.gz GMZAZOQJPJDZOH-CMPLNLGQSA-N 0 1 285.771 2.502 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2snnc2C)c1 ZINC000930216990 649208058 /nfs/dbraw/zinc/20/80/58/649208058.db2.gz QDLVCJOSEWXVCG-DTWKUNHWSA-N 0 1 293.392 2.973 20 10 CFCDMN CCN(C)c1ccc(CN2Cc3c[nH]nc3[C@H](C)C2)cc1 ZINC000931460177 649431612 /nfs/dbraw/zinc/43/16/12/649431612.db2.gz FEOUYZONMCJKBW-CYBMUJFWSA-N 0 1 284.407 2.985 20 10 CFCDMN CCN(Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CC[NH2+]C1 ZINC001235970847 778633245 /nfs/dbraw/zinc/63/32/45/778633245.db2.gz OCMPLFMLAYDQLV-LLVKDONJSA-N 0 1 288.313 2.595 20 10 CFCDMN COCCC[N@@H+](C)Cc1ccc(Br)cc1O ZINC000700928463 780743117 /nfs/dbraw/zinc/74/31/17/780743117.db2.gz NBUCTHFGHNJZDA-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN COCCC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700928463 780743120 /nfs/dbraw/zinc/74/31/20/780743120.db2.gz NBUCTHFGHNJZDA-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN COCCC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700928463 780743124 /nfs/dbraw/zinc/74/31/24/780743124.db2.gz NBUCTHFGHNJZDA-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN COCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706883667 781211908 /nfs/dbraw/zinc/21/19/08/781211908.db2.gz UOBXQRBQINEGPO-UHFFFAOYSA-N 0 1 288.185 2.671 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690730318 770807068 /nfs/dbraw/zinc/80/70/68/770807068.db2.gz OPULENJEXLLJEX-LLVKDONJSA-N 0 1 277.698 2.559 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293895887 775339089 /nfs/dbraw/zinc/33/90/89/775339089.db2.gz DZGHURLWNHOLKT-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN COc1cc(Cl)cc(CN2CCC[C@@H]3COC[C@@H]32)c1O ZINC000690781346 775346152 /nfs/dbraw/zinc/34/61/52/775346152.db2.gz MNTSDOPHTNGQAD-MFKMUULPSA-N 0 1 297.782 2.665 20 10 CFCDMN CO[C@@H](C)C1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926678 775656254 /nfs/dbraw/zinc/65/62/54/775656254.db2.gz PQFUDYRLHXNKRU-NSHDSACASA-N 0 1 282.815 2.873 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1SCCS1 ZINC000692875678 776470239 /nfs/dbraw/zinc/47/02/39/776470239.db2.gz WDIMGMJAVJRABW-UHFFFAOYSA-N 0 1 275.826 2.941 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446489 777220519 /nfs/dbraw/zinc/22/05/19/777220519.db2.gz JNYINGBJEOVWGH-LLVKDONJSA-N 0 1 263.337 2.712 20 10 CFCDMN CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CC1 ZINC001231449429 777220927 /nfs/dbraw/zinc/22/09/27/777220927.db2.gz ZSRHGYSBSUDINF-UHFFFAOYSA-N 0 1 263.337 2.712 20 10 CFCDMN Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231447846 777221103 /nfs/dbraw/zinc/22/11/03/777221103.db2.gz WZELPVURRIKSBM-UHFFFAOYSA-N 0 1 297.354 2.957 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC001231560318 777259889 /nfs/dbraw/zinc/25/98/89/777259889.db2.gz GKRLHYPEDMQQIM-UHFFFAOYSA-N 0 1 285.290 2.712 20 10 CFCDMN C[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560751 777259939 /nfs/dbraw/zinc/25/99/39/777259939.db2.gz LMRLCTFNEDOSNQ-NSHDSACASA-N 0 1 263.337 2.712 20 10 CFCDMN O=C1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC001231588870 777268814 /nfs/dbraw/zinc/26/88/14/777268814.db2.gz XLPIPOSYVMBROD-UHFFFAOYSA-N 0 1 255.317 2.710 20 10 CFCDMN Cc1cc(C)c(CN2CCO[C@H](c3ccccn3)C2)c(O)c1 ZINC001231845567 777346597 /nfs/dbraw/zinc/34/65/97/777346597.db2.gz ASQYUTMGOLWQQN-SFHVURJKSA-N 0 1 298.386 2.978 20 10 CFCDMN CCOC(=O)[C@@H]1CCCN1Cc1c(C)cc(C)cc1O ZINC001231846746 777348616 /nfs/dbraw/zinc/34/86/16/777348616.db2.gz OINFJLPNOXNEMI-AWEZNQCLSA-N 0 1 277.364 2.537 20 10 CFCDMN COc1cc(N(C)C)ccc1CN1CCC[C@@H](C(C)=O)C1 ZINC001231854693 777352346 /nfs/dbraw/zinc/35/23/46/777352346.db2.gz KQJODVRHCHFMQL-CQSZACIVSA-N 0 1 290.407 2.562 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)cc1Cl ZINC001231867748 777357503 /nfs/dbraw/zinc/35/75/03/777357503.db2.gz NNCZMYLTZIMPLN-STQMWFEESA-N 0 1 287.762 2.649 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cc1Cl ZINC001231867748 777357509 /nfs/dbraw/zinc/35/75/09/777357509.db2.gz NNCZMYLTZIMPLN-STQMWFEESA-N 0 1 287.762 2.649 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1Cl ZINC001231868714 777357554 /nfs/dbraw/zinc/35/75/54/777357554.db2.gz 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C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231910352 777380461 /nfs/dbraw/zinc/38/04/61/777380461.db2.gz MIEFUGIMAOXSSL-HZMBPMFUSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1cc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232258496 777496627 /nfs/dbraw/zinc/49/66/27/777496627.db2.gz AEOLPNKKKPLKMA-UWVGGRQHSA-N 0 1 267.756 2.983 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001232265932 777499277 /nfs/dbraw/zinc/49/92/77/777499277.db2.gz HJKLAJWJYAKEIR-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001232265932 777499282 /nfs/dbraw/zinc/49/92/82/777499282.db2.gz HJKLAJWJYAKEIR-HNNXBMFYSA-N 0 1 297.782 2.809 20 10 CFCDMN COc1cc([O-])c(C[N@H+](C)CC2CCOCC2)cc1Cl ZINC001232267157 777499512 /nfs/dbraw/zinc/49/95/12/777499512.db2.gz YBJCIMFERVRIMF-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN COc1cc([O-])c(C[N@@H+](C)CC2CCOCC2)cc1Cl ZINC001232267157 777499513 /nfs/dbraw/zinc/49/95/13/777499513.db2.gz YBJCIMFERVRIMF-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN CC[N@@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233026689 777770358 /nfs/dbraw/zinc/77/03/58/777770358.db2.gz CSWBGWJWMJJMTF-UHFFFAOYSA-N 0 1 262.122 2.746 20 10 CFCDMN C[C@@]1(CF)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074344 777787510 /nfs/dbraw/zinc/78/75/10/777787510.db2.gz NWFAQJAUXSMJAQ-ZDUSSCGKSA-N 0 1 259.271 2.852 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCc3ncccc3C2)ccc(F)c1F ZINC001233077283 777788784 /nfs/dbraw/zinc/78/87/84/777788784.db2.gz HTDOYCCECZGPGP-UHFFFAOYSA-N 0 1 276.286 2.624 20 10 CFCDMN [O-]c1c(C[N@H+]2CCc3ncccc3C2)ccc(F)c1F ZINC001233077283 777788793 /nfs/dbraw/zinc/78/87/93/777788793.db2.gz HTDOYCCECZGPGP-UHFFFAOYSA-N 0 1 276.286 2.624 20 10 CFCDMN COc1cc(Cl)cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001233287988 777868925 /nfs/dbraw/zinc/86/89/25/777868925.db2.gz QPUUYERFEBXLEG-TXEJJXNPSA-N 0 1 295.766 2.750 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c1O ZINC001233288099 777869369 /nfs/dbraw/zinc/86/93/69/777869369.db2.gz WGAQWUYQPLBRJI-WDEREUQCSA-N 0 1 299.798 2.647 20 10 CFCDMN [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001233332214 777889309 /nfs/dbraw/zinc/88/93/09/777889309.db2.gz CMSBBESBSPMNPU-APPZFPTMSA-N 0 1 275.245 2.757 20 10 CFCDMN CC(C)[N@H+](C)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335654 777897342 /nfs/dbraw/zinc/89/73/42/777897342.db2.gz FNBIANJGPTYTIZ-LLVKDONJSA-N 0 1 284.350 2.585 20 10 CFCDMN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335654 777897352 /nfs/dbraw/zinc/89/73/52/777897352.db2.gz FNBIANJGPTYTIZ-LLVKDONJSA-N 0 1 284.350 2.585 20 10 CFCDMN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])CC1(C)COC1 ZINC001233418827 777943443 /nfs/dbraw/zinc/94/34/43/777943443.db2.gz XSLRHDQQZZLXDY-UHFFFAOYSA-N 0 1 289.297 2.879 20 10 CFCDMN C[C@H]1COCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452023 777957303 /nfs/dbraw/zinc/95/73/03/777957303.db2.gz HVGHLYGYBMXURW-SNVBAGLBSA-N 0 1 289.297 2.879 20 10 CFCDMN C[C@H]1COCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452023 777957310 /nfs/dbraw/zinc/95/73/10/777957310.db2.gz HVGHLYGYBMXURW-SNVBAGLBSA-N 0 1 289.297 2.879 20 10 CFCDMN Oc1cc(C(F)(F)F)ccc1CN1CC[C@@H](F)C1 ZINC001233452280 777958169 /nfs/dbraw/zinc/95/81/69/777958169.db2.gz QHRGIPMWLUMLLB-SNVBAGLBSA-N 0 1 263.234 2.955 20 10 CFCDMN COc1ccc2ccc(O)c(CN(C)CC(C)=O)c2c1 ZINC001234525097 778243515 /nfs/dbraw/zinc/24/35/15/778243515.db2.gz ARLBPNZKZFOCDT-UHFFFAOYSA-N 0 1 273.332 2.575 20 10 CFCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520180 778398805 /nfs/dbraw/zinc/39/88/05/778398805.db2.gz CRUZOHOCBWBCMO-RSAASHCRSA-N 0 1 297.345 2.917 20 10 CFCDMN [O-]c1ccc(F)c(F)c1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176738 778404528 /nfs/dbraw/zinc/40/45/28/778404528.db2.gz FKKMLGYYSMTTGI-INIZCTEOSA-N 0 1 296.361 2.779 20 10 CFCDMN Oc1cccc2c1CN(Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235695639 778540088 /nfs/dbraw/zinc/54/00/88/778540088.db2.gz QKSRJYASIYUFII-UHFFFAOYSA-N 0 1 297.333 2.966 20 10 CFCDMN CCN(Cc1c([O-])cc(OC)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236011223 778654201 /nfs/dbraw/zinc/65/42/01/778654201.db2.gz VTUVDEGNCSIQCG-NSHDSACASA-N 0 1 298.814 2.628 20 10 CFCDMN C[C@H]1C[C@H]([NH3+])CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001236052680 778669889 /nfs/dbraw/zinc/66/98/89/778669889.db2.gz ULWVFPKAOBOWNO-IUCAKERBSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCC[NH2+]1 ZINC001236100336 778692767 /nfs/dbraw/zinc/69/27/67/778692767.db2.gz FGQOFNCFZBDMRD-VIFPVBQESA-N 0 1 289.206 2.883 20 10 CFCDMN CN[C@@H]1CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236168960 778723292 /nfs/dbraw/zinc/72/32/92/778723292.db2.gz XQEJPQLKGBXNNX-KRWDZBQOSA-N 0 1 286.350 2.950 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1Cl ZINC001231868067 778876762 /nfs/dbraw/zinc/87/67/62/778876762.db2.gz QAISPZAGKFOKPT-IAQYHMDHSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1Cl ZINC001231868067 778876767 /nfs/dbraw/zinc/87/67/67/778876767.db2.gz QAISPZAGKFOKPT-IAQYHMDHSA-N 0 1 283.799 2.947 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(Cl)c1 ZINC001236800476 778943208 /nfs/dbraw/zinc/94/32/08/778943208.db2.gz ZLCSADAUYLSJMF-QMTHXVAHSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(Cl)c1 ZINC001236800476 778943211 /nfs/dbraw/zinc/94/32/11/778943211.db2.gz ZLCSADAUYLSJMF-QMTHXVAHSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1Cl ZINC001236800739 778943691 /nfs/dbraw/zinc/94/36/91/778943691.db2.gz FCZYUDOBYYBLBN-ZYHUDNBSSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1Cl ZINC001236802066 778944559 /nfs/dbraw/zinc/94/45/59/778944559.db2.gz NQNVQDVTNBMYDU-PWSUYJOCSA-N 0 1 299.798 2.647 20 10 CFCDMN COc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c([O-])c1Cl ZINC001236802002 778945105 /nfs/dbraw/zinc/94/51/05/778945105.db2.gz MKJIPMKPRRMXTA-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1Cl ZINC001236802205 778945209 /nfs/dbraw/zinc/94/52/09/778945209.db2.gz OZIMMHNUERXLQP-MFKMUULPSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001236807235 778946324 /nfs/dbraw/zinc/94/63/24/778946324.db2.gz DZLVGMFIUPLLSZ-DYVFJYSZSA-N 0 1 293.407 2.692 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001236808148 778948133 /nfs/dbraw/zinc/94/81/33/778948133.db2.gz OHKJNZNGVYFVSU-CXAGYDPISA-N 0 1 291.391 2.710 20 10 CFCDMN CC[N@H+]1CCN(Cc2ccc(OC)c(Cl)c2[O-])[C@H](C)C1 ZINC001236818570 778952699 /nfs/dbraw/zinc/95/26/99/778952699.db2.gz ONZFHLNCMBERJK-LLVKDONJSA-N 0 1 298.814 2.580 20 10 CFCDMN COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001236821804 778953367 /nfs/dbraw/zinc/95/33/67/778953367.db2.gz UHQHYHAMYDOGSK-KRWDZBQOSA-N 0 1 291.391 2.712 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236827455 778955222 /nfs/dbraw/zinc/95/52/22/778955222.db2.gz SHUMDVKZEYGQID-GFCCVEGCSA-N 0 1 269.344 2.956 20 10 CFCDMN C[C@@H]1CN(Cc2cc3ccccc3cc2O)CCC1=O ZINC001236827455 778955225 /nfs/dbraw/zinc/95/52/25/778955225.db2.gz SHUMDVKZEYGQID-GFCCVEGCSA-N 0 1 269.344 2.956 20 10 CFCDMN C[C@]1(CO)CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236826763 778955365 /nfs/dbraw/zinc/95/53/65/778955365.db2.gz MLMRXNRMKTWIRU-KRWDZBQOSA-N 0 1 271.360 2.750 20 10 CFCDMN C[C@H]1CN(Cc2cc3ccccc3cc2O)CCC1=O ZINC001236827458 778956636 /nfs/dbraw/zinc/95/66/36/778956636.db2.gz SHUMDVKZEYGQID-LBPRGKRZSA-N 0 1 269.344 2.956 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236835089 778959216 /nfs/dbraw/zinc/95/92/16/778959216.db2.gz HWILNECDLSXMRY-SFHVURJKSA-N 0 1 299.370 2.930 20 10 CFCDMN CN(Cc1cc2ccccc2cc1O)[C@@H]1CC[N@@H+](C)C1 ZINC001236835430 778959263 /nfs/dbraw/zinc/95/92/63/778959263.db2.gz KZWQNUPOMRCOTN-MRXNPFEDSA-N 0 1 270.376 2.681 20 10 CFCDMN Cn1ncc2c1CN(Cc1cc3ccccc3cc1O)CC2 ZINC001236838155 778962065 /nfs/dbraw/zinc/96/20/65/778962065.db2.gz WKIODJFQMTWEML-UHFFFAOYSA-N 0 1 293.370 2.837 20 10 CFCDMN COC(=O)[C@@H]1CCCN1Cc1ccc(C(C)C)cc1O ZINC001237045970 778997360 /nfs/dbraw/zinc/99/73/60/778997360.db2.gz NVTGUUQKNFNQOM-AWEZNQCLSA-N 0 1 277.364 2.653 20 10 CFCDMN CC(C)c1ccc(CN(C)Cc2cnn(C)c2)c(O)c1 ZINC001237045998 778997616 /nfs/dbraw/zinc/99/76/16/778997616.db2.gz OXYIOUIPQJCWMG-UHFFFAOYSA-N 0 1 273.380 2.881 20 10 CFCDMN CN(CCF)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062133 779001634 /nfs/dbraw/zinc/00/16/34/779001634.db2.gz KJNSFVNKXSKOQW-UHFFFAOYSA-N 0 1 281.249 2.735 20 10 CFCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]1CO ZINC001237122010 779017922 /nfs/dbraw/zinc/01/79/22/779017922.db2.gz QRQDMFDEHFEQPQ-BXKDBHETSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]1CO ZINC001237122010 779017927 /nfs/dbraw/zinc/01/79/27/779017927.db2.gz QRQDMFDEHFEQPQ-BXKDBHETSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237127406 779021398 /nfs/dbraw/zinc/02/13/98/779021398.db2.gz ZOOGASIWSFDGPY-LLVKDONJSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001237127406 779021407 /nfs/dbraw/zinc/02/14/07/779021407.db2.gz ZOOGASIWSFDGPY-LLVKDONJSA-N 0 1 298.789 2.855 20 10 CFCDMN CC[NH+](CC)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335105 779033735 /nfs/dbraw/zinc/03/37/35/779033735.db2.gz HILIBMAQMCQAKT-NSHDSACASA-N 0 1 284.350 2.587 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001237616874 779144839 /nfs/dbraw/zinc/14/48/39/779144839.db2.gz IXBIUEIPNWSGEJ-NXEZZACHSA-N 0 1 265.662 2.677 20 10 CFCDMN CCCOC1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237620215 779146280 /nfs/dbraw/zinc/14/62/80/779146280.db2.gz KLLPUQNJHZHPEI-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCSCC1 ZINC001237798551 779180089 /nfs/dbraw/zinc/18/00/89/779180089.db2.gz ADAHGUDCKIIFLI-UHFFFAOYSA-N 0 1 261.749 2.734 20 10 CFCDMN CCOC(=O)CN(CC)Cc1cc(F)cc(Cl)c1O ZINC001237805258 779183506 /nfs/dbraw/zinc/18/35/06/779183506.db2.gz KQXLWLPVYPJLME-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237808055 779184192 /nfs/dbraw/zinc/18/41/92/779184192.db2.gz POXYXRXWAMJSKH-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809201 779186180 /nfs/dbraw/zinc/18/61/80/779186180.db2.gz ZZKOMHMKXUBYKG-VHSXEESVSA-N 0 1 287.762 2.778 20 10 CFCDMN CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000388279116 779201256 /nfs/dbraw/zinc/20/12/56/779201256.db2.gz KGTTWDMOTQMUFX-YMTOWFKASA-N 0 1 269.772 2.949 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933459 779209543 /nfs/dbraw/zinc/20/95/43/779209543.db2.gz CCMBRSUVYCYIFE-SCZZXKLOSA-N 0 1 273.735 2.530 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001237934576 779210681 /nfs/dbraw/zinc/21/06/81/779210681.db2.gz KZOLHRVHKOAFIU-SNVBAGLBSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(F)c(Cl)cc1O ZINC001237938680 779211338 /nfs/dbraw/zinc/21/13/38/779211338.db2.gz MSZPWRQEFUSLMB-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938680 779211340 /nfs/dbraw/zinc/21/13/40/779211340.db2.gz MSZPWRQEFUSLMB-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237938680 779211342 /nfs/dbraw/zinc/21/13/42/779211342.db2.gz MSZPWRQEFUSLMB-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237940206 779211682 /nfs/dbraw/zinc/21/16/82/779211682.db2.gz IUXFHLOODCKWGI-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237940206 779211686 /nfs/dbraw/zinc/21/16/86/779211686.db2.gz IUXFHLOODCKWGI-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237940206 779211689 /nfs/dbraw/zinc/21/16/89/779211689.db2.gz IUXFHLOODCKWGI-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CC(C)[NH+]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940132 779212238 /nfs/dbraw/zinc/21/22/38/779212238.db2.gz BQSISCRODYOGCU-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H](C)[N@@H+]1C ZINC001237948605 779214843 /nfs/dbraw/zinc/21/48/43/779214843.db2.gz FJEVXLDVUQQYEX-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](C)[N@H+]1C ZINC001237948605 779214849 /nfs/dbraw/zinc/21/48/49/779214849.db2.gz FJEVXLDVUQQYEX-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](C)[N@@H+]1C ZINC001237948605 779214851 /nfs/dbraw/zinc/21/48/51/779214851.db2.gz FJEVXLDVUQQYEX-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237948614 779215072 /nfs/dbraw/zinc/21/50/72/779215072.db2.gz FNODBEYZBYVNNN-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@@H]2C1 ZINC001237948614 779215076 /nfs/dbraw/zinc/21/50/76/779215076.db2.gz FNODBEYZBYVNNN-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(F)c(Cl)cc3[O-])[C@@H]2C1 ZINC001237948614 779215081 /nfs/dbraw/zinc/21/50/81/779215081.db2.gz FNODBEYZBYVNNN-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1noc([C@@H]2CC[N@@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238070837 779247280 /nfs/dbraw/zinc/24/72/80/779247280.db2.gz PYBZSFVDDDIVEX-LLVKDONJSA-N 0 1 291.326 2.521 20 10 CFCDMN CCc1n[nH]cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001237653772 779704045 /nfs/dbraw/zinc/70/40/45/779704045.db2.gz PJRLKLOGMIMTLT-UHFFFAOYSA-N 0 1 272.396 2.670 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(C)(C)O)c1[O-] ZINC000382849682 780560310 /nfs/dbraw/zinc/56/03/10/780560310.db2.gz IXGJTDBEXUMMJT-SNVBAGLBSA-N 0 1 299.798 2.839 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C(C)(C)O)c1[O-] ZINC000382849682 780560316 /nfs/dbraw/zinc/56/03/16/780560316.db2.gz IXGJTDBEXUMMJT-SNVBAGLBSA-N 0 1 299.798 2.839 20 10 CFCDMN CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701662561 780822442 /nfs/dbraw/zinc/82/24/42/780822442.db2.gz XAZWHHLNEWUMNL-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701662561 780822453 /nfs/dbraw/zinc/82/24/53/780822453.db2.gz XAZWHHLNEWUMNL-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000703518035 781018813 /nfs/dbraw/zinc/01/88/13/781018813.db2.gz ONIBFMFAWWFGEH-NSHDSACASA-N 0 1 271.307 2.671 20 10 CFCDMN CC1(O)CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000703526205 781025116 /nfs/dbraw/zinc/02/51/16/781025116.db2.gz QNUBABXXGBJHRO-UHFFFAOYSA-N 0 1 269.772 2.829 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CC(C)(C)O1 ZINC000703544315 781025273 /nfs/dbraw/zinc/02/52/73/781025273.db2.gz YYHUTJWSRWEYPQ-SECBINFHSA-N 0 1 271.307 2.670 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC(C)(C)O1 ZINC000703544315 781025278 /nfs/dbraw/zinc/02/52/78/781025278.db2.gz YYHUTJWSRWEYPQ-SECBINFHSA-N 0 1 271.307 2.670 20 10 CFCDMN CCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837456 781140108 /nfs/dbraw/zinc/14/01/08/781140108.db2.gz HUHBBXMKIPPWSI-NSHDSACASA-N 0 1 253.317 2.532 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3C[C@H]32)c1[O-] ZINC000707052215 781221945 /nfs/dbraw/zinc/22/19/45/781221945.db2.gz GRKRXLZJUHSMKZ-TVQRCGJNSA-N 0 1 265.740 2.842 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[C@H]32)c1O ZINC000707052215 781221952 /nfs/dbraw/zinc/22/19/52/781221952.db2.gz GRKRXLZJUHSMKZ-TVQRCGJNSA-N 0 1 265.740 2.842 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707094771 781223332 /nfs/dbraw/zinc/22/33/32/781223332.db2.gz UCHHTUWMPNOHBY-CQSZACIVSA-N 0 1 267.756 2.658 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707094771 781223335 /nfs/dbraw/zinc/22/33/35/781223335.db2.gz UCHHTUWMPNOHBY-CQSZACIVSA-N 0 1 267.756 2.658 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000708414359 781273274 /nfs/dbraw/zinc/27/32/74/781273274.db2.gz RIOFNFPNZGTFPV-CABZTGNLSA-N 0 1 271.307 2.670 20 10 CFCDMN Cc1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1O ZINC000143368190 347936640 /nfs/dbraw/zinc/93/66/40/347936640.db2.gz VDYOEGIQXWBPKN-UHFFFAOYSA-N 0 1 295.386 2.926 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000294892494 283297136 /nfs/dbraw/zinc/29/71/36/283297136.db2.gz GKVPZNMFMFJGIS-CQSZACIVSA-N 0 1 290.407 2.521 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCNC(=O)CC1 ZINC000294892494 283297137 /nfs/dbraw/zinc/29/71/37/283297137.db2.gz GKVPZNMFMFJGIS-CQSZACIVSA-N 0 1 290.407 2.521 20 10 CFCDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093481520 375252856 /nfs/dbraw/zinc/25/28/56/375252856.db2.gz HEMCAMWFSFNHEN-MRVPVSSYSA-N 0 1 278.179 2.902 20 10 CFCDMN COc1cccc(CN2CCOC[C@H]2CC(C)C)c1O ZINC000093340231 375217696 /nfs/dbraw/zinc/21/76/96/375217696.db2.gz QVJVYBRWKPDNRS-CQSZACIVSA-N 0 1 279.380 2.648 20 10 CFCDMN Oc1c(Cl)cccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000124582987 377065023 /nfs/dbraw/zinc/06/50/23/377065023.db2.gz BWBOPVZJGZMJHJ-ZDUSSCGKSA-N 0 1 280.799 2.716 20 10 CFCDMN C[C@@H](O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000130415844 377553957 /nfs/dbraw/zinc/55/39/57/377553957.db2.gz NFMJMBNYBSYJGJ-SNVBAGLBSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134921225 378064254 /nfs/dbraw/zinc/06/42/54/378064254.db2.gz MJXGZRUNNDRHBE-BDAKNGLRSA-N 0 1 288.185 2.576 20 10 CFCDMN COC[C@@H](NCc1cccc(OC)c1O)c1ccc(C)o1 ZINC000177567000 380354494 /nfs/dbraw/zinc/35/44/94/380354494.db2.gz BHJAUTSTVCCCRO-CYBMUJFWSA-N 0 1 291.347 2.780 20 10 CFCDMN COC(=O)[C@H]1CCCCN1Cc1cccc(Cl)c1O ZINC000179631978 380564758 /nfs/dbraw/zinc/56/47/58/380564758.db2.gz YNWGSJLTLPZXFM-GFCCVEGCSA-N 0 1 283.755 2.573 20 10 CFCDMN C[C@H](NCc1nnc2n1CCCCC2)c1ccccc1O ZINC000179877613 380592393 /nfs/dbraw/zinc/59/23/93/380592393.db2.gz YVXIZMHKMZZIRN-LBPRGKRZSA-N 0 1 286.379 2.561 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000179987060 380607117 /nfs/dbraw/zinc/60/71/17/380607117.db2.gz JRLDTDGNQLBGBA-GXFFZTMASA-N 0 1 253.317 2.531 20 10 CFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1O ZINC000296040730 381226320 /nfs/dbraw/zinc/22/63/20/381226320.db2.gz UHGJTPYKBZVVBZ-RLAWYHOSSA-N 0 1 260.381 2.668 20 10 CFCDMN CCc1nc(CNCc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000296089118 381250476 /nfs/dbraw/zinc/25/04/76/381250476.db2.gz RCMUNTHTBURMIZ-UHFFFAOYSA-N 0 1 299.422 2.647 20 10 CFCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)n[nH]1 ZINC000183621638 381295058 /nfs/dbraw/zinc/29/50/58/381295058.db2.gz ANEPZKSBWRDJBH-CMPLNLGQSA-N 0 1 259.353 2.706 20 10 CFCDMN Cc1ccc([C@@H](C)NCc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000296352836 381358090 /nfs/dbraw/zinc/35/80/90/381358090.db2.gz IIVZUJILIBKNHJ-SNVBAGLBSA-N 0 1 272.352 2.547 20 10 CFCDMN CN(C)c1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000184513106 381426621 /nfs/dbraw/zinc/42/66/21/381426621.db2.gz TVJBJKFVRUTPHM-OAHLLOKOSA-N 0 1 274.364 2.559 20 10 CFCDMN CCn1ccnc1CN[C@H](C)c1cc(F)ccc1O ZINC000296488582 381418573 /nfs/dbraw/zinc/41/85/73/381418573.db2.gz OOROTQCVNWLIIE-SNVBAGLBSA-N 0 1 263.316 2.599 20 10 CFCDMN CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184981328 381505938 /nfs/dbraw/zinc/50/59/38/381505938.db2.gz VAOCXXHZTGOJJM-JTQLQIEISA-N 0 1 284.787 2.611 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000185141658 381544665 /nfs/dbraw/zinc/54/46/65/381544665.db2.gz RWZDYFLWIYEPHS-ZYHUDNBSSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000185141639 381545417 /nfs/dbraw/zinc/54/54/17/381545417.db2.gz RWZDYFLWIYEPHS-CMPLNLGQSA-N 0 1 268.788 2.790 20 10 CFCDMN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185389248 381620731 /nfs/dbraw/zinc/62/07/31/381620731.db2.gz AFWOJCRCGBIPEV-ZANVPECISA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1[O-] ZINC000185441651 381634523 /nfs/dbraw/zinc/63/45/23/381634523.db2.gz JWOZFBZWPZECOH-SECBINFHSA-N 0 1 255.745 2.733 20 10 CFCDMN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000371556211 381658753 /nfs/dbraw/zinc/65/87/53/381658753.db2.gz WZCGXPRFOCBZNT-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000371556211 381658759 /nfs/dbraw/zinc/65/87/59/381658759.db2.gz WZCGXPRFOCBZNT-FZMZJTMJSA-N 0 1 280.799 2.572 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCC[C@H]1c1ncon1 ZINC000362046198 381885029 /nfs/dbraw/zinc/88/50/29/381885029.db2.gz NMFLNHZVEBCTKG-NSHDSACASA-N 0 1 279.727 2.766 20 10 CFCDMN Cc1c([C@@H]2CCC[N@H+]2Cc2ccccc2O)cnn1C ZINC000373153563 381937468 /nfs/dbraw/zinc/93/74/68/381937468.db2.gz MKJQJIVALMRUOG-HNNXBMFYSA-N 0 1 271.364 2.771 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375289912 382075267 /nfs/dbraw/zinc/07/52/67/382075267.db2.gz YSJYWVZHBTUAAC-NSHDSACASA-N 0 1 288.174 2.656 20 10 CFCDMN Cc1ccc(O)c(CN2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000375358763 382082338 /nfs/dbraw/zinc/08/23/38/382082338.db2.gz YFYXZBNJKKDPAD-CYBMUJFWSA-N 0 1 257.337 2.761 20 10 CFCDMN Cc1cc(CN2CCO[C@@H]3CCC[C@@H]32)ccc1N(C)C ZINC000293577472 382182763 /nfs/dbraw/zinc/18/27/63/382182763.db2.gz SYSARNINLBBBOY-DLBZAZTESA-N 0 1 274.408 2.814 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000293709582 382243793 /nfs/dbraw/zinc/24/37/93/382243793.db2.gz UMMSQIKQBQQQSA-DTORHVGOSA-N 0 1 273.735 2.794 20 10 CFCDMN COc1ccc(O)c([C@H](C)N2CCOC[C@H]2C2CC2)c1 ZINC000377621788 382303519 /nfs/dbraw/zinc/30/35/19/382303519.db2.gz XUEPKAQMFOWELH-NHYWBVRUSA-N 0 1 277.364 2.573 20 10 CFCDMN CC[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000293890678 382325183 /nfs/dbraw/zinc/32/51/83/382325183.db2.gz ZBXBAJNYXGXRPS-WPRPVWTQSA-N 0 1 288.185 2.576 20 10 CFCDMN CCOc1ccc(O)c(CN2CCC[C@H]2CF)c1 ZINC000294016643 382380045 /nfs/dbraw/zinc/38/00/45/382380045.db2.gz NEAWNUKLXZQZLD-LBPRGKRZSA-N 0 1 253.317 2.725 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[C@@H]1O ZINC000294118640 382422531 /nfs/dbraw/zinc/42/25/31/382422531.db2.gz GFXQIMVADHTABP-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378371896 382449743 /nfs/dbraw/zinc/44/97/43/382449743.db2.gz AIBBFVNHBRACCI-NWANDNLSSA-N 0 1 261.365 2.638 20 10 CFCDMN COc1cccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000294202622 382458106 /nfs/dbraw/zinc/45/81/06/382458106.db2.gz XWBQMFORMHLKFC-SJORKVTESA-N 0 1 289.375 2.544 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000378496853 382472533 /nfs/dbraw/zinc/47/25/33/382472533.db2.gz NQYOCPHSSLIONM-NSHDSACASA-N 0 1 275.327 2.634 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000378538098 382478998 /nfs/dbraw/zinc/47/89/98/382478998.db2.gz ZZKJCYBEOINOKU-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1F ZINC000295240722 382597115 /nfs/dbraw/zinc/59/71/15/382597115.db2.gz OZVZOMJORAIVDA-CQSZACIVSA-N 0 1 294.414 2.875 20 10 CFCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC(C)(C)O1 ZINC000189658897 382633097 /nfs/dbraw/zinc/63/30/97/382633097.db2.gz OHRMIWLJGDUTTE-UHFFFAOYSA-N 0 1 293.363 2.510 20 10 CFCDMN Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667043 383426167 /nfs/dbraw/zinc/42/61/67/383426167.db2.gz FUTNSQFPRSRGDW-KBPBESRZSA-N 0 1 280.799 2.762 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667043 383426168 /nfs/dbraw/zinc/42/61/68/383426168.db2.gz FUTNSQFPRSRGDW-KBPBESRZSA-N 0 1 280.799 2.762 20 10 CFCDMN CC(C)(CO)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000266121816 384083464 /nfs/dbraw/zinc/08/34/64/384083464.db2.gz AACOUVZHQWKNAN-UHFFFAOYSA-N 0 1 271.788 2.934 20 10 CFCDMN Cc1ccc(O)c(CN2CCN(Cc3ccco3)CC2)c1 ZINC000271028422 385308614 /nfs/dbraw/zinc/30/86/14/385308614.db2.gz GOMRYFCINWXCAV-UHFFFAOYSA-N 0 1 286.375 2.611 20 10 CFCDMN Cc1n[nH]cc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271047082 385318698 /nfs/dbraw/zinc/31/86/98/385318698.db2.gz MWROWMDPGSJMCT-UHFFFAOYSA-N 0 1 284.407 2.949 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000271295801 385379471 /nfs/dbraw/zinc/37/94/71/385379471.db2.gz SEGGYCPYRRUKDK-GXTWGEPZSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000271295801 385379475 /nfs/dbraw/zinc/37/94/75/385379475.db2.gz SEGGYCPYRRUKDK-GXTWGEPZSA-N 0 1 299.823 2.752 20 10 CFCDMN CC[C@H](NCc1nccn1CC)c1ccccc1O ZINC000271649753 385388279 /nfs/dbraw/zinc/38/82/79/385388279.db2.gz AYZISPRZTYEMKT-ZDUSSCGKSA-N 0 1 259.353 2.850 20 10 CFCDMN CC(C)(C)N1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000271778764 385391410 /nfs/dbraw/zinc/39/14/10/385391410.db2.gz DFFIWPNDSHBJAM-JTQLQIEISA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c(O)c1C ZINC000273376997 385678595 /nfs/dbraw/zinc/67/85/95/385678595.db2.gz HJYZEQLSXJGFSH-CJNGLKHVSA-N 0 1 298.386 2.886 20 10 CFCDMN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273497017 385685692 /nfs/dbraw/zinc/68/56/92/385685692.db2.gz PHTHMKVFIPCXBL-QWRGUYRKSA-N 0 1 279.771 2.981 20 10 CFCDMN [O-]c1c(F)cccc1CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000374900013 393503065 /nfs/dbraw/zinc/50/30/65/393503065.db2.gz UAEQNGNUOQNXRZ-OAHLLOKOSA-N 0 1 292.398 2.982 20 10 CFCDMN CC(C)CCOCC[N@@H+](C)Cc1ccccc1O ZINC000120766278 393940886 /nfs/dbraw/zinc/94/08/86/393940886.db2.gz MZQMMBDWUBDJJG-UHFFFAOYSA-N 0 1 251.370 2.887 20 10 CFCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278238597 394060611 /nfs/dbraw/zinc/06/06/11/394060611.db2.gz NNUNSXQDASUTRA-SNVBAGLBSA-N 0 1 282.340 2.785 20 10 CFCDMN CC[C@@H](N[C@H](C)c1ncnn1C)c1ccc(C)cc1O ZINC000280119698 394070445 /nfs/dbraw/zinc/07/04/45/394070445.db2.gz OFAPJBKVHRGXFP-DGCLKSJQSA-N 0 1 274.368 2.631 20 10 CFCDMN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168868785 394370490 /nfs/dbraw/zinc/37/04/90/394370490.db2.gz OFPPRBWXYONBRV-JGRMJRGVSA-N 0 1 291.416 2.963 20 10 CFCDMN COc1cccc(CN[C@@H](C)c2ncccc2F)c1O ZINC000527825838 394413542 /nfs/dbraw/zinc/41/35/42/394413542.db2.gz DFZNJMUDEVSLAR-JTQLQIEISA-N 0 1 276.311 2.786 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000035603011 172291710 /nfs/dbraw/zinc/29/17/10/172291710.db2.gz KBTKBMCUKKUSPJ-KWQFWETISA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000185193931 262045388 /nfs/dbraw/zinc/04/53/88/262045388.db2.gz HWSULCNWEHKQGY-JTQLQIEISA-N 0 1 284.787 2.565 20 10 CFCDMN C[C@H]1CCOCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000368595709 267189815 /nfs/dbraw/zinc/18/98/15/267189815.db2.gz YDVFWEUYWAEAKX-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]1CCOCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000368595709 267189820 /nfs/dbraw/zinc/18/98/20/267189820.db2.gz YDVFWEUYWAEAKX-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369681942 267259218 /nfs/dbraw/zinc/25/92/18/267259218.db2.gz AQWHJNKVNAMHLX-IINYFYTJSA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369681942 267259220 /nfs/dbraw/zinc/25/92/20/267259220.db2.gz AQWHJNKVNAMHLX-IINYFYTJSA-N 0 1 267.756 2.656 20 10 CFCDMN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185436470 276046248 /nfs/dbraw/zinc/04/62/48/276046248.db2.gz PVVGESHMCSMWSP-ONGXEEELSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168868692 278296008 /nfs/dbraw/zinc/29/60/08/278296008.db2.gz OFPPRBWXYONBRV-PVUDRZGPSA-N 0 1 291.416 2.963 20 10 CFCDMN CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000230664272 280233680 /nfs/dbraw/zinc/23/36/80/280233680.db2.gz IEWIADJPPPQZNV-MFKMUULPSA-N 0 1 255.333 2.589 20 10 CFCDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527802672 330284233 /nfs/dbraw/zinc/28/42/33/330284233.db2.gz AXCAPRNCZXWNCY-LFNDISMMSA-N 0 1 269.772 2.947 20 10 CFCDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527802682 330284306 /nfs/dbraw/zinc/28/43/06/330284306.db2.gz AXCAPRNCZXWNCY-RZGXBDKHSA-N 0 1 269.772 2.947 20 10 CFCDMN C[C@H]([NH2+]CC1COC1)c1ccc2ccccc2c1[O-] ZINC000528029182 330305260 /nfs/dbraw/zinc/30/52/60/330305260.db2.gz YEDJBLCYEOFEOT-NSHDSACASA-N 0 1 257.333 2.842 20 10 CFCDMN CCOCC[N@@H+](CC)Cc1c([O-])cccc1Cl ZINC000156022552 519909868 /nfs/dbraw/zinc/90/98/68/519909868.db2.gz HHHTWIRKFVRTEN-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN CC(C)(CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000231401670 519221943 /nfs/dbraw/zinc/22/19/43/519221943.db2.gz WRPWPRSMFMSOOP-UHFFFAOYSA-N 0 1 257.761 2.544 20 10 CFCDMN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CCC1 ZINC000292861216 519820879 /nfs/dbraw/zinc/82/08/79/519820879.db2.gz VJAGPJZFSAOBAB-HNNXBMFYSA-N 0 1 281.371 2.808 20 10 CFCDMN CCCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000036780936 519880634 /nfs/dbraw/zinc/88/06/34/519880634.db2.gz LQPXWKOWBMTDIH-GFCCVEGCSA-N 0 1 286.375 2.722 20 10 CFCDMN CCOCC[N@H+](CC)Cc1c([O-])cccc1Cl ZINC000156022552 519909863 /nfs/dbraw/zinc/90/98/63/519909863.db2.gz HHHTWIRKFVRTEN-UHFFFAOYSA-N 0 1 257.761 2.904 20 10 CFCDMN CCOCCOCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000276118233 519992897 /nfs/dbraw/zinc/99/28/97/519992897.db2.gz AYVFDOKWNXWHCT-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN CCOCCOCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000276118233 519992907 /nfs/dbraw/zinc/99/29/07/519992907.db2.gz AYVFDOKWNXWHCT-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN CCOC[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079497941 520180866 /nfs/dbraw/zinc/18/08/66/520180866.db2.gz PXWMZURLCZJLOP-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079497941 520180872 /nfs/dbraw/zinc/18/08/72/520180872.db2.gz PXWMZURLCZJLOP-LBPRGKRZSA-N 0 1 295.354 2.592 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@@H]3CCC[C@H]32)c(O)c1 ZINC000228144609 520351170 /nfs/dbraw/zinc/35/11/70/520351170.db2.gz SVRSWQRFROYZRO-NVXWUHKLSA-N 0 1 291.391 2.934 20 10 CFCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000278192319 521330979 /nfs/dbraw/zinc/33/09/79/521330979.db2.gz ICSMGRAUSQBRSS-UHFFFAOYSA-N 0 1 268.313 2.539 20 10 CFCDMN CCOc1cccc(CNCc2nc(C)cs2)c1O ZINC000038090774 521368433 /nfs/dbraw/zinc/36/84/33/521368433.db2.gz CAXGFAMJLLJNNI-UHFFFAOYSA-N 0 1 278.377 2.846 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](CC)C(=O)OC ZINC000174375241 521691029 /nfs/dbraw/zinc/69/10/29/521691029.db2.gz SYYOTUFCSFSAKD-CYBMUJFWSA-N 0 1 265.353 2.556 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325870 521868277 /nfs/dbraw/zinc/86/82/77/521868277.db2.gz YRKHWFVUTVJJEX-MNOVXSKESA-N 0 1 294.351 2.787 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278309602 521871554 /nfs/dbraw/zinc/87/15/54/521871554.db2.gz DTESIBFPFCWUSP-LLVKDONJSA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278314586 521871904 /nfs/dbraw/zinc/87/19/04/521871904.db2.gz XFGMYKLZYWISAM-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278238723 521877030 /nfs/dbraw/zinc/87/70/30/521877030.db2.gz NQGQPIXHCOXPFK-WDEREUQCSA-N 0 1 294.351 2.929 20 10 CFCDMN COCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163761855 521919577 /nfs/dbraw/zinc/91/95/77/521919577.db2.gz QDGBAGVNQBMIIK-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN C[N@H+](CCCn1ccnc1)Cc1c([O-])cccc1Cl ZINC000290661549 522804240 /nfs/dbraw/zinc/80/42/40/522804240.db2.gz ZRTGZFGRUWYTMJ-UHFFFAOYSA-N 0 1 279.771 2.764 20 10 CFCDMN C[N@@H+](CCCn1ccnc1)Cc1c([O-])cccc1Cl ZINC000290661549 522804246 /nfs/dbraw/zinc/80/42/46/522804246.db2.gz ZRTGZFGRUWYTMJ-UHFFFAOYSA-N 0 1 279.771 2.764 20 10 CFCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295297 523435790 /nfs/dbraw/zinc/43/57/90/523435790.db2.gz CCSQPAWMYRSVGZ-PWSUYJOCSA-N 0 1 294.351 2.929 20 10 CFCDMN COCCN(Cc1ccccn1)Cc1cccc(C)c1O ZINC000289875128 523757415 /nfs/dbraw/zinc/75/74/15/523757415.db2.gz RQEUZPBQRWKYRS-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 CFCDMN COCCN(Cc1cccnc1)Cc1cc(C)ccc1O ZINC000289486832 523760450 /nfs/dbraw/zinc/76/04/50/523760450.db2.gz RCYLQVGBGFTLFW-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 CFCDMN CO[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C ZINC000276048013 524008379 /nfs/dbraw/zinc/00/83/79/524008379.db2.gz RLYRESLYSXSGLA-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C ZINC000276048013 524008381 /nfs/dbraw/zinc/00/83/81/524008381.db2.gz RLYRESLYSXSGLA-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN COc1ccc(CNCc2cccnc2OC)cc1C ZINC000037408130 524073236 /nfs/dbraw/zinc/07/32/36/524073236.db2.gz UWVXDKHEWLHZTA-UHFFFAOYSA-N 0 1 272.348 2.697 20 10 CFCDMN COc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1C ZINC000293162852 524083576 /nfs/dbraw/zinc/08/35/76/524083576.db2.gz VRJKQELFUWGESO-INIZCTEOSA-N 0 1 298.386 2.710 20 10 CFCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Cn1ccnc1 ZINC000264983836 524741293 /nfs/dbraw/zinc/74/12/93/524741293.db2.gz VEGAMHRMOLFCSA-NSHDSACASA-N 0 1 279.771 2.668 20 10 CFCDMN C[C@H]([NH2+]CC1CCOCC1)c1cc(F)ccc1[O-] ZINC000094618215 525325100 /nfs/dbraw/zinc/32/51/00/525325100.db2.gz SVUCSVSMFJUHHP-JTQLQIEISA-N 0 1 253.317 2.609 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000273527207 525418956 /nfs/dbraw/zinc/41/89/56/525418956.db2.gz VOZHNSXMVOYNIW-WOPDTQHZSA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000279054485 525759584 /nfs/dbraw/zinc/75/95/84/525759584.db2.gz KJNONUHENHCFPX-ZJUUUORDSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289972826 525819055 /nfs/dbraw/zinc/81/90/55/525819055.db2.gz ZMGUFSITBHVABM-DZGCQCFKSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000289972826 525819064 /nfs/dbraw/zinc/81/90/64/525819064.db2.gz ZMGUFSITBHVABM-DZGCQCFKSA-N 0 1 263.381 2.908 20 10 CFCDMN Cc1cnn([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC000290841480 526268307 /nfs/dbraw/zinc/26/83/07/526268307.db2.gz IIBUJNAIICZCOG-LBPRGKRZSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC000290841480 526268310 /nfs/dbraw/zinc/26/83/10/526268310.db2.gz IIBUJNAIICZCOG-LBPRGKRZSA-N 0 1 291.782 2.998 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCOCC12CCC2 ZINC000191380307 526345267 /nfs/dbraw/zinc/34/52/67/526345267.db2.gz UYLUIUJEZMPKCU-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCCO1 ZINC000083552210 526362847 /nfs/dbraw/zinc/36/28/47/526362847.db2.gz MHBCCAKXYBFRMV-SNVBAGLBSA-N 0 1 255.745 2.704 20 10 CFCDMN Oc1ccccc1CN[C@H]1COc2cccc(F)c21 ZINC000363675927 526374357 /nfs/dbraw/zinc/37/43/57/526374357.db2.gz VCEGXMRJGCVXNU-LBPRGKRZSA-N 0 1 259.280 2.755 20 10 CFCDMN c1ccc2nc(CNCc3ccc4c(c3)CCO4)cnc2c1 ZINC000727644181 574058128 /nfs/dbraw/zinc/05/81/28/574058128.db2.gz QVUKCTCZFNYKGI-UHFFFAOYSA-N 0 1 291.354 2.855 20 10 CFCDMN C[C@H]1COC(C)(C)CN1Cc1ccc(N(C)C)cc1 ZINC000754156677 574078496 /nfs/dbraw/zinc/07/84/96/574078496.db2.gz SXEIHEYYXWAGSY-ZDUSSCGKSA-N 0 1 262.397 2.752 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000754357807 574090383 /nfs/dbraw/zinc/09/03/83/574090383.db2.gz JAZJFDALGCQHIM-UHFFFAOYSA-N 0 1 263.312 2.766 20 10 CFCDMN CCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736992183 574093119 /nfs/dbraw/zinc/09/31/19/574093119.db2.gz BDZVJILHYJXGSS-UHFFFAOYSA-N 0 1 271.744 2.732 20 10 CFCDMN CN(C)c1ccc(CNCc2cccc(F)n2)cc1 ZINC000747925898 574220434 /nfs/dbraw/zinc/22/04/34/574220434.db2.gz MZIQSFBXKMBFTI-UHFFFAOYSA-N 0 1 259.328 2.577 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000756381131 574231416 /nfs/dbraw/zinc/23/14/16/574231416.db2.gz KNUBQCVMWZNOCK-WBMJQRKESA-N 0 1 284.359 2.578 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000756770129 574261567 /nfs/dbraw/zinc/26/15/67/574261567.db2.gz SLMKDRGXJIQKRZ-JOYOIKCWSA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc(N)n1 ZINC000749272041 574287662 /nfs/dbraw/zinc/28/76/62/574287662.db2.gz OIJSIURGMCPMQA-UHFFFAOYSA-N 0 1 297.406 2.602 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1C ZINC000833746997 605929924 /nfs/dbraw/zinc/92/99/24/605929924.db2.gz NSOXBTBCFQGXLF-CQSZACIVSA-N 0 1 277.364 2.838 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)cc1Cl ZINC000825396029 623684551 /nfs/dbraw/zinc/68/45/51/623684551.db2.gz NWUNUZIZDYQPCJ-VIFPVBQESA-N 0 1 257.761 2.603 20 10 CFCDMN CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759203 617837340 /nfs/dbraw/zinc/83/73/40/617837340.db2.gz GNKKICVVBDYXOK-SNVBAGLBSA-N 0 1 298.814 2.829 20 10 CFCDMN CN(Cc1cnc2ccccn12)Cc1ccccc1O ZINC000160292166 617926965 /nfs/dbraw/zinc/92/69/65/617926965.db2.gz ARFJSSOCFSOURQ-UHFFFAOYSA-N 0 1 267.332 2.672 20 10 CFCDMN CC[C@H]1COCCN1Cc1cc2c(cc1O)CCCC2 ZINC000160233027 617631066 /nfs/dbraw/zinc/63/10/66/617631066.db2.gz VCQAVUJOEHGOHG-INIZCTEOSA-N 0 1 275.392 2.882 20 10 CFCDMN CCn1ccc(CN[C@H](C)c2cc(C)ccc2O)n1 ZINC000840840380 617679557 /nfs/dbraw/zinc/67/95/57/617679557.db2.gz JBEFQHVGJLVERQ-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000892086932 617943402 /nfs/dbraw/zinc/94/34/02/617943402.db2.gz XDWPJEWGZHZTHU-UHFFFAOYSA-N 0 1 265.353 2.784 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccncc1 ZINC000127496034 618160352 /nfs/dbraw/zinc/16/03/52/618160352.db2.gz UQLIIHIHQUKUME-UHFFFAOYSA-N 0 1 262.740 2.773 20 10 CFCDMN Cc1n[nH]cc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840875131 618213035 /nfs/dbraw/zinc/21/30/35/618213035.db2.gz DHDQJRUZKLWVLV-UHFFFAOYSA-N 0 1 265.744 2.675 20 10 CFCDMN COc1cc(C)cc(C[N@H+]2CCOC[C@H]2C2CCC2)c1O ZINC000895085977 618277861 /nfs/dbraw/zinc/27/78/61/618277861.db2.gz QIRKTZCUSGROGA-HNNXBMFYSA-N 0 1 291.391 2.710 20 10 CFCDMN COc1cc(C)cc(CN2CCOC[C@H]2C2CCC2)c1O ZINC000895085977 618277865 /nfs/dbraw/zinc/27/78/65/618277865.db2.gz QIRKTZCUSGROGA-HNNXBMFYSA-N 0 1 291.391 2.710 20 10 CFCDMN CC[C@]1(C)CN(Cc2cc(OC)c(C)cc2O)CCO1 ZINC000190327401 618366430 /nfs/dbraw/zinc/36/64/30/618366430.db2.gz RPGJQCFCSPSKTC-MRXNPFEDSA-N 0 1 279.380 2.710 20 10 CFCDMN CCn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000895156034 618402319 /nfs/dbraw/zinc/40/23/19/618402319.db2.gz QUIRVKBMXWARDY-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN Oc1ccccc1CN(Cc1cnc[nH]1)Cc1ccco1 ZINC000178849623 618422466 /nfs/dbraw/zinc/42/24/66/618422466.db2.gz OVHIWSNPMWWXNW-UHFFFAOYSA-N 0 1 283.331 2.911 20 10 CFCDMN Cc1ncoc1CNCc1ccc2c(c1)CCCN2C ZINC000894208174 618477791 /nfs/dbraw/zinc/47/77/91/618477791.db2.gz DSWKJBBYGJZQGY-UHFFFAOYSA-N 0 1 271.364 2.655 20 10 CFCDMN CC1=NO[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000895299857 618519770 /nfs/dbraw/zinc/51/97/70/618519770.db2.gz HIAAWIQFDPSCMI-NSHDSACASA-N 0 1 268.744 2.608 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000182332609 625285153 /nfs/dbraw/zinc/28/51/53/625285153.db2.gz BAZBOQKDETTYPU-GJZGRUSLSA-N 0 1 295.354 2.781 20 10 CFCDMN Cc1ccc(CNCc2ccc3c(c2)CCO3)nc1C ZINC000314251646 618781788 /nfs/dbraw/zinc/78/17/88/618781788.db2.gz YMKBFFBIWLHLKY-UHFFFAOYSA-N 0 1 268.360 2.923 20 10 CFCDMN CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000313013076 618972219 /nfs/dbraw/zinc/97/22/19/618972219.db2.gz CUVDCKFPJKNJNT-LBPRGKRZSA-N 0 1 255.745 2.560 20 10 CFCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)o1 ZINC000182477659 625315305 /nfs/dbraw/zinc/31/53/05/625315305.db2.gz OIWRSFNLZVWQDO-UHFFFAOYSA-N 0 1 281.333 2.711 20 10 CFCDMN Cc1nc(C)c(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000314937418 619096912 /nfs/dbraw/zinc/09/69/12/619096912.db2.gz OMKFNDMTOIRRGF-UHFFFAOYSA-N 0 1 285.391 2.964 20 10 CFCDMN Cc1cnc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000235956790 619194155 /nfs/dbraw/zinc/19/41/55/619194155.db2.gz OZLKTDNFWQGHSR-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN CCCCC[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893921861 619243880 /nfs/dbraw/zinc/24/38/80/619243880.db2.gz SNMFZXMRTMEAQQ-UHFFFAOYSA-N 0 1 273.323 2.655 20 10 CFCDMN CC[C@@]1(C)COCCN1Cc1cc(C)cc(OC)c1O ZINC000894483305 619395266 /nfs/dbraw/zinc/39/52/66/619395266.db2.gz HUTUWESOWBJFHU-INIZCTEOSA-N 0 1 279.380 2.710 20 10 CFCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894503585 619403578 /nfs/dbraw/zinc/40/35/78/619403578.db2.gz JXVUNEUSHKSRRU-HNNXBMFYSA-N 0 1 285.334 2.655 20 10 CFCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894503588 619403601 /nfs/dbraw/zinc/40/36/01/619403601.db2.gz JXVUNEUSHKSRRU-OAHLLOKOSA-N 0 1 285.334 2.655 20 10 CFCDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597106 619428237 /nfs/dbraw/zinc/42/82/37/619428237.db2.gz VJGCKVOVYOXPLD-GWCFXTLKSA-N 0 1 285.334 2.796 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000894689761 619444439 /nfs/dbraw/zinc/44/44/39/619444439.db2.gz HXIKROFMUVVVLU-KBPBESRZSA-N 0 1 283.318 2.814 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894797846 619468684 /nfs/dbraw/zinc/46/86/84/619468684.db2.gz AGCKXVQDANALEM-AWEZNQCLSA-N 0 1 285.771 2.678 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000894851320 619482304 /nfs/dbraw/zinc/48/23/04/619482304.db2.gz PQTVVJSKTVDDGG-CYBMUJFWSA-N 0 1 297.345 2.919 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000894890224 619499710 /nfs/dbraw/zinc/49/97/10/619499710.db2.gz ZWRBXPASHLJVEH-YUELXQCFSA-N 0 1 297.345 2.796 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000895780342 619609128 /nfs/dbraw/zinc/60/91/28/619609128.db2.gz HVMGWOOMJMRBOI-WDMOLILDSA-N 0 1 281.783 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000895780342 619609129 /nfs/dbraw/zinc/60/91/29/619609129.db2.gz HVMGWOOMJMRBOI-WDMOLILDSA-N 0 1 281.783 2.557 20 10 CFCDMN Cc1ccc(CNCc2nc3c(s2)CCC3)c(O)c1 ZINC000896287759 619711056 /nfs/dbraw/zinc/71/10/56/619711056.db2.gz MUGAHKHBRXOMFO-UHFFFAOYSA-N 0 1 274.389 2.936 20 10 CFCDMN Cc1cccc(O)c1CNCc1nc2c(s1)COCC2 ZINC000897238153 619957073 /nfs/dbraw/zinc/95/70/73/619957073.db2.gz LXTATGCPNNVISJ-UHFFFAOYSA-N 0 1 290.388 2.520 20 10 CFCDMN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000840997881 620116415 /nfs/dbraw/zinc/11/64/15/620116415.db2.gz SINJKCNTFBBSJA-YUELXQCFSA-N 0 1 289.375 2.918 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C2CC2)cc1Cl ZINC000898198534 620353508 /nfs/dbraw/zinc/35/35/08/620353508.db2.gz DRZVRGIQUKXXJL-ZDUSSCGKSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@H]2C2CC2)c(Cl)c1 ZINC000898381057 620379099 /nfs/dbraw/zinc/37/90/99/620379099.db2.gz YBXBMUTZZRZZCG-JSGCOSHPSA-N 0 1 281.783 2.869 20 10 CFCDMN C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841064807 620432749 /nfs/dbraw/zinc/43/27/49/620432749.db2.gz KHOYAVDYQLWVBM-UFBFGSQYSA-N 0 1 289.206 2.929 20 10 CFCDMN Cc1ccc([C@H](C)NCc2csc(N)n2)c(O)c1C ZINC000902499018 621104698 /nfs/dbraw/zinc/10/46/98/621104698.db2.gz KCSCKDZIRBAPGX-JTQLQIEISA-N 0 1 277.393 2.899 20 10 CFCDMN CC(C)[C@H](N[C@@H](C)c1cc(F)ccc1O)c1nncn1C ZINC000903066746 621239502 /nfs/dbraw/zinc/23/95/02/621239502.db2.gz WVDLMNOUURAJNI-HZMBPMFUSA-N 0 1 292.358 2.708 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000903299549 621314426 /nfs/dbraw/zinc/31/44/26/621314426.db2.gz OHUIRPNWHBZSMW-UMVBOHGHSA-N 0 1 299.798 2.890 20 10 CFCDMN C[C@H]1C[C@H](NCc2cn(C)cn2)c2c1c(F)ccc2O ZINC000903350591 621343080 /nfs/dbraw/zinc/34/30/80/621343080.db2.gz CRNSDXFAWRYCAM-CABZTGNLSA-N 0 1 275.327 2.603 20 10 CFCDMN C[C@H](NCc1cn(C)cn1)c1cc2c(cc1O)CCCC2 ZINC000903351339 621343213 /nfs/dbraw/zinc/34/32/13/621343213.db2.gz JVAANIPHWVCLFZ-LBPRGKRZSA-N 0 1 285.391 2.855 20 10 CFCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000903393613 621352605 /nfs/dbraw/zinc/35/26/05/621352605.db2.gz QFACEOAUCSJIBB-HOTUBEGUSA-N 0 1 255.745 2.731 20 10 CFCDMN CCOC(=O)c1c(C)[nH]nc1CSc1nccs1 ZINC000821078676 622842416 /nfs/dbraw/zinc/84/24/16/622842416.db2.gz XCWIUNWCJJFCSA-UHFFFAOYSA-N 0 1 283.378 2.644 20 10 CFCDMN COc1cc(C)cc(CN(C)Cc2c(C)noc2C)c1O ZINC000163994949 622933100 /nfs/dbraw/zinc/93/31/00/622933100.db2.gz MPQXDPJYSYJKPK-UHFFFAOYSA-N 0 1 290.363 2.946 20 10 CFCDMN CC[S@](=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168765745 623103161 /nfs/dbraw/zinc/10/31/61/623103161.db2.gz XULLTRWRCOPBEY-MPBGBICISA-N 0 1 291.416 2.965 20 10 CFCDMN COC(=O)C1(C)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000822529684 623121754 /nfs/dbraw/zinc/12/17/54/623121754.db2.gz HTJXNMUUOBWFPD-UHFFFAOYSA-N 0 1 285.343 2.540 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC000184691585 625635502 /nfs/dbraw/zinc/63/55/02/625635502.db2.gz CDDRRRJPKQTLOY-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)CC2CCOCC2)c1[O-] ZINC000184691585 625635514 /nfs/dbraw/zinc/63/55/14/625635514.db2.gz CDDRRRJPKQTLOY-UHFFFAOYSA-N 0 1 299.798 2.913 20 10 CFCDMN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230153192 623256475 /nfs/dbraw/zinc/25/64/75/623256475.db2.gz JOKNVXNVOHEZOE-TVQRCGJNSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H](CO)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230158344 623258241 /nfs/dbraw/zinc/25/82/41/623258241.db2.gz FMVLPNLISKNBCE-JTQLQIEISA-N 0 1 257.761 2.544 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cnccn2)c1 ZINC000184724193 625641943 /nfs/dbraw/zinc/64/19/43/625641943.db2.gz JCTIDAMKJBFJQZ-QWRGUYRKSA-N 0 1 273.336 2.603 20 10 CFCDMN CCn1nnc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000824195822 623467477 /nfs/dbraw/zinc/46/74/77/623467477.db2.gz KJWXGTIAHQRYET-LBPRGKRZSA-N 0 1 287.411 2.523 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCO2)cc1Cl ZINC000824556496 623523903 /nfs/dbraw/zinc/52/39/03/623523903.db2.gz WABZIISEIVVXLY-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCO2)cc1Cl ZINC000824556496 623523908 /nfs/dbraw/zinc/52/39/08/623523908.db2.gz WABZIISEIVVXLY-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000824636257 623536295 /nfs/dbraw/zinc/53/62/95/623536295.db2.gz NLMYYWWTQIASIM-GWCFXTLKSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000824636257 623536298 /nfs/dbraw/zinc/53/62/98/623536298.db2.gz NLMYYWWTQIASIM-GWCFXTLKSA-N 0 1 269.772 2.638 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824829898 623573647 /nfs/dbraw/zinc/57/36/47/623573647.db2.gz MXDPQEDRFSVJIU-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824829898 623573653 /nfs/dbraw/zinc/57/36/53/623573653.db2.gz MXDPQEDRFSVJIU-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824829898 623573657 /nfs/dbraw/zinc/57/36/57/623573657.db2.gz MXDPQEDRFSVJIU-NSHDSACASA-N 0 1 255.745 2.575 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845284 623576138 /nfs/dbraw/zinc/57/61/38/623576138.db2.gz IWIORDUKBJSEPO-CJNGLKHVSA-N 0 1 295.810 2.932 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824856323 623579240 /nfs/dbraw/zinc/57/92/40/623579240.db2.gz VROJXARCXPHSQL-GFCCVEGCSA-N 0 1 297.782 2.882 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824856323 623579250 /nfs/dbraw/zinc/57/92/50/623579250.db2.gz VROJXARCXPHSQL-GFCCVEGCSA-N 0 1 297.782 2.882 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824902413 623584541 /nfs/dbraw/zinc/58/45/41/623584541.db2.gz WFJBUADULXADLA-HNNXBMFYSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824902413 623584544 /nfs/dbraw/zinc/58/45/44/623584544.db2.gz WFJBUADULXADLA-HNNXBMFYSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824902413 623584552 /nfs/dbraw/zinc/58/45/52/623584552.db2.gz WFJBUADULXADLA-HNNXBMFYSA-N 0 1 297.782 2.739 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1Cl ZINC000824920545 623588823 /nfs/dbraw/zinc/58/88/23/623588823.db2.gz QXQSHQZMBRBUMX-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1Cl ZINC000824920545 623588826 /nfs/dbraw/zinc/58/88/26/623588826.db2.gz QXQSHQZMBRBUMX-BXUZGUMPSA-N 0 1 283.799 2.947 20 10 CFCDMN CCOc1ccc(O)c(CN[C@@H](C)c2nccn2CC)c1 ZINC000825005339 623605081 /nfs/dbraw/zinc/60/50/81/623605081.db2.gz HULFOOAOPVQRBV-LBPRGKRZSA-N 0 1 289.379 2.858 20 10 CFCDMN CCOCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825070523 623622444 /nfs/dbraw/zinc/62/24/44/623622444.db2.gz GRZRMRXOZWZZSF-UHFFFAOYSA-N 0 1 257.761 2.870 20 10 CFCDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000825103736 623630009 /nfs/dbraw/zinc/63/00/09/623630009.db2.gz HHIWTIOBTFQEDL-RDDDGLTNSA-N 0 1 276.163 2.654 20 10 CFCDMN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825125233 623634885 /nfs/dbraw/zinc/63/48/85/623634885.db2.gz HWAJMBHGASXYHT-LLVKDONJSA-N 0 1 298.814 2.748 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C)C2)cc1Cl ZINC000825131103 623636703 /nfs/dbraw/zinc/63/67/03/623636703.db2.gz KCGRYFQVAUPMDJ-GFCCVEGCSA-N 0 1 268.788 2.538 20 10 CFCDMN CC[C@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297976 623665482 /nfs/dbraw/zinc/66/54/82/623665482.db2.gz RGLSVVXCMAQPPX-LLVKDONJSA-N 0 1 257.761 2.605 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825256884 623659836 /nfs/dbraw/zinc/65/98/36/623659836.db2.gz KXBSLEKQCVJODF-JFGNBEQYSA-N 0 1 289.297 2.975 20 10 CFCDMN CSC[C@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825291524 623664509 /nfs/dbraw/zinc/66/45/09/623664509.db2.gz MVYRANOUGHVEII-NSHDSACASA-N 0 1 289.828 2.558 20 10 CFCDMN Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])[nH]n1 ZINC000825298159 623664554 /nfs/dbraw/zinc/66/45/54/623664554.db2.gz VJSLLSVLLAELED-UHFFFAOYSA-N 0 1 265.744 2.675 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1Cl ZINC000825352597 623679200 /nfs/dbraw/zinc/67/92/00/623679200.db2.gz HNXXATVRUUKSOZ-AULYBMBSSA-N 0 1 283.799 2.995 20 10 CFCDMN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825514757 623707040 /nfs/dbraw/zinc/70/70/40/623707040.db2.gz SCKFCWKUQZAVMS-UKRRQHHQSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1Cl ZINC000825635073 623728621 /nfs/dbraw/zinc/72/86/21/623728621.db2.gz VFGSQFDOVDZTDD-ZANVPECISA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1Cl ZINC000825635073 623728623 /nfs/dbraw/zinc/72/86/23/623728623.db2.gz VFGSQFDOVDZTDD-ZANVPECISA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC2CCC2)cc1Cl ZINC000825745016 623749990 /nfs/dbraw/zinc/74/99/90/623749990.db2.gz SXZMKOKVGJDFGK-ZDUSSCGKSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1Cl ZINC000825954903 623775430 /nfs/dbraw/zinc/77/54/30/623775430.db2.gz CPQFLSJYZMZKDE-CYBMUJFWSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)cc1Cl ZINC000825954903 623775432 /nfs/dbraw/zinc/77/54/32/623775432.db2.gz CPQFLSJYZMZKDE-CYBMUJFWSA-N 0 1 269.772 2.699 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)C(F)F ZINC000826043708 623786548 /nfs/dbraw/zinc/78/65/48/623786548.db2.gz PCNYEIYRWHBUTB-JQWIXIFHSA-N 0 1 293.741 2.848 20 10 CFCDMN CCCn1nccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139669 623797748 /nfs/dbraw/zinc/79/77/48/623797748.db2.gz KJYBRWFBTZCMCM-UHFFFAOYSA-N 0 1 279.771 2.942 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914433757 623849366 /nfs/dbraw/zinc/84/93/66/623849366.db2.gz WDEPRWLYARLNSQ-DGCLKSJQSA-N 0 1 267.756 2.560 20 10 CFCDMN COC[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000826840197 623888271 /nfs/dbraw/zinc/88/82/71/623888271.db2.gz VXXZXBYIIUJUJT-OAHLLOKOSA-N 0 1 289.375 2.687 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@]1(C)CO ZINC000827691831 624065548 /nfs/dbraw/zinc/06/55/48/624065548.db2.gz CIGACNZXRAYBHV-LKFCYVNXSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c(Cl)c1 ZINC000827692474 624065871 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ZINC000828008882 624153079 /nfs/dbraw/zinc/15/30/79/624153079.db2.gz GBHVCPNAPLEXEW-HWKANZROSA-N 0 1 296.418 2.937 20 10 CFCDMN CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccccc1O ZINC000179570625 624967752 /nfs/dbraw/zinc/96/77/52/624967752.db2.gz JMRCILXICOCTJW-ZDUSSCGKSA-N 0 1 277.364 2.698 20 10 CFCDMN COC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000181089313 625062917 /nfs/dbraw/zinc/06/29/17/625062917.db2.gz GXUFRVWWWAPJRC-UHFFFAOYSA-N 0 1 255.745 2.704 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH+]1CCCC1 ZINC000101590298 625745007 /nfs/dbraw/zinc/74/50/07/625745007.db2.gz UWFZQRCSPQMNAF-UHFFFAOYSA-N 0 1 256.143 2.751 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H]2CCn3ccnc32)c(O)c1 ZINC000834832879 625893867 /nfs/dbraw/zinc/89/38/67/625893867.db2.gz SJWGUBUOQGFQAP-WCQYABFASA-N 0 1 257.337 2.693 20 10 CFCDMN CCn1ccnc1[C@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834895800 625912431 /nfs/dbraw/zinc/91/24/31/625912431.db2.gz RMRGYNDPSUKURO-WCQYABFASA-N 0 1 271.364 2.947 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000834905330 625917972 /nfs/dbraw/zinc/91/79/72/625917972.db2.gz GBCQZJNDUOCCOY-WCFLWFBJSA-N 0 1 257.333 2.719 20 10 CFCDMN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc2ccccc2c1[O-] ZINC000834908086 625920207 /nfs/dbraw/zinc/92/02/07/625920207.db2.gz GVVJFBYYVQHQQO-KZULUSFZSA-N 0 1 298.386 2.865 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(=O)NC ZINC000834913394 625920481 /nfs/dbraw/zinc/92/04/81/625920481.db2.gz OPXSHCJLXDDAAI-IAQYHMDHSA-N 0 1 286.375 2.721 20 10 CFCDMN CC[C@H]([NH2+]C1CNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955892 625962400 /nfs/dbraw/zinc/96/24/00/625962400.db2.gz KFLYGZDRXRJLDU-NSHDSACASA-N 0 1 275.179 2.712 20 10 CFCDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000851707332 634481635 /nfs/dbraw/zinc/48/16/35/634481635.db2.gz AVNBOLZYMGHLJC-GFCCVEGCSA-N 0 1 276.380 2.580 20 10 CFCDMN CCc1nc([C@@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000921946360 626183307 /nfs/dbraw/zinc/18/33/07/626183307.db2.gz NBEQBFBADPAFKZ-LLVKDONJSA-N 0 1 286.379 2.543 20 10 CFCDMN Cn1ncc(C2CC2)c1CNCc1ccc2c(c1)CCCO2 ZINC000922249648 626251352 /nfs/dbraw/zinc/25/13/52/626251352.db2.gz YWXQNPINSRXGBQ-UHFFFAOYSA-N 0 1 297.402 2.912 20 10 CFCDMN Cc1nn(C)c(CNCc2cc(C)ccc2O)c1Cl ZINC000922285229 626259050 /nfs/dbraw/zinc/25/90/50/626259050.db2.gz XPTCTCQUBASMPN-UHFFFAOYSA-N 0 1 279.771 2.686 20 10 CFCDMN CCC[C@@H](O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000922823098 626374682 /nfs/dbraw/zinc/37/46/82/626374682.db2.gz VFBMIRMVQJXEHA-LLVKDONJSA-N 0 1 271.788 2.995 20 10 CFCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1COC1 ZINC000824471380 626480482 /nfs/dbraw/zinc/48/04/82/626480482.db2.gz AEXBEOAKAVQKRZ-UHFFFAOYSA-N 0 1 273.735 2.794 20 10 CFCDMN COCc1cc(CNCCCSc2nccs2)no1 ZINC000838963756 626517230 /nfs/dbraw/zinc/51/72/30/626517230.db2.gz YNNRFNBXLLRQJP-UHFFFAOYSA-N 0 1 299.421 2.550 20 10 CFCDMN Cc1noc(C2C[NH+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000839131558 626527854 /nfs/dbraw/zinc/52/78/54/626527854.db2.gz WABMHBYQDCYKAR-UHFFFAOYSA-N 0 1 295.342 2.836 20 10 CFCDMN COc1cccc(CN2CC(CC(F)(F)F)C2)c1O ZINC000839138003 626528266 /nfs/dbraw/zinc/52/82/66/626528266.db2.gz KSHZJIUFIJFTKV-UHFFFAOYSA-N 0 1 275.270 2.785 20 10 CFCDMN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000839191937 626530714 /nfs/dbraw/zinc/53/07/14/626530714.db2.gz QPZNAPAQCGUASV-GJBLVYBDSA-N 0 1 284.407 2.850 20 10 CFCDMN C[C@H]1[N@H+](Cc2c([O-])ccc3ccncc32)CCOC1(C)C ZINC000763203575 626970357 /nfs/dbraw/zinc/97/03/57/626970357.db2.gz FLJPYBYUSHIWHD-GFCCVEGCSA-N 0 1 286.375 2.940 20 10 CFCDMN C[C@H]1[N@@H+](Cc2c([O-])ccc3ccncc32)CCOC1(C)C ZINC000763203575 626970360 /nfs/dbraw/zinc/97/03/60/626970360.db2.gz FLJPYBYUSHIWHD-GFCCVEGCSA-N 0 1 286.375 2.940 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CCOCC1 ZINC000767976713 627300044 /nfs/dbraw/zinc/30/00/44/627300044.db2.gz OYPPBDVSMNESHP-UHFFFAOYSA-N 0 1 286.375 2.799 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)CC1CCOCC1 ZINC000767976713 627300046 /nfs/dbraw/zinc/30/00/46/627300046.db2.gz OYPPBDVSMNESHP-UHFFFAOYSA-N 0 1 286.375 2.799 20 10 CFCDMN CC(C)[N@@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768137900 627320366 /nfs/dbraw/zinc/32/03/66/627320366.db2.gz OBEQOSCHMMOZPM-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN CC(C)[N@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768137900 627320368 /nfs/dbraw/zinc/32/03/68/627320368.db2.gz OBEQOSCHMMOZPM-UHFFFAOYSA-N 0 1 282.815 2.962 20 10 CFCDMN CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000768274855 627329677 /nfs/dbraw/zinc/32/96/77/627329677.db2.gz UTKNOLGELOFYHT-LBPRGKRZSA-N 0 1 298.745 2.558 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCOC1 ZINC000768521252 627349207 /nfs/dbraw/zinc/34/92/07/627349207.db2.gz ONAOIYGSTXULMB-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCOC1 ZINC000768521252 627349210 /nfs/dbraw/zinc/34/92/10/627349210.db2.gz ONAOIYGSTXULMB-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000769513828 627449885 /nfs/dbraw/zinc/44/98/85/627449885.db2.gz 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CHTZOUHNNZWVHT-GOEBONIOSA-N 0 1 284.359 2.660 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](CC)CO)c1cc(Cl)ccc1[O-] ZINC000775482790 628029618 /nfs/dbraw/zinc/02/96/18/628029618.db2.gz BBHIAVNMJKIAIX-CMPLNLGQSA-N 0 1 257.761 2.857 20 10 CFCDMN CC[C@@H]([NH2+]CCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775483208 628030152 /nfs/dbraw/zinc/03/01/52/628030152.db2.gz PHHCAMBQUTXEFH-CYBMUJFWSA-N 0 1 279.771 2.983 20 10 CFCDMN CC[C@@H]([NH2+]CC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775514105 628033315 /nfs/dbraw/zinc/03/33/15/628033315.db2.gz WBQFMPSBKUUABU-GFCCVEGCSA-N 0 1 269.772 2.859 20 10 CFCDMN COc1cc(O)c(CN(C)Cc2ccoc2)cc1OC ZINC000775663535 628051807 /nfs/dbraw/zinc/05/18/07/628051807.db2.gz MOEKMKLSHCQLFA-UHFFFAOYSA-N 0 1 277.320 2.634 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC000775716758 628058961 /nfs/dbraw/zinc/05/89/61/628058961.db2.gz NLPNXLSMNZBVJW-CYBMUJFWSA-N 0 1 285.746 2.796 20 10 CFCDMN CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000778405335 628305578 /nfs/dbraw/zinc/30/55/78/628305578.db2.gz OCLKSYYBEVANFQ-HNNXBMFYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000778405335 628305580 /nfs/dbraw/zinc/30/55/80/628305580.db2.gz OCLKSYYBEVANFQ-HNNXBMFYSA-N 0 1 297.782 2.595 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)c2c1c(F)ccc2[O-] ZINC000779084504 628350679 /nfs/dbraw/zinc/35/06/79/628350679.db2.gz FECHWCTUYLPMNR-ZYHUDNBSSA-N 0 1 279.355 2.832 20 10 CFCDMN CC(C)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000779151158 628355913 /nfs/dbraw/zinc/35/59/13/628355913.db2.gz VIDVHJWNABIIAL-MRXNPFEDSA-N 0 1 262.397 2.609 20 10 CFCDMN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892312 628502989 /nfs/dbraw/zinc/50/29/89/628502989.db2.gz KGQUFLFSRMJUJZ-WDEREUQCSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780892312 628502991 /nfs/dbraw/zinc/50/29/91/628502991.db2.gz KGQUFLFSRMJUJZ-WDEREUQCSA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000784036306 628767631 /nfs/dbraw/zinc/76/76/31/628767631.db2.gz SSVORPOUPAYVTB-SWLSCSKDSA-N 0 1 291.391 2.686 20 10 CFCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1ccccc1C ZINC000789926878 629197233 /nfs/dbraw/zinc/19/72/33/629197233.db2.gz FVKXDROFNJWFRU-UHFFFAOYSA-N 0 1 295.346 2.773 20 10 CFCDMN O=C(Nc1ccc2[nH]ccc2c1)c1c(F)ccc(O)c1O ZINC000789953454 629199608 /nfs/dbraw/zinc/19/96/08/629199608.db2.gz VEEAWOXRNCFLFO-UHFFFAOYSA-N 0 1 286.262 2.971 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790949843 629273753 /nfs/dbraw/zinc/27/37/53/629273753.db2.gz PMSWXSSICMODCV-STQMWFEESA-N 0 1 298.789 2.901 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000852322608 634722047 /nfs/dbraw/zinc/72/20/47/634722047.db2.gz NQWYCDDVTVIXGC-QGZVFWFLSA-N 0 1 274.408 2.754 20 10 CFCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cnn(C)c2)cc1 ZINC000835024684 629321276 /nfs/dbraw/zinc/32/12/76/629321276.db2.gz BALFORLGHJRAGV-WAYWQWQTSA-N 0 1 284.407 2.631 20 10 CFCDMN CN(C)c1ccc(/C=C\CN[C@@H]2CCn3ccnc32)cc1 ZINC000835055805 629358656 /nfs/dbraw/zinc/35/86/56/629358656.db2.gz ZKUZGKCGHBKJFF-MJSXRHKHSA-N 0 1 282.391 2.697 20 10 CFCDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792173774 629405640 /nfs/dbraw/zinc/40/56/40/629405640.db2.gz CDLHPZMERNMUFA-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1CCO ZINC000792180802 629406375 /nfs/dbraw/zinc/40/63/75/629406375.db2.gz UTVNUYUNIIVPBQ-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN COc1cc(C)cc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000792725999 629447134 /nfs/dbraw/zinc/44/71/34/629447134.db2.gz OBISJKQUGORUMV-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN C[C@H]1COC(C)(C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000792724778 629447171 /nfs/dbraw/zinc/44/71/71/629447171.db2.gz ADHPNTVCNGAKLB-LBPRGKRZSA-N 0 1 286.375 2.940 20 10 CFCDMN C[C@H]1COC(C)(C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000792724778 629447174 /nfs/dbraw/zinc/44/71/74/629447174.db2.gz ADHPNTVCNGAKLB-LBPRGKRZSA-N 0 1 286.375 2.940 20 10 CFCDMN Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000794403700 629643999 /nfs/dbraw/zinc/64/39/99/629643999.db2.gz GOYYCQLSOXTRKG-UHFFFAOYSA-N 0 1 294.305 2.667 20 10 CFCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C2CC2)O1 ZINC000794653273 629671706 /nfs/dbraw/zinc/67/17/06/629671706.db2.gz LQICNUDXEKQGLL-KPZWWZAWSA-N 0 1 298.386 2.940 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C2CC2)O1 ZINC000794653273 629671710 /nfs/dbraw/zinc/67/17/10/629671710.db2.gz LQICNUDXEKQGLL-KPZWWZAWSA-N 0 1 298.386 2.940 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCC(C)(C)C1 ZINC000794688631 629676045 /nfs/dbraw/zinc/67/60/45/629676045.db2.gz YXTFPMIXZUHVEP-DOMZBBRYSA-N 0 1 291.391 2.829 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCC(C)(C)C1 ZINC000794688631 629676047 /nfs/dbraw/zinc/67/60/47/629676047.db2.gz YXTFPMIXZUHVEP-DOMZBBRYSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796497191 629926195 /nfs/dbraw/zinc/92/61/95/629926195.db2.gz FUXDLZKDOCEOAZ-WDEREUQCSA-N 0 1 269.772 2.808 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1[O-] ZINC000852560181 634779623 /nfs/dbraw/zinc/77/96/23/634779623.db2.gz PUVNEDKUISFGGG-IINYFYTJSA-N 0 1 297.782 2.593 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1[O-] ZINC000852560181 634779626 /nfs/dbraw/zinc/77/96/26/634779626.db2.gz PUVNEDKUISFGGG-IINYFYTJSA-N 0 1 297.782 2.593 20 10 CFCDMN FC(F)(F)c1cc(CNCc2ccc3c(c2)CCO3)[nH]n1 ZINC000799335738 630300251 /nfs/dbraw/zinc/30/02/51/630300251.db2.gz CQBDCVJDLKONMQ-UHFFFAOYSA-N 0 1 297.280 2.653 20 10 CFCDMN CCCC[N@H+](CCCC(=O)OC)Cc1ccccc1[O-] ZINC000801597041 630461453 /nfs/dbraw/zinc/46/14/53/630461453.db2.gz YRZLIKMBWJCFKD-UHFFFAOYSA-N 0 1 279.380 2.948 20 10 CFCDMN CCCC[N@@H+](CCCC(=O)OC)Cc1ccccc1[O-] ZINC000801597041 630461454 /nfs/dbraw/zinc/46/14/54/630461454.db2.gz YRZLIKMBWJCFKD-UHFFFAOYSA-N 0 1 279.380 2.948 20 10 CFCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NC1CC1 ZINC000806598710 630820743 /nfs/dbraw/zinc/82/07/43/630820743.db2.gz JWJUWKDQTGKPDK-UHFFFAOYSA-N 0 1 291.203 2.826 20 10 CFCDMN CO[C@H](C)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834559 630912932 /nfs/dbraw/zinc/91/29/32/630912932.db2.gz NNKJGSABRSTURO-SSDOTTSWSA-N 0 1 292.162 2.740 20 10 CFCDMN Cn1cccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836799 630913208 /nfs/dbraw/zinc/91/32/08/630913208.db2.gz PUGVAQCMXKBSDX-UHFFFAOYSA-N 0 1 299.157 2.968 20 10 CFCDMN CC(=O)C(=O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000808034481 630943835 /nfs/dbraw/zinc/94/38/35/630943835.db2.gz VAGFGMMPNVNWII-UHFFFAOYSA-N 0 1 274.345 2.635 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)NCc2nccn2C)c1O ZINC000808690541 631029216 /nfs/dbraw/zinc/02/92/16/631029216.db2.gz LOEIVTMXRIDIRR-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1csnn1 ZINC000840885416 631251275 /nfs/dbraw/zinc/25/12/75/631251275.db2.gz DCHJNCYGMHQQHP-YUMQZZPRSA-N 0 1 294.336 2.564 20 10 CFCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840888891 631253426 /nfs/dbraw/zinc/25/34/26/631253426.db2.gz ITSDSBKXADNVBM-UHFFFAOYSA-N 0 1 293.798 2.994 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOCC2CC2)c(Cl)c1 ZINC000840895157 631254377 /nfs/dbraw/zinc/25/43/77/631254377.db2.gz JOXOQEKEQVYPSL-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN CC[C@H](C)[C@@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896153 631255269 /nfs/dbraw/zinc/25/52/69/631255269.db2.gz FUEFLPOCJSKGEX-HZMBPMFUSA-N 0 1 271.788 2.851 20 10 CFCDMN CC[C@@H](C)[C@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896155 631255798 /nfs/dbraw/zinc/25/57/98/631255798.db2.gz FUEFLPOCJSKGEX-QMTHXVAHSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000840906437 631257737 /nfs/dbraw/zinc/25/77/37/631257737.db2.gz HDKQJRZWQZYKQX-XYPYZODXSA-N 0 1 269.772 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CCC2)c(Cl)c1 ZINC000840908677 631258592 /nfs/dbraw/zinc/25/85/92/631258592.db2.gz IINDRLTVAXDKAL-UHFFFAOYSA-N 0 1 283.799 2.996 20 10 CFCDMN Cc1cc(O)c(CN(C)[C@H]2CCOC2)c(Cl)c1 ZINC000840914964 631262997 /nfs/dbraw/zinc/26/29/97/631262997.db2.gz XGEXWVGLTJWLQS-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCOC2)c(Cl)c1 ZINC000840914964 631263001 /nfs/dbraw/zinc/26/30/01/631263001.db2.gz XGEXWVGLTJWLQS-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCOC2)c(Cl)c1 ZINC000840914964 631263004 /nfs/dbraw/zinc/26/30/04/631263004.db2.gz XGEXWVGLTJWLQS-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917143 631264644 /nfs/dbraw/zinc/26/46/44/631264644.db2.gz HHNONLNZBNYRTK-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917143 631264647 /nfs/dbraw/zinc/26/46/47/631264647.db2.gz HHNONLNZBNYRTK-JTQLQIEISA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840936820 631268624 /nfs/dbraw/zinc/26/86/24/631268624.db2.gz MSJXNNOYTDOQKQ-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840936820 631268628 /nfs/dbraw/zinc/26/86/28/631268628.db2.gz MSJXNNOYTDOQKQ-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN COCCO[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938001 631269823 /nfs/dbraw/zinc/26/98/23/631269823.db2.gz BQFNUNWVKUQYLZ-GFCCVEGCSA-N 0 1 299.798 2.591 20 10 CFCDMN COCCO[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840938001 631269827 /nfs/dbraw/zinc/26/98/27/631269827.db2.gz BQFNUNWVKUQYLZ-GFCCVEGCSA-N 0 1 299.798 2.591 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)CO)c(Cl)c1 ZINC000840951203 631278503 /nfs/dbraw/zinc/27/85/03/631278503.db2.gz UGACCYWLGAYAHE-UHFFFAOYSA-N 0 1 271.788 2.852 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CO)c(Cl)c1 ZINC000840951673 631279757 /nfs/dbraw/zinc/27/97/57/631279757.db2.gz FOHMPAQHOQGCHA-ZWNOBZJWSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CCCO)C2)c(Cl)c1 ZINC000840952501 631280390 /nfs/dbraw/zinc/28/03/90/631280390.db2.gz BPXQHDVOOJNMLD-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](CCCO)C2)c(Cl)c1 ZINC000840952501 631280394 /nfs/dbraw/zinc/28/03/94/631280394.db2.gz BPXQHDVOOJNMLD-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(O)c1 ZINC000840953860 631280711 /nfs/dbraw/zinc/28/07/11/631280711.db2.gz BRXIOXQDMYDOHT-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(CN2CCO[C@@H](C3CCC3)C2)c(O)c1 ZINC000840953860 631280722 /nfs/dbraw/zinc/28/07/22/631280722.db2.gz BRXIOXQDMYDOHT-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN Cn1ncc2c1CCCN(Cc1cc(Cl)ccc1O)C2 ZINC000840955065 631282137 /nfs/dbraw/zinc/28/21/37/631282137.db2.gz PXHGGTONIHFRNU-UHFFFAOYSA-N 0 1 291.782 2.728 20 10 CFCDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975954 631291078 /nfs/dbraw/zinc/29/10/78/631291078.db2.gz ATDQTUAROMQRDZ-ZJUUUORDSA-N 0 1 287.762 2.778 20 10 CFCDMN CC[C@@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996733 631298466 /nfs/dbraw/zinc/29/84/66/631298466.db2.gz KAPZGSFTHLXLGR-PSKZRQQASA-N 0 1 290.407 2.951 20 10 CFCDMN C[C@@H](N)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841081535 631332960 /nfs/dbraw/zinc/33/29/60/631332960.db2.gz SNINWCPHIWLBHC-RNFRBKRXSA-N 0 1 263.168 2.524 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207051 631344155 /nfs/dbraw/zinc/34/41/55/631344155.db2.gz CTNNMTBXXIVWEM-LDYMZIIASA-N 0 1 277.286 2.833 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213888 631345550 /nfs/dbraw/zinc/34/55/50/631345550.db2.gz YYKIDSCFYDXOFX-LDYMZIIASA-N 0 1 277.286 2.833 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841746204 631463455 /nfs/dbraw/zinc/46/34/55/631463455.db2.gz CYMLKSXNTUCBSP-CMPLNLGQSA-N 0 1 280.799 2.933 20 10 CFCDMN CCn1cnnc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748300 631464425 /nfs/dbraw/zinc/46/44/25/631464425.db2.gz KDPHUYUMBPKZFH-SNVBAGLBSA-N 0 1 294.786 2.550 20 10 CFCDMN CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841748647 631464545 /nfs/dbraw/zinc/46/45/45/631464545.db2.gz LUQHNGQRNIFHKH-CMPLNLGQSA-N 0 1 296.798 2.706 20 10 CFCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000841751825 631465357 /nfs/dbraw/zinc/46/53/57/631465357.db2.gz KQRQROHHEOHFFT-XEGUGMAKSA-N 0 1 299.798 2.890 20 10 CFCDMN COC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000841753422 631467227 /nfs/dbraw/zinc/46/72/27/631467227.db2.gz ZYQHLBLSSMTVKN-NSHDSACASA-N 0 1 299.798 2.892 20 10 CFCDMN CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765583 631469748 /nfs/dbraw/zinc/46/97/48/631469748.db2.gz ZXMKIKDJXUAZQG-RNCFNFMXSA-N 0 1 257.761 2.857 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841765097 631470199 /nfs/dbraw/zinc/47/01/99/631470199.db2.gz VBSGBGLDQCIBLW-NWDGAFQWSA-N 0 1 299.798 2.749 20 10 CFCDMN COc1ccc2c(c1)CCCN2Cc1[nH]ncc1C ZINC000811488048 631569583 /nfs/dbraw/zinc/56/95/83/631569583.db2.gz HETNYERKQIFSRK-UHFFFAOYSA-N 0 1 257.337 2.680 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812780510 631772849 /nfs/dbraw/zinc/77/28/49/631772849.db2.gz GVZFWAKBVJXEIY-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CC[C@H](C)N1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843162438 631871995 /nfs/dbraw/zinc/87/19/95/631871995.db2.gz XAXYRBDRBDCUCB-TXEJJXNPSA-N 0 1 286.379 2.615 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)CC2(CCC2)O1 ZINC000843432506 631957771 /nfs/dbraw/zinc/95/77/71/631957771.db2.gz MYULJSCHJYKDMD-LLVKDONJSA-N 0 1 265.328 2.675 20 10 CFCDMN CCCc1nc(C)c(CNCc2cc(OC)ccc2O)o1 ZINC000814177879 632024753 /nfs/dbraw/zinc/02/47/53/632024753.db2.gz STXYIPYOUIUCQD-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN CC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815014822 632187460 /nfs/dbraw/zinc/18/74/60/632187460.db2.gz BCIXXYUAWYNRPJ-HNNXBMFYSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815007623 632187651 /nfs/dbraw/zinc/18/76/51/632187651.db2.gz BZMOKNUBQJFKEH-KBPBESRZSA-N 0 1 262.397 2.670 20 10 CFCDMN Cc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815062212 632194248 /nfs/dbraw/zinc/19/42/48/632194248.db2.gz PPLNAWJOFBNOSY-UONOGXRCSA-N 0 1 262.397 2.670 20 10 CFCDMN CCCCCN(CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000815086009 632198452 /nfs/dbraw/zinc/19/84/52/632198452.db2.gz BVDRHLQDSMJZGW-UHFFFAOYSA-N 0 1 291.439 2.539 20 10 CFCDMN CCc1nocc1CNCc1ccc(N(C)C)c(F)c1 ZINC000815121858 632206904 /nfs/dbraw/zinc/20/69/04/632206904.db2.gz FALYCRUQLLVTKB-UHFFFAOYSA-N 0 1 277.343 2.732 20 10 CFCDMN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)[C@H](C)CO1 ZINC000844733932 632291921 /nfs/dbraw/zinc/29/19/21/632291921.db2.gz YEQQNMMSLNJUFM-OCCSQVGLSA-N 0 1 279.380 2.709 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000844936092 632341723 /nfs/dbraw/zinc/34/17/23/632341723.db2.gz TWFQCGIHDYNJMX-BBRMVZONSA-N 0 1 290.407 2.970 20 10 CFCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000844938976 632342516 /nfs/dbraw/zinc/34/25/16/632342516.db2.gz XOTAXJLUZMMYMQ-LFAOLKIESA-N 0 1 276.380 2.561 20 10 CFCDMN COC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816481398 632467529 /nfs/dbraw/zinc/46/75/29/632467529.db2.gz UPJGYQJZZMCKRH-UHFFFAOYSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483184 632468192 /nfs/dbraw/zinc/46/81/92/632468192.db2.gz IQOHOHDARCJJPU-HNNXBMFYSA-N 0 1 299.370 2.930 20 10 CFCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816483184 632468194 /nfs/dbraw/zinc/46/81/94/632468194.db2.gz IQOHOHDARCJJPU-HNNXBMFYSA-N 0 1 299.370 2.930 20 10 CFCDMN NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816498177 632471111 /nfs/dbraw/zinc/47/11/11/632471111.db2.gz JSIRFTHGRBUWRC-OAHLLOKOSA-N 0 1 298.386 2.775 20 10 CFCDMN NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816498177 632471115 /nfs/dbraw/zinc/47/11/15/632471115.db2.gz JSIRFTHGRBUWRC-OAHLLOKOSA-N 0 1 298.386 2.775 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000816513165 632475219 /nfs/dbraw/zinc/47/52/19/632475219.db2.gz IJPWULFXNBEFEU-AOOOYVTPSA-N 0 1 271.719 2.548 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H](O)C(F)(F)F)ccc2ccccc12 ZINC000816538636 632480390 /nfs/dbraw/zinc/48/03/90/632480390.db2.gz ZLCMEJXTMBDMAB-GFCCVEGCSA-N 0 1 285.265 2.558 20 10 CFCDMN CN1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542676 632480464 /nfs/dbraw/zinc/48/04/64/632480464.db2.gz XSYVUWHYLWYFOF-HNNXBMFYSA-N 0 1 270.376 2.729 20 10 CFCDMN [O-]c1c(C[NH2+][C@@H]2CCN(C3CC3)C2)ccc2ccccc21 ZINC000816548910 632481491 /nfs/dbraw/zinc/48/14/91/632481491.db2.gz XEHYJYOTJOYPNT-OAHLLOKOSA-N 0 1 282.387 2.872 20 10 CFCDMN C[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554153 632482447 /nfs/dbraw/zinc/48/24/47/632482447.db2.gz QJSIPFOXYWZWRV-GFCCVEGCSA-N 0 1 259.349 2.654 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCc3n[nH]cc3C2)ccc2ccccc21 ZINC000816552178 632482848 /nfs/dbraw/zinc/48/28/48/632482848.db2.gz CXQLYYITRMTPSM-HNNXBMFYSA-N 0 1 293.370 2.916 20 10 CFCDMN CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816556572 632484354 /nfs/dbraw/zinc/48/43/54/632484354.db2.gz NBNGZDAUWITVHK-HNNXBMFYSA-N 0 1 298.386 2.646 20 10 CFCDMN C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816556481 632484543 /nfs/dbraw/zinc/48/45/43/632484543.db2.gz KLAWSXLJWCQZIP-ODXCJYRJSA-N 0 1 291.416 2.792 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571418 632487861 /nfs/dbraw/zinc/48/78/61/632487861.db2.gz CYFWUUIFKBQGMM-NXEZZACHSA-N 0 1 286.778 2.709 20 10 CFCDMN [O-]c1c(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc2ccccc21 ZINC000816574604 632488084 /nfs/dbraw/zinc/48/80/84/632488084.db2.gz MZVBRGXPEGDQGI-OAHLLOKOSA-N 0 1 294.358 2.584 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H](n3cncn3)C2)ccc2ccccc21 ZINC000816574604 632488087 /nfs/dbraw/zinc/48/80/87/632488087.db2.gz MZVBRGXPEGDQGI-OAHLLOKOSA-N 0 1 294.358 2.584 20 10 CFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586434 632490432 /nfs/dbraw/zinc/49/04/32/632490432.db2.gz HVKVTNBVUKEIHW-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](C(F)F)C1 ZINC000816600812 632493227 /nfs/dbraw/zinc/49/32/27/632493227.db2.gz IHRRBPKHVDLJBT-NSHDSACASA-N 0 1 295.688 2.651 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630367 632497035 /nfs/dbraw/zinc/49/70/35/632497035.db2.gz BMZPPEXSEPDIQY-ZDUSSCGKSA-N 0 1 281.783 2.925 20 10 CFCDMN COC[C@@H]1CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816636781 632498593 /nfs/dbraw/zinc/49/85/93/632498593.db2.gz HNOCGWKCJCISKK-AWEZNQCLSA-N 0 1 257.333 2.766 20 10 CFCDMN COC[C@@H]1CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816636781 632498596 /nfs/dbraw/zinc/49/85/96/632498596.db2.gz HNOCGWKCJCISKK-AWEZNQCLSA-N 0 1 257.333 2.766 20 10 CFCDMN CCc1nocc1CN(C)Cc1cc(C)ccc1O ZINC000816652752 632504980 /nfs/dbraw/zinc/50/49/80/632504980.db2.gz SPYOWPLYEPOOKO-UHFFFAOYSA-N 0 1 260.337 2.883 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)[N@@H+]1C ZINC000816653048 632505182 /nfs/dbraw/zinc/50/51/82/632505182.db2.gz DCXYYTISNQKONY-AOOOYVTPSA-N 0 1 286.778 2.709 20 10 CFCDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816660944 632507812 /nfs/dbraw/zinc/50/78/12/632507812.db2.gz VSXSIZPKJIYCNL-LLVKDONJSA-N 0 1 286.778 2.711 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816666675 632509082 /nfs/dbraw/zinc/50/90/82/632509082.db2.gz SWUKSIYSRCXMBU-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816666675 632509087 /nfs/dbraw/zinc/50/90/87/632509087.db2.gz SWUKSIYSRCXMBU-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cnn(C)c2Cl)c1 ZINC000845972257 632607099 /nfs/dbraw/zinc/60/70/99/632607099.db2.gz PXGCZRZOPCYAMT-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](CC)OC[C@H]2C)c(O)c1 ZINC000846043847 632622619 /nfs/dbraw/zinc/62/26/19/632622619.db2.gz NCJGIOQRWLTOOL-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCC[N@H+]1C ZINC000817417375 632627498 /nfs/dbraw/zinc/62/74/98/632627498.db2.gz KWRPXRPJGBDWQZ-JTQLQIEISA-N 0 1 286.778 2.711 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)OCC23CCC3)c1 ZINC000846066911 632627651 /nfs/dbraw/zinc/62/76/51/632627651.db2.gz IYDNYKNWMGAYPI-CYBMUJFWSA-N 0 1 291.391 2.934 20 10 CFCDMN Cc1cccc(CNC(C)(C)c2cn(C(C)C)nn2)c1O ZINC000817420748 632628709 /nfs/dbraw/zinc/62/87/09/632628709.db2.gz YXJFRLHVKAJCLY-UHFFFAOYSA-N 0 1 288.395 2.898 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111915 632635324 /nfs/dbraw/zinc/63/53/24/632635324.db2.gz OJWPFUKCTKBVPP-DTORHVGOSA-N 0 1 259.683 2.743 20 10 CFCDMN CC[C@@H]([NH2+][C@H](CO)CCF)c1cc(Cl)ccc1[O-] ZINC000846209739 632660729 /nfs/dbraw/zinc/66/07/29/632660729.db2.gz UCKJIUPZAKBSRM-CMPLNLGQSA-N 0 1 275.751 2.807 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817585226 632671569 /nfs/dbraw/zinc/67/15/69/632671569.db2.gz CTZOKKRTZFHVAC-JTQLQIEISA-N 0 1 296.798 2.660 20 10 CFCDMN CCN1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473557 632715738 /nfs/dbraw/zinc/71/57/38/632715738.db2.gz UBKVQNXCFXLJCF-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881438 632717131 /nfs/dbraw/zinc/71/71/31/632717131.db2.gz SJWABOVLZAWCPN-GXSJLCMTSA-N 0 1 283.755 2.731 20 10 CFCDMN C[C@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972077 632772076 /nfs/dbraw/zinc/77/20/76/632772076.db2.gz JOIHRAJBKMLCIW-BQBZGAKWSA-N 0 1 263.168 2.697 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1[O-] ZINC000817975792 632773218 /nfs/dbraw/zinc/77/32/18/632773218.db2.gz BVDZFBIHMUSRAF-GMXVVIOVSA-N 0 1 286.778 2.786 20 10 CFCDMN CCC(CC)(C[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000818629961 632883862 /nfs/dbraw/zinc/88/38/62/632883862.db2.gz ITMHKERDKREFSA-UHFFFAOYSA-N 0 1 269.316 2.512 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1CO ZINC000857061558 635922255 /nfs/dbraw/zinc/92/22/55/635922255.db2.gz RYJJRPYCEYLHMU-MWLCHTKSSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCn2ccnc21 ZINC000848531174 633278969 /nfs/dbraw/zinc/27/89/69/633278969.db2.gz OGFKFEFLLCTVJO-MRXNPFEDSA-N 0 1 284.407 2.882 20 10 CFCDMN CCc1cccc(CN(CC(=O)OC)[C@@H](C)CC)c1O ZINC000848908593 633395456 /nfs/dbraw/zinc/39/54/56/633395456.db2.gz YHQYPXRPCHEWCW-LBPRGKRZSA-N 0 1 279.380 2.728 20 10 CFCDMN CCc1cccc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000848914770 633399514 /nfs/dbraw/zinc/39/95/14/633399514.db2.gz NLFXRTNNKCECBT-RISCZKNCSA-N 0 1 271.364 2.947 20 10 CFCDMN CC(C)CCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048519 633480294 /nfs/dbraw/zinc/48/02/94/633480294.db2.gz IFVZQAJJVXKUSK-UHFFFAOYSA-N 0 1 269.776 2.706 20 10 CFCDMN CCCn1nccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000850099664 633841163 /nfs/dbraw/zinc/84/11/63/633841163.db2.gz SPXFHKNJXJMOPO-UHFFFAOYSA-N 0 1 290.386 2.788 20 10 CFCDMN Cn1ncc(C2CC2)c1CNCc1ccc2c(c1)CCO2 ZINC000850111913 633845637 /nfs/dbraw/zinc/84/56/37/633845637.db2.gz RIKMXJIGGOFUDO-UHFFFAOYSA-N 0 1 283.375 2.522 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000850486244 634014713 /nfs/dbraw/zinc/01/47/13/634014713.db2.gz AAEXMGISEJILKJ-NOZJJQNGSA-N 0 1 269.772 2.857 20 10 CFCDMN COC[C@@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000850485966 634015000 /nfs/dbraw/zinc/01/50/00/634015000.db2.gz PAJHAOPHQVNXLS-ZYHUDNBSSA-N 0 1 287.787 2.748 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)c(O)c1C ZINC000850498718 634019171 /nfs/dbraw/zinc/01/91/71/634019171.db2.gz CAIWFPQDEOQDQU-OSMZGAPFSA-N 0 1 286.379 2.957 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850572148 634057088 /nfs/dbraw/zinc/05/70/88/634057088.db2.gz GXUCGDFSLIRRBO-RYUDHWBXSA-N 0 1 259.353 2.846 20 10 CFCDMN COc1cc(CN2CC3(CCC3)OC[C@@H]2C)c(O)cc1C ZINC000853541815 635033034 /nfs/dbraw/zinc/03/30/34/635033034.db2.gz UOUXBJUMIYNCRK-ZDUSSCGKSA-N 0 1 291.391 2.853 20 10 CFCDMN CNC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231107 635265272 /nfs/dbraw/zinc/26/52/72/635265272.db2.gz DUEOLSYEIBXTRW-SFYZADRCSA-N 0 1 277.195 2.958 20 10 CFCDMN CC(C)C[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113330970 635554527 /nfs/dbraw/zinc/55/45/27/635554527.db2.gz JCPAOMSDIZNGAU-SNVBAGLBSA-N 0 1 257.761 2.542 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@@H]2C=CCC2)cc1F ZINC000858188176 636151767 /nfs/dbraw/zinc/15/17/67/636151767.db2.gz AWRMROPUPADGLK-LLVKDONJSA-N 0 1 252.308 2.839 20 10 CFCDMN C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000858596203 636304682 /nfs/dbraw/zinc/30/46/82/636304682.db2.gz CCYFRWULPWEDJI-SECBINFHSA-N 0 1 292.757 2.893 20 10 CFCDMN CC[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000159715971 650274306 /nfs/dbraw/zinc/27/43/06/650274306.db2.gz AKNZBLWGGRHTTK-MRXNPFEDSA-N 0 1 275.392 2.882 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC(C)(CO)CC2)cc1F ZINC000862326976 637321045 /nfs/dbraw/zinc/32/10/45/637321045.db2.gz WGRIOGZAIFTKFV-UHFFFAOYSA-N 0 1 298.377 2.625 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)cc1Cl ZINC000862479739 637397531 /nfs/dbraw/zinc/39/75/31/637397531.db2.gz ZSVOZKAMRWQERO-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CC2(C)COC2)cc1Cl ZINC000862479739 637397533 /nfs/dbraw/zinc/39/75/33/637397533.db2.gz ZSVOZKAMRWQERO-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528907 637407954 /nfs/dbraw/zinc/40/79/54/637407954.db2.gz LRHFQTFLNZCIMS-SWLSCSKDSA-N 0 1 281.783 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528907 637407959 /nfs/dbraw/zinc/40/79/59/637407959.db2.gz LRHFQTFLNZCIMS-SWLSCSKDSA-N 0 1 281.783 2.640 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN(C)CC(F)F)cc1Cl ZINC000862550754 637422987 /nfs/dbraw/zinc/42/29/87/637422987.db2.gz OFEKNYAMERSNLG-UHFFFAOYSA-N 0 1 292.757 2.641 20 10 CFCDMN Cc1ccc(O)c(CNC(=O)c2[nH]nc3c2CCCCC3)c1 ZINC000862757021 637481220 /nfs/dbraw/zinc/48/12/20/637481220.db2.gz DGECWYCOMPLMHV-UHFFFAOYSA-N 0 1 299.374 2.623 20 10 CFCDMN OCCOc1ccc(NCc2ccc(F)c(F)c2O)cc1 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CC[C@@H]([NH2+]CCOC)c1cc(Br)ccc1[O-] ZINC000019881545 642154183 /nfs/dbraw/zinc/15/41/83/642154183.db2.gz SPLVTWAEMZTXRV-LLVKDONJSA-N 0 1 288.185 2.842 20 10 CFCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000086784685 650797194 /nfs/dbraw/zinc/79/71/94/650797194.db2.gz VYVNIMRPDZKRLD-INIZCTEOSA-N 0 1 277.364 2.777 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000876790787 643010818 /nfs/dbraw/zinc/01/08/18/643010818.db2.gz XDVAUJULGSVFDG-MRXNPFEDSA-N 0 1 273.332 2.867 20 10 CFCDMN Cc1cccc(O)c1CN1CCO[C@@H](c2ccco2)C1 ZINC000876790787 643010825 /nfs/dbraw/zinc/01/08/25/643010825.db2.gz XDVAUJULGSVFDG-MRXNPFEDSA-N 0 1 273.332 2.867 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877506654 643317549 /nfs/dbraw/zinc/31/75/49/643317549.db2.gz BCILPBSHJHRFGC-CHWSQXEVSA-N 0 1 283.318 2.814 20 10 CFCDMN COCCN(Cc1ccccn1)Cc1ccc(C)cc1O ZINC000877523454 643327769 /nfs/dbraw/zinc/32/77/69/643327769.db2.gz ZVUQJYNEPNFQQL-UHFFFAOYSA-N 0 1 286.375 2.744 20 10 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780820577 /nfs/dbraw/zinc/82/05/77/780820577.db2.gz ZNUWOPFGHGCTSO-UHFFFAOYSA-N 0 1 252.321 2.701 20 10 CFCDMN CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447497 781015344 /nfs/dbraw/zinc/01/53/44/781015344.db2.gz LEUFFQGKLAOJKR-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN CC[C@@]1(C)COCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447497 781015349 /nfs/dbraw/zinc/01/53/49/781015349.db2.gz LEUFFQGKLAOJKR-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703609454 781038898 /nfs/dbraw/zinc/03/88/98/781038898.db2.gz JQQSFEMUPLAVKC-ZDUSSCGKSA-N 0 1 285.334 2.917 20 10 CFCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703609452 781039269 /nfs/dbraw/zinc/03/92/69/781039269.db2.gz JQQSFEMUPLAVKC-CYBMUJFWSA-N 0 1 285.334 2.917 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCSC1 ZINC000706834271 781204711 /nfs/dbraw/zinc/20/47/11/781204711.db2.gz RAZFUXRODHOHSW-MRVPVSSYSA-N 0 1 288.210 2.750 20 10 CFCDMN COC[C@@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706883168 781212431 /nfs/dbraw/zinc/21/24/31/781212431.db2.gz HLSJWDRHVHOQTD-VIFPVBQESA-N 0 1 288.185 2.527 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000708839632 781282113 /nfs/dbraw/zinc/28/21/13/781282113.db2.gz PUYOOEDMXPPFHZ-PSASIEDQSA-N 0 1 289.206 2.726 20 10 CFCDMN CC(C)[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709001979 781286832 /nfs/dbraw/zinc/28/68/32/781286832.db2.gz XQCPVCAJTAONKY-GFCCVEGCSA-N 0 1 271.307 2.527 20 10 CFCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000709001979 781286836 /nfs/dbraw/zinc/28/68/36/781286836.db2.gz XQCPVCAJTAONKY-GFCCVEGCSA-N 0 1 271.307 2.527 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711471080 781437943 /nfs/dbraw/zinc/43/79/43/781437943.db2.gz QFDHLWNKPAVUJU-JTQLQIEISA-N 0 1 269.291 2.525 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711471080 781437950 /nfs/dbraw/zinc/43/79/50/781437950.db2.gz QFDHLWNKPAVUJU-JTQLQIEISA-N 0 1 269.291 2.525 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](CF)C2)c1O ZINC000711471080 781437956 /nfs/dbraw/zinc/43/79/56/781437956.db2.gz QFDHLWNKPAVUJU-JTQLQIEISA-N 0 1 269.291 2.525 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711502761 781448019 /nfs/dbraw/zinc/44/80/19/781448019.db2.gz OOZGEQOXPIPQJX-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711502761 781448025 /nfs/dbraw/zinc/44/80/25/781448025.db2.gz OOZGEQOXPIPQJX-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000294709207 199145902 /nfs/dbraw/zinc/14/59/02/199145902.db2.gz OQNOHVFTXPXKNG-XYPYZODXSA-N 0 1 287.762 2.920 20 10 CFCDMN C[C@H]([NH2+]CCF)c1ccc(Br)cc1[O-] ZINC000280925879 299295660 /nfs/dbraw/zinc/29/56/60/299295660.db2.gz DXTVEPICHXXBTG-ZETCQYMHSA-N 0 1 262.122 2.775 20 10 CFCDMN C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881354 299387790 /nfs/dbraw/zinc/38/77/90/299387790.db2.gz GDBRDPLWDDEMNB-ZLKJLUDKSA-N 0 1 296.361 2.948 20 10 CFCDMN C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881354 299387794 /nfs/dbraw/zinc/38/77/94/299387794.db2.gz GDBRDPLWDDEMNB-ZLKJLUDKSA-N 0 1 296.361 2.948 20 10 CFCDMN COC(=O)CN(Cc1cc(C)ccc1O)C1CCCC1 ZINC000093707500 375301532 /nfs/dbraw/zinc/30/15/32/375301532.db2.gz QKPQRZXZKGMXGF-UHFFFAOYSA-N 0 1 277.364 2.618 20 10 CFCDMN COc1cccc(CNC(C)(C)c2nccs2)c1O ZINC000116380578 376181989 /nfs/dbraw/zinc/18/19/89/376181989.db2.gz YQXKPXWDMFDFTC-UHFFFAOYSA-N 0 1 278.377 2.882 20 10 CFCDMN CC(C)(C)[S@](=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000116920965 376216197 /nfs/dbraw/zinc/21/61/97/376216197.db2.gz ZVEIPIKDGFCLSP-SFHVURJKSA-N 0 1 289.828 2.682 20 10 CFCDMN Oc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000119486698 376422497 /nfs/dbraw/zinc/42/24/97/376422497.db2.gz FVPPOVRHSWWGAJ-KRWDZBQOSA-N 0 1 298.386 2.968 20 10 CFCDMN C[C@@H](O)C[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000123476831 376953843 /nfs/dbraw/zinc/95/38/43/376953843.db2.gz HDQYGFPDJMIJMZ-NXEZZACHSA-N 0 1 257.761 2.542 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000134920991 378064394 /nfs/dbraw/zinc/06/43/94/378064394.db2.gz OWKBKPJYWAPGEO-DTWKUNHWSA-N 0 1 288.185 2.576 20 10 CFCDMN COC(=O)C1(N(C)Cc2ccccc2O)CCCCC1 ZINC000179574276 380558249 /nfs/dbraw/zinc/55/82/49/380558249.db2.gz UYVWLBOWVYHRFY-UHFFFAOYSA-N 0 1 277.364 2.700 20 10 CFCDMN COc1cccc([C@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000179570176 380559167 /nfs/dbraw/zinc/55/91/67/380559167.db2.gz DPPWWMKEYPPSNH-GOSISDBHSA-N 0 1 299.370 2.974 20 10 CFCDMN COc1ccc(O)c(CN2CCOC[C@@H]2CC(C)C)c1 ZINC000180202297 380632490 /nfs/dbraw/zinc/63/24/90/380632490.db2.gz XZUGZUDGBKOIKE-AWEZNQCLSA-N 0 1 279.380 2.648 20 10 CFCDMN C[C@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000180033424 380611065 /nfs/dbraw/zinc/61/10/65/380611065.db2.gz KHQJDBWIEUEPAT-VIFPVBQESA-N 0 1 285.771 2.865 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1F ZINC000180189537 380629430 /nfs/dbraw/zinc/62/94/30/380629430.db2.gz JVKLLNGKYRSCNX-INIZCTEOSA-N 0 1 280.387 2.629 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000180624683 380682593 /nfs/dbraw/zinc/68/25/93/380682593.db2.gz RCBLIQXRAAJOPA-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN CC[C@@H](NCC(F)(F)CO)c1cccc(Cl)c1O ZINC000287660825 380902074 /nfs/dbraw/zinc/90/20/74/380902074.db2.gz LSBQCSWLJYEYDP-SNVBAGLBSA-N 0 1 279.714 2.714 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2nccn2C(F)F)c1 ZINC000182431945 381088312 /nfs/dbraw/zinc/08/83/12/381088312.db2.gz SJYVNSSUULIMRY-SECBINFHSA-N 0 1 297.305 2.843 20 10 CFCDMN C[C@H](c1cccnc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000183730691 381312769 /nfs/dbraw/zinc/31/27/69/381312769.db2.gz QEKDSPCZZYVECT-LLVKDONJSA-N 0 1 286.331 2.709 20 10 CFCDMN C[N@@H+](CCc1ccncc1)Cc1cc(F)ccc1O ZINC000183756383 381314631 /nfs/dbraw/zinc/31/46/31/381314631.db2.gz ZBGDEJWASFCMMH-UHFFFAOYSA-N 0 1 260.312 2.601 20 10 CFCDMN C[C@H](CCCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000296345339 381354443 /nfs/dbraw/zinc/35/44/43/381354443.db2.gz IBDMYBXTWJKWLV-GHMZBOCLSA-N 0 1 255.333 2.591 20 10 CFCDMN CC[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(C)cc1O ZINC000296458550 381405149 /nfs/dbraw/zinc/40/51/49/381405149.db2.gz NDNNVEICADNTOL-CYBMUJFWSA-N 0 1 286.379 2.937 20 10 CFCDMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(F)c1[O-] ZINC000296642419 381485898 /nfs/dbraw/zinc/48/58/98/381485898.db2.gz YDWXOYNVWLKFMI-WAAKLRNESA-N 0 1 296.361 2.946 20 10 CFCDMN CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000184921776 381497103 /nfs/dbraw/zinc/49/71/03/381497103.db2.gz YUUCLDKTBLPDHJ-LBPRGKRZSA-N 0 1 286.375 2.722 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NC(C)(C)C ZINC000185217806 381566781 /nfs/dbraw/zinc/56/67/81/381566781.db2.gz GJQYZEZTJJDIGY-UWVGGRQHSA-N 0 1 298.814 2.999 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000371529682 381652198 /nfs/dbraw/zinc/65/21/98/381652198.db2.gz UHDAXKQEPFDLAM-AWEZNQCLSA-N 0 1 289.354 2.783 20 10 CFCDMN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185673040 381701380 /nfs/dbraw/zinc/70/13/80/381701380.db2.gz XZKSEBOXZRGWNG-NTZNESFSSA-N 0 1 299.798 2.890 20 10 CFCDMN C[N@@H+](CCc1cnccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293545258 382167341 /nfs/dbraw/zinc/16/73/41/382167341.db2.gz GLDFZWBMGTVNGQ-UHFFFAOYSA-N 0 1 295.745 2.649 20 10 CFCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000187827258 382277669 /nfs/dbraw/zinc/27/76/69/382277669.db2.gz VHCCUPYASFHNIP-VLIAUNLRSA-N 0 1 296.480 2.732 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000187798952 382271096 /nfs/dbraw/zinc/27/10/96/382271096.db2.gz ZAADEQUCFNUQDC-SCZZXKLOSA-N 0 1 295.333 2.984 20 10 CFCDMN Cc1cc(CN2CCOC[C@H]2C2CC2)ccc1N(C)C ZINC000293864199 382312802 /nfs/dbraw/zinc/31/28/02/382312802.db2.gz SDJWYSXMTXZKMO-KRWDZBQOSA-N 0 1 274.408 2.672 20 10 CFCDMN CC[C@@H](c1ccccc1O)N1CCC[C@H]1c1nncn1C ZINC000377694993 382323162 /nfs/dbraw/zinc/32/31/62/382323162.db2.gz LKIDOLYSFLEZTL-KBPBESRZSA-N 0 1 286.379 2.809 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000188333468 382393976 /nfs/dbraw/zinc/39/39/76/382393976.db2.gz AMPNXSAAYIDURQ-BLLLJJGKSA-N 0 1 279.380 2.648 20 10 CFCDMN C[C@H]1CCC[N@@H+]1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000378493349 382472693 /nfs/dbraw/zinc/47/26/93/382472693.db2.gz IOUXPQAOZSAOCW-ZDUSSCGKSA-N 0 1 292.398 2.980 20 10 CFCDMN C[C@H]1CCC[N@H+]1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000378493349 382472695 /nfs/dbraw/zinc/47/26/95/382472695.db2.gz IOUXPQAOZSAOCW-ZDUSSCGKSA-N 0 1 292.398 2.980 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000189299863 382585585 /nfs/dbraw/zinc/58/55/85/382585585.db2.gz GOMYUEHOUNGZKE-NHCYSSNCSA-N 0 1 269.772 2.857 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295234522 382595558 /nfs/dbraw/zinc/59/55/58/382595558.db2.gz OHNZHTCVBNRCNS-CQSZACIVSA-N 0 1 293.407 2.774 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245642671 383018703 /nfs/dbraw/zinc/01/87/03/383018703.db2.gz DXKBGRQLWXVTTA-CHWSQXEVSA-N 0 1 299.823 2.752 20 10 CFCDMN Cn1nccc1[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000281140815 385184157 /nfs/dbraw/zinc/18/41/57/385184157.db2.gz DSLMTKVDAGKJEC-OAHLLOKOSA-N 0 1 289.354 2.992 20 10 CFCDMN CSCCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281572749 385197711 /nfs/dbraw/zinc/19/77/11/385197711.db2.gz ZEPPNGOAMVORFP-UHFFFAOYSA-N 0 1 285.384 2.919 20 10 CFCDMN CSCCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281572749 385197717 /nfs/dbraw/zinc/19/77/17/385197717.db2.gz ZEPPNGOAMVORFP-UHFFFAOYSA-N 0 1 285.384 2.919 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000282180282 385237325 /nfs/dbraw/zinc/23/73/25/385237325.db2.gz FQEUMVUMHXUIRW-GWCFXTLKSA-N 0 1 253.317 2.531 20 10 CFCDMN Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000271751033 385390063 /nfs/dbraw/zinc/39/00/63/385390063.db2.gz VIGGXKVFJCYMGW-YPMHNXCESA-N 0 1 289.297 2.588 20 10 CFCDMN CC(C)(C)N1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000271778766 385391039 /nfs/dbraw/zinc/39/10/39/385391039.db2.gz DFFIWPNDSHBJAM-SNVBAGLBSA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1nc(C(C)(C)NCc2cccc(Cl)c2O)no1 ZINC000271844093 385394289 /nfs/dbraw/zinc/39/42/89/385394289.db2.gz HHFLQGCKSXXAKU-UHFFFAOYSA-N 0 1 281.743 2.762 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000272260935 385491429 /nfs/dbraw/zinc/49/14/29/385491429.db2.gz KCMASJSBYZTLJK-ZDUSSCGKSA-N 0 1 288.322 2.580 20 10 CFCDMN C[C@H](CCO)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000272628291 385579327 /nfs/dbraw/zinc/57/93/27/385579327.db2.gz MXPJAOHHXDRJDW-GFCCVEGCSA-N 0 1 281.371 2.810 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000273370006 385679419 /nfs/dbraw/zinc/67/94/19/385679419.db2.gz CEURULAONQJMJA-VHSXEESVSA-N 0 1 256.777 2.646 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278274864 394060702 /nfs/dbraw/zinc/06/07/02/394060702.db2.gz SFRPVRGHEHOKOA-MNOVXSKESA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278238720 394060807 /nfs/dbraw/zinc/06/08/07/394060807.db2.gz NQGQPIXHCOXPFK-QWRGUYRKSA-N 0 1 294.351 2.929 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000365232421 394229918 /nfs/dbraw/zinc/22/99/18/394229918.db2.gz COQBCHYKJRTSKL-NSHDSACASA-N 0 1 298.789 2.855 20 10 CFCDMN COc1ccc(O)c([C@H](C)N2CCOCC23CCC3)c1 ZINC000367373641 394253990 /nfs/dbraw/zinc/25/39/90/394253990.db2.gz XQGDVNZXJMAZDE-LBPRGKRZSA-N 0 1 277.364 2.717 20 10 CFCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000020123191 171004235 /nfs/dbraw/zinc/00/42/35/171004235.db2.gz PEKCQCYLNHXJAU-CYBMUJFWSA-N 0 1 255.365 2.998 20 10 CFCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000020186292 171050102 /nfs/dbraw/zinc/05/01/02/171050102.db2.gz IMIGJXLFBRNRKU-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000035603013 172292206 /nfs/dbraw/zinc/29/22/06/172292206.db2.gz KBTKBMCUKKUSPJ-GZMMTYOYSA-N 0 1 288.185 2.576 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044145 174051616 /nfs/dbraw/zinc/05/16/16/174051616.db2.gz AMQAXDDQUVQMBS-SNVBAGLBSA-N 0 1 255.745 2.562 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000076749615 177084967 /nfs/dbraw/zinc/08/49/67/177084967.db2.gz XJHUZKOBCREBBX-UHFFFAOYSA-N 0 1 276.380 2.582 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367738659 267114393 /nfs/dbraw/zinc/11/43/93/267114393.db2.gz BRXSQNLMCKRPIB-AAEUAGOBSA-N 0 1 281.783 2.904 20 10 CFCDMN CC(C)C[N@@H+]1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000369852990 267271883 /nfs/dbraw/zinc/27/18/83/267271883.db2.gz PPYWOKLEEYXNLW-UHFFFAOYSA-N 0 1 280.387 2.695 20 10 CFCDMN CC(C)C[N@H+]1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000369852990 267271886 /nfs/dbraw/zinc/27/18/86/267271886.db2.gz PPYWOKLEEYXNLW-UHFFFAOYSA-N 0 1 280.387 2.695 20 10 CFCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180419519 277068695 /nfs/dbraw/zinc/06/86/95/277068695.db2.gz ZKPBNBPADWCQMQ-LLVKDONJSA-N 0 1 283.755 2.573 20 10 CFCDMN C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185109908 279299622 /nfs/dbraw/zinc/29/96/22/279299622.db2.gz BAFVIEVEWCQECN-GHMZBOCLSA-N 0 1 296.798 2.707 20 10 CFCDMN CNC(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273586860 290384902 /nfs/dbraw/zinc/38/49/02/290384902.db2.gz NZIPHOUPOXEOSS-GFCCVEGCSA-N 0 1 286.375 2.722 20 10 CFCDMN [O-]c1ccc2ccccc2c1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375772364 327711791 /nfs/dbraw/zinc/71/17/91/327711791.db2.gz XGCOGOLIDJTYDN-MKZZRHPPSA-N 0 1 269.344 2.527 20 10 CFCDMN Clc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000527653366 330272636 /nfs/dbraw/zinc/27/26/36/330272636.db2.gz SNBAFLITZIGAOR-UHFFFAOYSA-N 0 1 274.751 2.960 20 10 CFCDMN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527767976 330281821 /nfs/dbraw/zinc/28/18/21/330281821.db2.gz ZALLBEHNNFHWDH-YGRLFVJLSA-N 0 1 267.756 2.703 20 10 CFCDMN COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000527793429 330283700 /nfs/dbraw/zinc/28/37/00/330283700.db2.gz LAAMVXAATMLXJV-UHFFFAOYSA-N 0 1 292.766 2.782 20 10 CFCDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527802675 330284203 /nfs/dbraw/zinc/28/42/03/330284203.db2.gz AXCAPRNCZXWNCY-PUXPGTEJSA-N 0 1 269.772 2.947 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000040719060 518288211 /nfs/dbraw/zinc/28/82/11/518288211.db2.gz DULCNOFSHUFAFQ-SECBINFHSA-N 0 1 251.301 2.576 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000040719060 518288217 /nfs/dbraw/zinc/28/82/17/518288217.db2.gz DULCNOFSHUFAFQ-SECBINFHSA-N 0 1 251.301 2.576 20 10 CFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn[nH]1 ZINC000263698556 519655059 /nfs/dbraw/zinc/65/50/59/519655059.db2.gz OBUQMLMBOLCOSM-UHFFFAOYSA-N 0 1 286.379 2.527 20 10 CFCDMN CCCC[N@H+](CCO)Cc1c([O-])cccc1Cl ZINC000159098323 520522103 /nfs/dbraw/zinc/52/21/03/520522103.db2.gz WKTLCVJDFGVNFT-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN CCCC[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000159098323 520522107 /nfs/dbraw/zinc/52/21/07/520522107.db2.gz WKTLCVJDFGVNFT-UHFFFAOYSA-N 0 1 257.761 2.640 20 10 CFCDMN CCOc1ccc(O)c(CNCc2oc(CC)nc2C)c1 ZINC000291854419 521154092 /nfs/dbraw/zinc/15/40/92/521154092.db2.gz VIBYRUVPTIRSPB-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CC1 ZINC000278212442 521329771 /nfs/dbraw/zinc/32/97/71/521329771.db2.gz KMSUTIXZAKGNMK-UHFFFAOYSA-N 0 1 280.324 2.541 20 10 CFCDMN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000036795066 521743718 /nfs/dbraw/zinc/74/37/18/521743718.db2.gz FCCMOXXCXDIUCN-VXGBXAGGSA-N 0 1 286.375 2.721 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278274867 521875537 /nfs/dbraw/zinc/87/55/37/521875537.db2.gz SFRPVRGHEHOKOA-WDEREUQCSA-N 0 1 294.351 2.929 20 10 CFCDMN CN(C)c1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000193462876 522176500 /nfs/dbraw/zinc/17/65/00/522176500.db2.gz RSLYBPHIMWVXOF-OAHLLOKOSA-N 0 1 285.395 2.598 20 10 CFCDMN CCc1nc(CN(C)c2ccc(OC)c(Cl)c2)n[nH]1 ZINC000158897534 522291553 /nfs/dbraw/zinc/29/15/53/522291553.db2.gz PZZRKRWEIFDFEP-UHFFFAOYSA-N 0 1 280.759 2.666 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])OC ZINC000289749226 522548647 /nfs/dbraw/zinc/54/86/47/522548647.db2.gz ICFPOWYJBLMRLT-NSHDSACASA-N 0 1 288.185 2.669 20 10 CFCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc[nH]1 ZINC000299678593 523263370 /nfs/dbraw/zinc/26/33/70/523263370.db2.gz UUFXPFIZXDXHSH-UHFFFAOYSA-N 0 1 298.390 2.672 20 10 CFCDMN CN1CCCc2cc(CNCc3ccco3)ccc21 ZINC000050266791 523862884 /nfs/dbraw/zinc/86/28/84/523862884.db2.gz KISPPTIIYAPJMD-UHFFFAOYSA-N 0 1 256.349 2.952 20 10 CFCDMN CO[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000275296307 523968179 /nfs/dbraw/zinc/96/81/79/523968179.db2.gz YYXGTRQPMDRUTO-CABCVRRESA-N 0 1 295.354 2.781 20 10 CFCDMN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000290165272 524010138 /nfs/dbraw/zinc/01/01/38/524010138.db2.gz MGQAOCFXEBYNGJ-RLCCDNCMSA-N 0 1 287.359 2.610 20 10 CFCDMN CNC(=O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273586865 524065070 /nfs/dbraw/zinc/06/50/70/524065070.db2.gz NZIPHOUPOXEOSS-LBPRGKRZSA-N 0 1 286.375 2.722 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC000191175567 524290921 /nfs/dbraw/zinc/29/09/21/524290921.db2.gz LJTTVZNBENZDHY-QPUJVOFHSA-N 0 1 290.190 2.902 20 10 CFCDMN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000292944241 524343196 /nfs/dbraw/zinc/34/31/96/524343196.db2.gz IBLVURPPGIECFQ-QMTHXVAHSA-N 0 1 269.772 2.686 20 10 CFCDMN Cc1cccc(CN2CCC[C@H]2c2ncc[nH]2)c1O ZINC000368880729 524398167 /nfs/dbraw/zinc/39/81/67/524398167.db2.gz AWBRKOYXPWLMHU-ZDUSSCGKSA-N 0 1 257.337 2.761 20 10 CFCDMN C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000290002293 525372530 /nfs/dbraw/zinc/37/25/30/525372530.db2.gz ZEBUTLZKBPYAJN-VIFPVBQESA-N 0 1 265.744 2.662 20 10 CFCDMN C[C@@H]([NH2+]CC1CCOCC1)c1cc(F)ccc1[O-] ZINC000094618216 525426117 /nfs/dbraw/zinc/42/61/17/525426117.db2.gz SVUCSVSMFJUHHP-SNVBAGLBSA-N 0 1 253.317 2.609 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[O-] ZINC000754567362 574103917 /nfs/dbraw/zinc/10/39/17/574103917.db2.gz PXRMRBRBTCDHCR-JQWIXIFHSA-N 0 1 295.354 2.639 20 10 CFCDMN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1F ZINC000729150038 574179580 /nfs/dbraw/zinc/17/95/80/574179580.db2.gz IDOWZTGUJMRPBH-GXDHUFHOSA-N 0 1 296.301 2.596 20 10 CFCDMN C[N@H+](CCOCC1CC1)Cc1c([O-])ccc2ccncc21 ZINC000755946370 574199757 /nfs/dbraw/zinc/19/97/57/574199757.db2.gz JQCSGYNHHIIFFP-UHFFFAOYSA-N 0 1 286.375 2.799 20 10 CFCDMN C[N@@H+](CCOCC1CC1)Cc1c([O-])ccc2ccncc21 ZINC000755946370 574199758 /nfs/dbraw/zinc/19/97/58/574199758.db2.gz JQCSGYNHHIIFFP-UHFFFAOYSA-N 0 1 286.375 2.799 20 10 CFCDMN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccs1 ZINC000756338456 574226687 /nfs/dbraw/zinc/22/66/87/574226687.db2.gz KZGYZBSNHUGACG-CQSZACIVSA-N 0 1 289.356 2.599 20 10 CFCDMN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccsc1 ZINC000756360989 574229311 /nfs/dbraw/zinc/22/93/11/574229311.db2.gz JZKMTDCIEMIBTI-AWEZNQCLSA-N 0 1 289.356 2.599 20 10 CFCDMN C[C@H]([NH2+]CC1(CCO)CCC1)c1cc(F)ccc1[O-] ZINC000756764675 574261331 /nfs/dbraw/zinc/26/13/31/574261331.db2.gz JVMFLSCBEBISDQ-NSHDSACASA-N 0 1 267.344 2.735 20 10 CFCDMN CCOC(=O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000753586610 574405550 /nfs/dbraw/zinc/40/55/50/574405550.db2.gz BQZZFBJWOUVQSH-UHFFFAOYSA-N 0 1 297.782 2.869 20 10 CFCDMN Cc1ccc(O)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000251175197 604679570 /nfs/dbraw/zinc/67/95/70/604679570.db2.gz SQHLLKXTWZNWOJ-CFVMTHIKSA-N 0 1 289.375 2.918 20 10 CFCDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000833827836 605682823 /nfs/dbraw/zinc/68/28/23/605682823.db2.gz BCEGMNXVRYNVFQ-UWVGGRQHSA-N 0 1 298.770 2.524 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000175811387 617960583 /nfs/dbraw/zinc/96/05/83/617960583.db2.gz JMHKUVPDDLTQDU-VHSXEESVSA-N 0 1 265.328 2.964 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000175811387 617960586 /nfs/dbraw/zinc/96/05/86/617960586.db2.gz JMHKUVPDDLTQDU-VHSXEESVSA-N 0 1 265.328 2.964 20 10 CFCDMN Oc1ccc(Cl)cc1CNCc1nccs1 ZINC000041011930 618003861 /nfs/dbraw/zinc/00/38/61/618003861.db2.gz DVXGCMZBNUBROZ-UHFFFAOYSA-N 0 1 254.742 2.792 20 10 CFCDMN C[C@@H]1OCCN(Cc2cc3c(cc2O)CCCC3)[C@H]1C ZINC000160432615 618064179 /nfs/dbraw/zinc/06/41/79/618064179.db2.gz UKCZWKWPNUCAJU-STQMWFEESA-N 0 1 275.392 2.880 20 10 CFCDMN CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000304017055 618066661 /nfs/dbraw/zinc/06/66/61/618066661.db2.gz CREBAGPEEATFCE-CYBMUJFWSA-N 0 1 257.761 2.542 20 10 CFCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000894006850 618266770 /nfs/dbraw/zinc/26/67/70/618266770.db2.gz YBOXGWCMKCYNOB-UHFFFAOYSA-N 0 1 273.323 2.511 20 10 CFCDMN CCC1(CC)CN(Cc2ccccc2O)CC[S@]1=O ZINC000187561391 618280651 /nfs/dbraw/zinc/28/06/51/618280651.db2.gz CXZNHGUPFVAMIX-LJQANCHMSA-N 0 1 281.421 2.515 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCCCC[C@@H]2CO)c(O)c1 ZINC000895151481 618393659 /nfs/dbraw/zinc/39/36/59/618393659.db2.gz JSXPTMMOSQFKSD-CQSZACIVSA-N 0 1 279.380 2.528 20 10 CFCDMN COc1ccc(N2CCN(CCOC(C)(C)C)CC2)cc1 ZINC000065949349 618398409 /nfs/dbraw/zinc/39/84/09/618398409.db2.gz IYZHRZFPEOGRNG-UHFFFAOYSA-N 0 1 292.423 2.632 20 10 CFCDMN Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C2CC2)n1 ZINC000895155519 618402473 /nfs/dbraw/zinc/40/24/73/618402473.db2.gz KBRGYQQNWHZAOU-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000775988711 618403005 /nfs/dbraw/zinc/40/30/05/618403005.db2.gz ZAPZJCFJVABJEI-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@H]1[C@H](C)[N@H+](Cc2cccc(Cl)c2[O-])CCN1C ZINC000775988711 618403008 /nfs/dbraw/zinc/40/30/08/618403008.db2.gz ZAPZJCFJVABJEI-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@H]1[C@H](C)[N@@H+](Cc2cccc(Cl)c2[O-])CCN1C ZINC000775988711 618403011 /nfs/dbraw/zinc/40/30/11/618403011.db2.gz ZAPZJCFJVABJEI-QWRGUYRKSA-N 0 1 268.788 2.570 20 10 CFCDMN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cccc(Cl)c1O ZINC000776002981 618403022 /nfs/dbraw/zinc/40/30/22/618403022.db2.gz VZLCOVGEWXYRNJ-MFKMUULPSA-N 0 1 297.782 2.819 20 10 CFCDMN Cc1noc([C@H](C)N(C)Cc2cc(F)cc(F)c2O)n1 ZINC000895188301 618449913 /nfs/dbraw/zinc/44/99/13/618449913.db2.gz LDUCXTALCHMATF-ZETCQYMHSA-N 0 1 283.278 2.555 20 10 CFCDMN COC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000307763498 618706346 /nfs/dbraw/zinc/70/63/46/618706346.db2.gz IXSJONGVXMRKSC-AWEZNQCLSA-N 0 1 295.354 2.735 20 10 CFCDMN CC[C@@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840895312 618779465 /nfs/dbraw/zinc/77/94/65/618779465.db2.gz JTSOGCMBXOYMQS-CYBMUJFWSA-N 0 1 257.761 2.605 20 10 CFCDMN COCC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000313297013 618979965 /nfs/dbraw/zinc/97/99/65/618979965.db2.gz ADRYISJIOJIGPL-TZMCWYRMSA-N 0 1 289.375 2.593 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000840939380 619080560 /nfs/dbraw/zinc/08/05/60/619080560.db2.gz NJYVSLIHKDVPCS-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000105460059 619093422 /nfs/dbraw/zinc/09/34/22/619093422.db2.gz XZCAKLUBWYAIGK-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1[O-] ZINC000840979491 619209006 /nfs/dbraw/zinc/20/90/06/619209006.db2.gz SHUHYWUOUALPOJ-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCSC1 ZINC000893928705 619245823 /nfs/dbraw/zinc/24/58/23/619245823.db2.gz DRHJOXLYCSGWPG-JTQLQIEISA-N 0 1 259.321 2.608 20 10 CFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000894421955 619382615 /nfs/dbraw/zinc/38/26/15/619382615.db2.gz YQNGMFHVHSOSNL-IINYFYTJSA-N 0 1 285.334 2.653 20 10 CFCDMN C/C=C/C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894481223 619397819 /nfs/dbraw/zinc/39/78/19/619397819.db2.gz UHDDQAHXSNOVKB-XYBNCVKDSA-N 0 1 271.360 2.962 20 10 CFCDMN CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894497196 619400765 /nfs/dbraw/zinc/40/07/65/619400765.db2.gz VMAPZIIQNJURTQ-LBPRGKRZSA-N 0 1 299.436 2.983 20 10 CFCDMN C[C@@H]1CSCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894560560 619416428 /nfs/dbraw/zinc/41/64/28/619416428.db2.gz ZQBZUEPOMVHQPN-VIFPVBQESA-N 0 1 273.348 2.855 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C2CC2)O1 ZINC000894597594 619428768 /nfs/dbraw/zinc/42/87/68/619428768.db2.gz NZIVKSONDFCOKH-LKFCYVNXSA-N 0 1 283.318 2.670 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCc2ncncc2C1 ZINC000895723576 619591408 /nfs/dbraw/zinc/59/14/08/619591408.db2.gz JMOYSUSXAGHGEQ-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN COCC1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000895969492 619646054 /nfs/dbraw/zinc/64/60/54/619646054.db2.gz CSYYKJHLUIMJSG-UHFFFAOYSA-N 0 1 257.333 2.624 20 10 CFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000896125880 619677159 /nfs/dbraw/zinc/67/71/59/619677159.db2.gz WLWXPVYKOGMWRA-MNOVXSKESA-N 0 1 297.782 2.785 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896377331 619725919 /nfs/dbraw/zinc/72/59/19/619725919.db2.gz HSSUFPGWQQNBNK-NSHDSACASA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896377331 619725921 /nfs/dbraw/zinc/72/59/21/619725921.db2.gz HSSUFPGWQQNBNK-NSHDSACASA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896377331 619725923 /nfs/dbraw/zinc/72/59/23/619725923.db2.gz HSSUFPGWQQNBNK-NSHDSACASA-N 0 1 297.782 2.549 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1Cl ZINC000896552827 619761093 /nfs/dbraw/zinc/76/10/93/619761093.db2.gz JOYUMLAHPBLGIN-MFKMUULPSA-N 0 1 268.788 2.536 20 10 CFCDMN Cc1ccc(CN[C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000896597390 619771773 /nfs/dbraw/zinc/77/17/73/619771773.db2.gz RBGQZWYGWDVGRS-HNNXBMFYSA-N 0 1 269.348 2.732 20 10 CFCDMN CCO[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000897066898 619923991 /nfs/dbraw/zinc/92/39/91/619923991.db2.gz BDNVFLYINXVXJQ-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000897066898 619923992 /nfs/dbraw/zinc/92/39/92/619923992.db2.gz BDNVFLYINXVXJQ-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cccc(O)c1CNCc1cc(C(F)(F)F)n(C)n1 ZINC000898020784 620324264 /nfs/dbraw/zinc/32/42/64/620324264.db2.gz HYDILYXJUGZRBQ-UHFFFAOYSA-N 0 1 299.296 2.743 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(Cl)c1 ZINC000898381058 620379042 /nfs/dbraw/zinc/37/90/42/620379042.db2.gz YBXBMUTZZRZZCG-OCCSQVGLSA-N 0 1 281.783 2.869 20 10 CFCDMN C[C@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927113035 620454954 /nfs/dbraw/zinc/45/49/54/620454954.db2.gz VNVAZVPRGJMLQH-NSHDSACASA-N 0 1 271.364 2.854 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392058 620456776 /nfs/dbraw/zinc/45/67/76/620456776.db2.gz CDDXVCZRJOSTTH-HOCLYGCPSA-N 0 1 289.762 2.794 20 10 CFCDMN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000898482221 620468532 /nfs/dbraw/zinc/46/85/32/620468532.db2.gz VKOUAIDFGGKGQY-MFKMUULPSA-N 0 1 297.782 2.867 20 10 CFCDMN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000903128525 621262961 /nfs/dbraw/zinc/26/29/61/621262961.db2.gz AXAVBWQJNXNQMW-UMNHJUIQSA-N 0 1 281.327 2.524 20 10 CFCDMN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000903393615 621352418 /nfs/dbraw/zinc/35/24/18/621352418.db2.gz QFACEOAUCSJIBB-VDDIYKPWSA-N 0 1 255.745 2.731 20 10 CFCDMN O=C(CCF)NCc1cc(Cl)cc(Cl)c1O ZINC000908212617 622205258 /nfs/dbraw/zinc/20/52/58/622205258.db2.gz QMXKNASOMVBZPX-UHFFFAOYSA-N 0 1 266.099 2.675 20 10 CFCDMN COC(C)(C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164866094 622970847 /nfs/dbraw/zinc/97/08/47/622970847.db2.gz PAPCOSZCULQBMZ-UHFFFAOYSA-N 0 1 288.185 2.669 20 10 CFCDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000822520724 623120941 /nfs/dbraw/zinc/12/09/41/623120941.db2.gz NNQMCMPDBBHKBW-IINYFYTJSA-N 0 1 298.789 2.711 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000230663713 623292034 /nfs/dbraw/zinc/29/20/34/623292034.db2.gz WMBPJRDDJFEYIR-DMDPSCGWSA-N 0 1 267.344 2.733 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CNCc1noc(C2CC2)n1 ZINC000824321943 623490248 /nfs/dbraw/zinc/49/02/48/623490248.db2.gz YALLUEFEFMCNPZ-UHFFFAOYSA-N 0 1 297.717 2.735 20 10 CFCDMN COc1cccc(O)c1CN1CCC[C@@](C)(F)C1 ZINC000824472468 623511034 /nfs/dbraw/zinc/51/10/34/623511034.db2.gz RXIOEHAGQGFRPA-CQSZACIVSA-N 0 1 253.317 2.725 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CNC(CF)CF ZINC000824555479 623523617 /nfs/dbraw/zinc/52/36/17/623523617.db2.gz UWHNJWFBVOFEOX-UHFFFAOYSA-N 0 1 253.651 2.582 20 10 CFCDMN Cc1cc(O)c(CN2CCN(C3CC3)CC2)cc1Cl ZINC000824556412 623524226 /nfs/dbraw/zinc/52/42/26/623524226.db2.gz RYAGOBLOYKUXEM-UHFFFAOYSA-N 0 1 280.799 2.634 20 10 CFCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000824636840 623537198 /nfs/dbraw/zinc/53/71/98/623537198.db2.gz UIKVDNFHILVUBS-NOZJJQNGSA-N 0 1 287.762 2.778 20 10 CFCDMN CN(C)CCN(C(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000824656251 623540643 /nfs/dbraw/zinc/54/06/43/623540643.db2.gz GZOYDFZWUXEPPR-UHFFFAOYSA-N 0 1 290.388 2.662 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696287 623546907 /nfs/dbraw/zinc/54/69/07/623546907.db2.gz KEEQIXTYSDGGTP-BFYDXBDKSA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696287 623546911 /nfs/dbraw/zinc/54/69/11/623546911.db2.gz KEEQIXTYSDGGTP-BFYDXBDKSA-N 0 1 275.392 2.908 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824788164 623565795 /nfs/dbraw/zinc/56/57/95/623565795.db2.gz AUDMCUNKSQJUJT-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN COC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824788164 623565800 /nfs/dbraw/zinc/56/58/00/623565800.db2.gz AUDMCUNKSQJUJT-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824788164 623565808 /nfs/dbraw/zinc/56/58/08/623565808.db2.gz AUDMCUNKSQJUJT-LLVKDONJSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc(O)c(CN(C)Cc2cn[nH]c2)cc1Cl ZINC000824818894 623572316 /nfs/dbraw/zinc/57/23/16/623572316.db2.gz KMLZHDNJYBBVAR-UHFFFAOYSA-N 0 1 265.744 2.709 20 10 CFCDMN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(F)c1 ZINC000151876660 623582281 /nfs/dbraw/zinc/58/22/81/623582281.db2.gz JCSSMVHHWSICIH-UHFFFAOYSA-N 0 1 295.335 2.949 20 10 CFCDMN COc1ccc(O)c(CN2CCc3cccc(OC)c3C2)c1 ZINC000824982167 623600119 /nfs/dbraw/zinc/60/01/19/623600119.db2.gz BNOJJGMDHVZLLC-UHFFFAOYSA-N 0 1 299.370 2.968 20 10 CFCDMN CCc1ncc(CNCc2cc(Cl)ccc2O)o1 ZINC000825079619 623624644 /nfs/dbraw/zinc/62/46/44/623624644.db2.gz XCTKJKOSWSDSDW-UHFFFAOYSA-N 0 1 266.728 2.886 20 10 CFCDMN CCc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000825079619 623624647 /nfs/dbraw/zinc/62/46/47/623624647.db2.gz XCTKJKOSWSDSDW-UHFFFAOYSA-N 0 1 266.728 2.886 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C)C2)cc1Cl ZINC000825131104 623636737 /nfs/dbraw/zinc/63/67/37/623636737.db2.gz KCGRYFQVAUPMDJ-LBPRGKRZSA-N 0 1 268.788 2.538 20 10 CFCDMN CCC(O)(CC)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825166944 623643089 /nfs/dbraw/zinc/64/30/89/623643089.db2.gz GGLGDFWKNPDVHS-UHFFFAOYSA-N 0 1 271.788 2.995 20 10 CFCDMN CN(C)c1ccc(CNCc2cnc(C3CC3)o2)cc1 ZINC000825172258 623644027 /nfs/dbraw/zinc/64/40/27/623644027.db2.gz MYBHECKWBMEFBQ-UHFFFAOYSA-N 0 1 271.364 2.908 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000825246717 623658387 /nfs/dbraw/zinc/65/83/87/623658387.db2.gz HARISLMMAYBWEA-GFCCVEGCSA-N 0 1 280.799 2.680 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2ncccc2OC)c1 ZINC000825249332 623658497 /nfs/dbraw/zinc/65/84/97/623658497.db2.gz BZDKIYUHSSWGJA-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CC[S@@](C)=O)cc1Cl ZINC000825341255 623675677 /nfs/dbraw/zinc/67/56/77/623675677.db2.gz FFHSEHIGYISSJR-MLCYQJTMSA-N 0 1 289.828 2.601 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338805 623676717 /nfs/dbraw/zinc/67/67/17/623676717.db2.gz UTHFHOMMPSOBCK-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338805 623676720 /nfs/dbraw/zinc/67/67/20/623676720.db2.gz UTHFHOMMPSOBCK-NSHDSACASA-N 0 1 269.772 2.640 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCCCCO)cc1Cl ZINC000825406496 623687992 /nfs/dbraw/zinc/68/79/92/623687992.db2.gz TXYSSCXXTILKCJ-UHFFFAOYSA-N 0 1 271.788 2.996 20 10 CFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@@H]1OC ZINC000825513265 623706317 /nfs/dbraw/zinc/70/63/17/623706317.db2.gz GBDNBIAEAZSJOQ-CFVMTHIKSA-N 0 1 299.798 2.636 20 10 CFCDMN CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825651388 623731353 /nfs/dbraw/zinc/73/13/53/623731353.db2.gz HVHQAWFVTFHDIO-IUCAKERBSA-N 0 1 288.185 2.668 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000826023772 623783855 /nfs/dbraw/zinc/78/38/55/623783855.db2.gz GGVDPUHAQKQVFQ-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000826023772 623783857 /nfs/dbraw/zinc/78/38/57/623783857.db2.gz GGVDPUHAQKQVFQ-GFCCVEGCSA-N 0 1 269.772 2.701 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](O)C(F)F ZINC000826043707 623786822 /nfs/dbraw/zinc/78/68/22/623786822.db2.gz PCNYEIYRWHBUTB-CMPLNLGQSA-N 0 1 293.741 2.848 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)C(F)F ZINC000826043709 623786962 /nfs/dbraw/zinc/78/69/62/623786962.db2.gz PCNYEIYRWHBUTB-PWSUYJOCSA-N 0 1 293.741 2.848 20 10 CFCDMN CCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])COC1 ZINC000826089878 623793073 /nfs/dbraw/zinc/79/30/73/623793073.db2.gz QQTKQYKFCGIYQR-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1Cl ZINC000826097011 623793895 /nfs/dbraw/zinc/79/38/95/623793895.db2.gz LWHRYNCHYAAQNZ-ZWNOBZJWSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1Cl ZINC000826130047 623796728 /nfs/dbraw/zinc/79/67/28/623796728.db2.gz DFVACHHTLOAEGF-CMPLNLGQSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1Cl ZINC000826130047 623796730 /nfs/dbraw/zinc/79/67/30/623796730.db2.gz DFVACHHTLOAEGF-CMPLNLGQSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1Cl ZINC000826130050 623797025 /nfs/dbraw/zinc/79/70/25/623797025.db2.gz DFVACHHTLOAEGF-ZYHUDNBSSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)cc1Cl ZINC000826130050 623797027 /nfs/dbraw/zinc/79/70/27/623797027.db2.gz DFVACHHTLOAEGF-ZYHUDNBSSA-N 0 1 283.799 2.804 20 10 CFCDMN COCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000826535512 623807025 /nfs/dbraw/zinc/80/70/25/623807025.db2.gz YTZLPQVUJWNDPM-UHFFFAOYSA-N 0 1 269.772 2.870 20 10 CFCDMN COC[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000826840194 623888535 /nfs/dbraw/zinc/88/85/35/623888535.db2.gz VXXZXBYIIUJUJT-HNNXBMFYSA-N 0 1 289.375 2.687 20 10 CFCDMN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000834826611 623900218 /nfs/dbraw/zinc/90/02/18/623900218.db2.gz FRLXXAJCEPHRFV-XCBNKYQSSA-N 0 1 274.267 2.995 20 10 CFCDMN C[C@]12COC[C@@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284746 623981298 /nfs/dbraw/zinc/98/12/98/623981298.db2.gz WGALRCBHUUDLJF-HZMBPMFUSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@]12COC[C@@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284746 623981299 /nfs/dbraw/zinc/98/12/99/623981299.db2.gz WGALRCBHUUDLJF-HZMBPMFUSA-N 0 1 267.756 2.514 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000827507702 624020247 /nfs/dbraw/zinc/02/02/47/624020247.db2.gz ZAZVBGCACWZWRY-RKDXNWHRSA-N 0 1 282.727 2.796 20 10 CFCDMN Cc1cc(O)c(CN[C@H](C)c2nccn2C)cc1Cl ZINC000827722159 624075862 /nfs/dbraw/zinc/07/58/62/624075862.db2.gz BHAYKYZRFMDQMN-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1(CO)CC1 ZINC000827903975 624126109 /nfs/dbraw/zinc/12/61/09/624126109.db2.gz RSRBSIGDSPKZDX-UHFFFAOYSA-N 0 1 257.333 2.502 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1(CO)CC1 ZINC000827903975 624126110 /nfs/dbraw/zinc/12/61/10/624126110.db2.gz RSRBSIGDSPKZDX-UHFFFAOYSA-N 0 1 257.333 2.502 20 10 CFCDMN C[C@H](NCc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000154106600 624270250 /nfs/dbraw/zinc/27/02/50/624270250.db2.gz CCNPCRIUAKWRQY-ZDUSSCGKSA-N 0 1 294.358 2.824 20 10 CFCDMN Oc1ccc2ccncc2c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000917449774 624344774 /nfs/dbraw/zinc/34/47/74/624344774.db2.gz QUVBLSCFCWVQOJ-CYBMUJFWSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000917449774 624344777 /nfs/dbraw/zinc/34/47/77/624344777.db2.gz QUVBLSCFCWVQOJ-CYBMUJFWSA-N 0 1 298.386 2.941 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000917449774 624344779 /nfs/dbraw/zinc/34/47/79/624344779.db2.gz QUVBLSCFCWVQOJ-CYBMUJFWSA-N 0 1 298.386 2.941 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831527542 625042336 /nfs/dbraw/zinc/04/23/36/625042336.db2.gz GGFWLQYAYGRVQY-BONVTDFDSA-N 0 1 295.354 2.591 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831527542 625042347 /nfs/dbraw/zinc/04/23/47/625042347.db2.gz GGFWLQYAYGRVQY-BONVTDFDSA-N 0 1 295.354 2.591 20 10 CFCDMN Oc1ccccc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000180906785 625046812 /nfs/dbraw/zinc/04/68/12/625046812.db2.gz WMZACJTVTREEDU-QGZVFWFLSA-N 0 1 283.371 2.836 20 10 CFCDMN C[C@@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000181404140 625131221 /nfs/dbraw/zinc/13/12/21/625131221.db2.gz KHQJDBWIEUEPAT-SECBINFHSA-N 0 1 285.771 2.865 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC1(F)F ZINC000832058849 625212188 /nfs/dbraw/zinc/21/21/88/625212188.db2.gz FBTAWESCAOZJIT-SSDOTTSWSA-N 0 1 296.100 2.970 20 10 CFCDMN Cc1cccn2cc(CNCc3ccc(N(C)C)cc3)nc12 ZINC000072980150 625751870 /nfs/dbraw/zinc/75/18/70/625751870.db2.gz FOTZEBLDKGQLJE-UHFFFAOYSA-N 0 1 294.402 2.999 20 10 CFCDMN C[C@H](N[C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769569 625845302 /nfs/dbraw/zinc/84/53/02/625845302.db2.gz NTGFUZUOUNQHJA-SWLSCSKDSA-N 0 1 270.380 2.745 20 10 CFCDMN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834880634 625907792 /nfs/dbraw/zinc/90/77/92/625907792.db2.gz LCXNYFLTQLIHBX-UEKVPHQBSA-N 0 1 299.798 2.748 20 10 CFCDMN CCn1ccnc1[C@@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000834895799 625912703 /nfs/dbraw/zinc/91/27/03/625912703.db2.gz RMRGYNDPSUKURO-DGCLKSJQSA-N 0 1 271.364 2.947 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834904993 625917180 /nfs/dbraw/zinc/91/71/80/625917180.db2.gz DPYPEVRJAAEXGV-OTYXRUKQSA-N 0 1 269.772 2.857 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413872 625953480 /nfs/dbraw/zinc/95/34/80/625953480.db2.gz CAAVSWYCVWZSDS-UHFFFAOYSA-N 0 1 269.772 2.830 20 10 CFCDMN Cc1nccnc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922328871 626271356 /nfs/dbraw/zinc/27/13/56/626271356.db2.gz VDWYSNPETPWOMY-ZDUSSCGKSA-N 0 1 283.375 2.961 20 10 CFCDMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1N(C)C ZINC000923251630 626460049 /nfs/dbraw/zinc/46/00/49/626460049.db2.gz GCYGLUUCLYFROU-ZFWWWQNUSA-N 0 1 290.407 2.746 20 10 CFCDMN Oc1ccc(F)cc1CN1CC(CC(F)(F)F)C1 ZINC000839138333 626528331 /nfs/dbraw/zinc/52/83/31/626528331.db2.gz OVBODYGPHQGTAM-UHFFFAOYSA-N 0 1 263.234 2.916 20 10 CFCDMN Cc1cc(O)c(CN[C@@H](C)c2ccn(C)n2)cc1C ZINC000839191432 626530688 /nfs/dbraw/zinc/53/06/88/626530688.db2.gz PAMBEPXQIASGIZ-LBPRGKRZSA-N 0 1 259.353 2.593 20 10 CFCDMN COC1([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CCC1 ZINC000839660321 626550066 /nfs/dbraw/zinc/55/00/66/626550066.db2.gz KZOPNLJQGXIXIR-NSHDSACASA-N 0 1 295.354 2.781 20 10 CFCDMN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000760883134 626781191 /nfs/dbraw/zinc/78/11/91/626781191.db2.gz AFUMATKIUYWZQU-WDBKCZKBSA-N 0 1 299.798 2.890 20 10 CFCDMN CN(C)c1ccc(CN2CCOCC3(CCC3)C2)cc1F ZINC000761225018 626817053 /nfs/dbraw/zinc/81/70/53/626817053.db2.gz FTKCDKDDVNCTAS-UHFFFAOYSA-N 0 1 292.398 2.894 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000761228548 626817560 /nfs/dbraw/zinc/81/75/60/626817560.db2.gz KVYBKRATXFLNHQ-LLVKDONJSA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1[O-] ZINC000762650679 626928459 /nfs/dbraw/zinc/92/84/59/626928459.db2.gz RDLMCOAEHKPMEU-BMQDGWLCSA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000768280044 627329972 /nfs/dbraw/zinc/32/99/72/627329972.db2.gz NQVXFDATUHEREZ-UHFFFAOYSA-N 0 1 298.751 2.550 20 10 CFCDMN COc1ccc2c(c1)CN(Cc1c(O)cccc1OC)CC2 ZINC000769120996 627405259 /nfs/dbraw/zinc/40/52/59/627405259.db2.gz NJUJZRZRBGGBAF-UHFFFAOYSA-N 0 1 299.370 2.968 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])C1CCN(C(C)=O)CC1 ZINC000769201411 627412130 /nfs/dbraw/zinc/41/21/30/627412130.db2.gz TZOHMLIPTLDZMX-UHFFFAOYSA-N 0 1 290.407 2.615 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])C1CCN(C(C)=O)CC1 ZINC000769201411 627412132 /nfs/dbraw/zinc/41/21/32/627412132.db2.gz TZOHMLIPTLDZMX-UHFFFAOYSA-N 0 1 290.407 2.615 20 10 CFCDMN c1n[nH]c2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000769469071 627444520 /nfs/dbraw/zinc/44/45/20/627444520.db2.gz RNYFMBMKPSWMRC-UHFFFAOYSA-N 0 1 296.418 2.958 20 10 CFCDMN CC[C@@H]([NH2+]CCOCCOC)c1cc(Cl)ccc1[O-] ZINC000775488048 628030590 /nfs/dbraw/zinc/03/05/90/628030590.db2.gz GHGIVFVBFDSMLF-CYBMUJFWSA-N 0 1 287.787 2.749 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775523209 628034037 /nfs/dbraw/zinc/03/40/37/628034037.db2.gz FFGZEQWAUPUPON-ZYHUDNBSSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nccn1C ZINC000775578772 628043273 /nfs/dbraw/zinc/04/32/73/628043273.db2.gz ZZBJRWGNVCULLN-QWHCGFSZSA-N 0 1 272.396 2.898 20 10 CFCDMN CCn1cc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC000775700384 628056590 /nfs/dbraw/zinc/05/65/90/628056590.db2.gz OBHLNBWZQAQURA-UHFFFAOYSA-N 0 1 279.771 2.894 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000775699726 628056660 /nfs/dbraw/zinc/05/66/60/628056660.db2.gz COMJTPNJFTUGLO-PHIMTYICSA-N 0 1 271.719 2.548 20 10 CFCDMN CC[N@H+]1C[C@H](C)N(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775713979 628058674 /nfs/dbraw/zinc/05/86/74/628058674.db2.gz XZUWOIZMWKVMOE-RYUDHWBXSA-N 0 1 282.815 2.960 20 10 CFCDMN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(C)c(C)cc1O ZINC000775997827 628092274 /nfs/dbraw/zinc/09/22/74/628092274.db2.gz DIDGSCWBDZNJPB-IAQYHMDHSA-N 0 1 291.391 2.783 20 10 CFCDMN Cc1cc(CNCc2cc(Cl)cc(C)c2O)ncn1 ZINC000776254112 628123141 /nfs/dbraw/zinc/12/31/41/628123141.db2.gz SLIPJXLLKJXYFI-UHFFFAOYSA-N 0 1 277.755 2.742 20 10 CFCDMN Cc1cc(O)c(CN(C)CC(=O)NC(C)C)cc1C(C)C ZINC000008184021 634639566 /nfs/dbraw/zinc/63/95/66/634639566.db2.gz KQLKANBMRDCLHN-UHFFFAOYSA-N 0 1 292.423 2.780 20 10 CFCDMN COc1cc(O)c(CN2CC[C@H](C)[C@@H](F)C2)cc1OC ZINC000777969412 628269354 /nfs/dbraw/zinc/26/93/54/628269354.db2.gz RSJWCDPOIGLHEP-JQWIXIFHSA-N 0 1 283.343 2.589 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1[O-] ZINC000779061063 628348760 /nfs/dbraw/zinc/34/87/60/628348760.db2.gz IYDONVZDGZLAIS-JQWIXIFHSA-N 0 1 291.782 2.908 20 10 CFCDMN Cc1ccc2nc(CNCc3cc(F)ccc3O)cn2c1 ZINC000779072413 628350136 /nfs/dbraw/zinc/35/01/36/628350136.db2.gz LBFAOMQQVGUMMO-UHFFFAOYSA-N 0 1 285.322 2.777 20 10 CFCDMN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1F ZINC000779148293 628355601 /nfs/dbraw/zinc/35/56/01/628355601.db2.gz HQOOPNMCXXJCBF-DOMZBBRYSA-N 0 1 250.361 2.933 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000779202993 628358834 /nfs/dbraw/zinc/35/88/34/628358834.db2.gz UNWRPSOVMDDGGV-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN Cc1nccnc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000783238147 628690948 /nfs/dbraw/zinc/69/09/48/628690948.db2.gz QUYDBXNGHRZVLD-GFCCVEGCSA-N 0 1 269.348 2.571 20 10 CFCDMN COc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c(O)cc1C ZINC000783543679 628718886 /nfs/dbraw/zinc/71/88/86/628718886.db2.gz NZKWUBOHJIUFCU-AVGNSLFASA-N 0 1 279.380 2.707 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789541596 629164632 /nfs/dbraw/zinc/16/46/32/629164632.db2.gz NZKHHNOTWOXUFF-SFHVURJKSA-N 0 1 298.386 2.943 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789541596 629164636 /nfs/dbraw/zinc/16/46/36/629164636.db2.gz NZKHHNOTWOXUFF-SFHVURJKSA-N 0 1 298.386 2.943 20 10 CFCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cn[nH]c2)cc1 ZINC000835029795 629326209 /nfs/dbraw/zinc/32/62/09/629326209.db2.gz SMNXSCVMMRFLJG-SNAWJCMRSA-N 0 1 270.380 2.621 20 10 CFCDMN CC(C)N(C/C=C/c1ccc(N(C)C)cc1)C1COC1 ZINC000835054266 629355784 /nfs/dbraw/zinc/35/57/84/629355784.db2.gz IHLBNHRSSURLLE-AATRIKPKSA-N 0 1 274.408 2.875 20 10 CFCDMN CCC1CN(Cc2cc(Br)ccc2O)C1 ZINC000835073522 629370771 /nfs/dbraw/zinc/37/07/71/629370771.db2.gz CEHMPWWPXLYCSO-UHFFFAOYSA-N 0 1 270.170 2.997 20 10 CFCDMN CCC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000835075663 629374792 /nfs/dbraw/zinc/37/47/92/629374792.db2.gz XUPLFWXZAPOFSZ-UHFFFAOYSA-N 0 1 255.745 2.896 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+](CCO)C1CCCC1 ZINC000792156447 629403720 /nfs/dbraw/zinc/40/37/20/629403720.db2.gz FYJLAPVAFVKWEI-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@H]1COC2(CCC2)CN1Cc1ccc(N(C)C)cc1 ZINC000852442973 634746895 /nfs/dbraw/zinc/74/68/95/634746895.db2.gz IYNBKMVQDVONAR-CQSZACIVSA-N 0 1 274.408 2.896 20 10 CFCDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCC(C)(C)C1 ZINC000794688632 629675860 /nfs/dbraw/zinc/67/58/60/629675860.db2.gz YXTFPMIXZUHVEP-IUODEOHRSA-N 0 1 291.391 2.829 20 10 CFCDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCC(C)(C)C1 ZINC000794688632 629675863 /nfs/dbraw/zinc/67/58/63/629675863.db2.gz YXTFPMIXZUHVEP-IUODEOHRSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@H](NCc1ccccc1O)c1c(F)cncc1F ZINC000796527677 629930441 /nfs/dbraw/zinc/93/04/41/629930441.db2.gz WYTGBZSEELAXGQ-VIFPVBQESA-N 0 1 264.275 2.916 20 10 CFCDMN C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccn(C)n1 ZINC000840816496 631230988 /nfs/dbraw/zinc/23/09/88/631230988.db2.gz OJTANKLGCMQNFC-NXEZZACHSA-N 0 1 263.316 2.677 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000840874849 631248298 /nfs/dbraw/zinc/24/82/98/631248298.db2.gz ARTNURRBCFNYMI-JTQLQIEISA-N 0 1 255.745 2.623 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)Cn2cccn2)c(Cl)c1 ZINC000840883015 631250581 /nfs/dbraw/zinc/25/05/81/631250581.db2.gz YDOMTCLZFRBALG-LBPRGKRZSA-N 0 1 293.798 2.976 20 10 CFCDMN CC[C@H](C)[C@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896154 631255146 /nfs/dbraw/zinc/25/51/46/631255146.db2.gz FUEFLPOCJSKGEX-IINYFYTJSA-N 0 1 271.788 2.851 20 10 CFCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C)nn1 ZINC000840908035 631258956 /nfs/dbraw/zinc/25/89/56/631258956.db2.gz NBBJMPHABHJFJT-UHFFFAOYSA-N 0 1 284.407 2.873 20 10 CFCDMN COC(=O)C(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908491 631259421 /nfs/dbraw/zinc/25/94/21/631259421.db2.gz ZYMMUMNIKLKCPK-UHFFFAOYSA-N 0 1 285.771 2.643 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000809693115 631265130 /nfs/dbraw/zinc/26/51/30/631265130.db2.gz OFYKCMOPLMFMQL-SECBINFHSA-N 0 1 273.735 2.796 20 10 CFCDMN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000809701495 631267923 /nfs/dbraw/zinc/26/79/23/631267923.db2.gz YAVYIMOVGWTOAK-ZIAGYGMSSA-N 0 1 293.407 2.916 20 10 CFCDMN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000809701495 631267930 /nfs/dbraw/zinc/26/79/30/631267930.db2.gz YAVYIMOVGWTOAK-ZIAGYGMSSA-N 0 1 293.407 2.916 20 10 CFCDMN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000809701491 631268003 /nfs/dbraw/zinc/26/80/03/631268003.db2.gz YAVYIMOVGWTOAK-KGLIPLIRSA-N 0 1 293.407 2.916 20 10 CFCDMN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000809701491 631268004 /nfs/dbraw/zinc/26/80/04/631268004.db2.gz YAVYIMOVGWTOAK-KGLIPLIRSA-N 0 1 293.407 2.916 20 10 CFCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)[C@@H]1OC ZINC000840938698 631270634 /nfs/dbraw/zinc/27/06/34/631270634.db2.gz FKGIODMLLOZCMZ-CFVMTHIKSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(C)(CO)CC2)c(Cl)c1 ZINC000840939550 631272203 /nfs/dbraw/zinc/27/22/03/631272203.db2.gz NOTOWDPHDSPDLN-UHFFFAOYSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1nnsc1CNCc1ccc(N(C)C)cc1C ZINC000840949914 631276478 /nfs/dbraw/zinc/27/64/78/631276478.db2.gz GFZKLGXCRWZDEF-UHFFFAOYSA-N 0 1 276.409 2.511 20 10 CFCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C1CC1 ZINC000809751495 631281377 /nfs/dbraw/zinc/28/13/77/631281377.db2.gz IIKPLAQMVVLPNZ-GFCCVEGCSA-N 0 1 290.190 2.902 20 10 CFCDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1csnn1 ZINC000840969340 631288667 /nfs/dbraw/zinc/28/86/67/631288667.db2.gz CNTFVLWAELUTJD-ZCFIWIBFSA-N 0 1 287.747 2.887 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1O ZINC000840997741 631297673 /nfs/dbraw/zinc/29/76/73/631297673.db2.gz IXUFURXMBXEXDL-SWHYSGLUSA-N 0 1 293.338 2.749 20 10 CFCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)c1O ZINC000840997741 631297679 /nfs/dbraw/zinc/29/76/79/631297679.db2.gz IXUFURXMBXEXDL-SWHYSGLUSA-N 0 1 293.338 2.749 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000840998220 631298075 /nfs/dbraw/zinc/29/80/75/631298075.db2.gz YTRCTTQFVLNSNM-UHFFFAOYSA-N 0 1 278.396 2.828 20 10 CFCDMN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841744744 631463399 /nfs/dbraw/zinc/46/33/99/631463399.db2.gz KISCLRMEEAHJQW-QUBYGPBYSA-N 0 1 283.677 2.619 20 10 CFCDMN COCC1([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841749212 631464068 /nfs/dbraw/zinc/46/40/68/631464068.db2.gz BOTBHJDKWJEHLR-VIFPVBQESA-N 0 1 255.745 2.875 20 10 CFCDMN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750727 631465192 /nfs/dbraw/zinc/46/51/92/631465192.db2.gz ADCBEAXTCVYCLR-GXSJLCMTSA-N 0 1 257.761 2.857 20 10 CFCDMN Cc1c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC000841752449 631465468 /nfs/dbraw/zinc/46/54/68/631465468.db2.gz STVIYPJTIAFJKZ-SECBINFHSA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759529 631468118 /nfs/dbraw/zinc/46/81/18/631468118.db2.gz ZISGACCBIWYBSV-UWVGGRQHSA-N 0 1 256.777 2.646 20 10 CFCDMN CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765292 631469870 /nfs/dbraw/zinc/46/98/70/631469870.db2.gz XOUOTKCKHMUCFX-NOZJJQNGSA-N 0 1 257.761 2.713 20 10 CFCDMN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000842755383 631730238 /nfs/dbraw/zinc/73/02/38/631730238.db2.gz YBYFFMOQJVYPAX-MNOVXSKESA-N 0 1 271.788 2.932 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043854 631811448 /nfs/dbraw/zinc/81/14/48/631811448.db2.gz LRTNXHKELSWNHW-UHFFFAOYSA-N 0 1 298.789 2.901 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC[C@H]2C2CCC2)c1 ZINC000843428458 631955653 /nfs/dbraw/zinc/95/56/53/631955653.db2.gz JODZYLPCETZKIT-INIZCTEOSA-N 0 1 291.391 2.792 20 10 CFCDMN OCC[C@H](NCc1cc(F)ccc1O)c1ccccc1F ZINC000843430450 631956615 /nfs/dbraw/zinc/95/66/15/631956615.db2.gz VMBPMFPKOVRXOU-HNNXBMFYSA-N 0 1 293.313 2.884 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](C)OC3(CCC3)C2)c1 ZINC000843434651 631958740 /nfs/dbraw/zinc/95/87/40/631958740.db2.gz CNLSGSJSNBLSJM-ZDUSSCGKSA-N 0 1 291.391 2.934 20 10 CFCDMN CCOCc1cc(CN[C@@H](C)CF)ccc1OC ZINC000814299812 632050343 /nfs/dbraw/zinc/05/03/43/632050343.db2.gz CZYBKGPDWSMGQJ-NSHDSACASA-N 0 1 255.333 2.679 20 10 CFCDMN Cc1cc(CN2CCOCC2(C)C)ccc1N(C)C ZINC000815023547 632188061 /nfs/dbraw/zinc/18/80/61/632188061.db2.gz AYRPWXMDXUOXQR-UHFFFAOYSA-N 0 1 262.397 2.672 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2ccccn2)cc1 ZINC000844399515 632195094 /nfs/dbraw/zinc/19/50/94/632195094.db2.gz KZKBZRQOELSBPY-UHFFFAOYSA-N 0 1 285.391 2.658 20 10 CFCDMN C[C@@H](NCC(C)(F)F)c1cc(F)cc(F)c1O ZINC000815644854 632304462 /nfs/dbraw/zinc/30/44/62/632304462.db2.gz NNQZGCASNCRRGV-ZCFIWIBFSA-N 0 1 251.223 2.976 20 10 CFCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000844938667 632342560 /nfs/dbraw/zinc/34/25/60/632342560.db2.gz VWFJGICSXSHAHP-LLVKDONJSA-N 0 1 271.744 2.649 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816521126 632478533 /nfs/dbraw/zinc/47/85/33/632478533.db2.gz HTZFLGJDAWEFRU-BLLLJJGKSA-N 0 1 271.360 2.748 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816521126 632478536 /nfs/dbraw/zinc/47/85/36/632478536.db2.gz HTZFLGJDAWEFRU-BLLLJJGKSA-N 0 1 271.360 2.748 20 10 CFCDMN [O-]c1c(C[NH2+]CCCn2ccnc2)ccc2ccccc21 ZINC000816528515 632479758 /nfs/dbraw/zinc/47/97/58/632479758.db2.gz GLCODFIVPILGDW-UHFFFAOYSA-N 0 1 281.359 2.922 20 10 CFCDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571419 632488292 /nfs/dbraw/zinc/48/82/92/632488292.db2.gz CYFWUUIFKBQGMM-UWVGGRQHSA-N 0 1 286.778 2.709 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000816662314 632507195 /nfs/dbraw/zinc/50/71/95/632507195.db2.gz MHABPFNLJSMSBJ-QGZVFWFLSA-N 0 1 293.407 2.631 20 10 CFCDMN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000816662314 632507198 /nfs/dbraw/zinc/50/71/98/632507198.db2.gz MHABPFNLJSMSBJ-QGZVFWFLSA-N 0 1 293.407 2.631 20 10 CFCDMN COc1cccc([O-])c1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000816662314 632507200 /nfs/dbraw/zinc/50/72/00/632507200.db2.gz MHABPFNLJSMSBJ-QGZVFWFLSA-N 0 1 293.407 2.631 20 10 CFCDMN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846016709 632615620 /nfs/dbraw/zinc/61/56/20/632615620.db2.gz IUWDZKHNGORFGE-GXFFZTMASA-N 0 1 271.788 2.932 20 10 CFCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412652 632624363 /nfs/dbraw/zinc/62/43/63/632624363.db2.gz NRLHPWXRVATEFX-UWVGGRQHSA-N 0 1 287.762 2.635 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2ccoc2)cc1 ZINC000846051509 632624520 /nfs/dbraw/zinc/62/45/20/632624520.db2.gz IOFBYAGDVHALFA-UHFFFAOYSA-N 0 1 274.364 2.856 20 10 CFCDMN CC(C)OC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055783 632625338 /nfs/dbraw/zinc/62/53/38/632625338.db2.gz NTFFWZDJLTZBFH-JTQLQIEISA-N 0 1 257.761 2.949 20 10 CFCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000817414468 632625440 /nfs/dbraw/zinc/62/54/40/632625440.db2.gz LJEIQWZJPHUVFA-RKDXNWHRSA-N 0 1 273.735 2.530 20 10 CFCDMN C[N@H+](CCN1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC000846115575 632636926 /nfs/dbraw/zinc/63/69/26/632636926.db2.gz XKXCXOFQTMKIEU-UHFFFAOYSA-N 0 1 282.815 2.963 20 10 CFCDMN C[N@@H+](CCN1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC000846115575 632636931 /nfs/dbraw/zinc/63/69/31/632636931.db2.gz XKXCXOFQTMKIEU-UHFFFAOYSA-N 0 1 282.815 2.963 20 10 CFCDMN COc1cccc([C@@H](C)NCc2cccnc2F)c1O ZINC000846167017 632651926 /nfs/dbraw/zinc/65/19/26/632651926.db2.gz GEKRBRFRINHBHM-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846193752 632658984 /nfs/dbraw/zinc/65/89/84/632658984.db2.gz OBHPGCOBKHLLPJ-DZGCQCFKSA-N 0 1 299.798 2.628 20 10 CFCDMN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000846215098 632662616 /nfs/dbraw/zinc/66/26/16/632662616.db2.gz XLCLGQIPSIFKEP-IAQYHMDHSA-N 0 1 299.798 2.628 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000846273881 632679126 /nfs/dbraw/zinc/67/91/26/632679126.db2.gz FJSTWGOVECVMHG-QGZVFWFLSA-N 0 1 290.407 2.829 20 10 CFCDMN CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817952564 632752381 /nfs/dbraw/zinc/75/23/81/632752381.db2.gz FWFYFBPGWGDVRS-GXFFZTMASA-N 0 1 268.788 2.838 20 10 CFCDMN CC[C@H](NC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1[O-] ZINC000817952566 632752917 /nfs/dbraw/zinc/75/29/17/632752917.db2.gz FWFYFBPGWGDVRS-MFKMUULPSA-N 0 1 268.788 2.838 20 10 CFCDMN CC[C@@H]([NH2+]C1CNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955891 632755774 /nfs/dbraw/zinc/75/57/74/632755774.db2.gz KFLYGZDRXRJLDU-LLVKDONJSA-N 0 1 275.179 2.712 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H](N)CC)c1cccc(Cl)c1[O-] ZINC000817979709 632776737 /nfs/dbraw/zinc/77/67/37/632776737.db2.gz NIMMLSSPORGKGM-JOYOIKCWSA-N 0 1 256.777 2.824 20 10 CFCDMN CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981892 632778809 /nfs/dbraw/zinc/77/88/09/632778809.db2.gz WUGOAPYZUSKBSQ-YPMHNXCESA-N 0 1 288.313 2.569 20 10 CFCDMN CCn1nc(C)c(CN[C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000818344430 632833270 /nfs/dbraw/zinc/83/32/70/632833270.db2.gz CQPDDPUVBFKHFW-ZDUSSCGKSA-N 0 1 288.395 2.780 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000818358334 632837167 /nfs/dbraw/zinc/83/71/67/632837167.db2.gz VQYYEVFPVPIJED-NQBHXWOUSA-N 0 1 255.745 2.610 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1C ZINC000818631357 632884632 /nfs/dbraw/zinc/88/46/32/632884632.db2.gz GBFRZOJDMZMDNM-BMIGLBTASA-N 0 1 277.364 2.694 20 10 CFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C(=O)[O-] ZINC000818631060 632885263 /nfs/dbraw/zinc/88/52/63/632885263.db2.gz BHMYPODHXAJSBL-NOZJJQNGSA-N 0 1 283.755 2.731 20 10 CFCDMN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000848639295 633305487 /nfs/dbraw/zinc/30/54/87/633305487.db2.gz GTXSNAKZOLNNIP-SECBINFHSA-N 0 1 289.734 2.631 20 10 CFCDMN C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639698 633306015 /nfs/dbraw/zinc/30/60/15/633306015.db2.gz JLJBBSJVOOLUHQ-ADEWGFFLSA-N 0 1 295.354 2.756 20 10 CFCDMN C[C@@H](O)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000848928641 633412530 /nfs/dbraw/zinc/41/25/30/633412530.db2.gz JLKMVUZPXGMJSB-MRVPVSSYSA-N 0 1 273.735 2.530 20 10 CFCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000849048610 633480310 /nfs/dbraw/zinc/48/03/10/633480310.db2.gz KGWWQWKKHGXDSO-UHFFFAOYSA-N 0 1 267.760 2.556 20 10 CFCDMN C[C@H]1CCCN(C(=[NH2+])NCc2cc(Cl)ccc2[O-])C1 ZINC000849049580 633480786 /nfs/dbraw/zinc/48/07/86/633480786.db2.gz SDHLUCUDONAYLJ-JTQLQIEISA-N 0 1 281.787 2.802 20 10 CFCDMN COc1cc(CNCc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000850126149 633849741 /nfs/dbraw/zinc/84/97/41/633849741.db2.gz MGVWEZHTDHKZNW-UHFFFAOYSA-N 0 1 289.379 2.711 20 10 CFCDMN Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)[nH]c1C ZINC000850252933 633913115 /nfs/dbraw/zinc/91/31/15/633913115.db2.gz YJSQJPCTIHHRTF-CYBMUJFWSA-N 0 1 272.396 2.943 20 10 CFCDMN C[C@H]1C[C@@H](NCc2c(O)ccc(Cl)c2F)c2ncnn21 ZINC000850352481 633951386 /nfs/dbraw/zinc/95/13/86/633951386.db2.gz YGQQBCPSHDXQSF-OIBJUYFYSA-N 0 1 296.733 2.572 20 10 CFCDMN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000850360464 633955140 /nfs/dbraw/zinc/95/51/40/633955140.db2.gz IQEXOKNQPJELGN-MGCOHNPYSA-N 0 1 255.745 2.703 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850499181 634019696 /nfs/dbraw/zinc/01/96/96/634019696.db2.gz KVPZSMCPPYIJBE-NTZNESFSSA-N 0 1 272.352 2.649 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2nccn2C)c1 ZINC000850572064 634057019 /nfs/dbraw/zinc/05/70/19/634057019.db2.gz GXUCGDFSLIRRBO-NWDGAFQWSA-N 0 1 259.353 2.846 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccn2C)c(O)c1 ZINC000850572484 634057491 /nfs/dbraw/zinc/05/74/91/634057491.db2.gz KOXBCMHOKYLHSN-NEPJUHHUSA-N 0 1 259.353 2.846 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000850578390 634058361 /nfs/dbraw/zinc/05/83/61/634058361.db2.gz JCUCQUAFYOVEEI-NHCYSSNCSA-N 0 1 255.745 2.610 20 10 CFCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1cc(F)ccc1O ZINC000850573102 634058366 /nfs/dbraw/zinc/05/83/66/634058366.db2.gz UOFVGWXWISUUHG-ZJUUUORDSA-N 0 1 263.316 2.677 20 10 CFCDMN CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000853247331 634950163 /nfs/dbraw/zinc/95/01/63/634950163.db2.gz LXXXPMNCJMVYEW-LLVKDONJSA-N 0 1 274.767 2.648 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575902 635040136 /nfs/dbraw/zinc/04/01/36/635040136.db2.gz LUXYMAAQYGANFH-STQMWFEESA-N 0 1 254.333 2.782 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575902 635040140 /nfs/dbraw/zinc/04/01/40/635040140.db2.gz LUXYMAAQYGANFH-STQMWFEESA-N 0 1 254.333 2.782 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1F ZINC000854243843 635270473 /nfs/dbraw/zinc/27/04/73/635270473.db2.gz FDYUWAMQWQCEOE-UHFFFAOYSA-N 0 1 296.386 2.824 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CC2(C1)CCCO2 ZINC000862484658 637398644 /nfs/dbraw/zinc/39/86/44/637398644.db2.gz XZXRKCUMIPQGHZ-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN COc1cccc2c1CN(Cc1ccccc1O)C2 ZINC000862529272 637407607 /nfs/dbraw/zinc/40/76/07/637407607.db2.gz JGPDJFYGHMMHHG-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](CCF)C2)c1 ZINC000863318437 637625602 /nfs/dbraw/zinc/62/56/02/637625602.db2.gz YKJXMKBFUBWNFP-CQSZACIVSA-N 0 1 267.344 2.569 20 10 CFCDMN CN(C)c1ccc(CNCc2ccc(F)nc2)cc1F ZINC000189017961 650356039 /nfs/dbraw/zinc/35/60/39/650356039.db2.gz KDYHNNRTHVJDHW-UHFFFAOYSA-N 0 1 277.318 2.716 20 10 CFCDMN CC[C@@]1(C)CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000190349924 650428299 /nfs/dbraw/zinc/42/82/99/650428299.db2.gz IZRGOISXVXDHAO-INIZCTEOSA-N 0 1 279.380 2.710 20 10 CFCDMN NC(=O)CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000122716582 639349880 /nfs/dbraw/zinc/34/98/80/639349880.db2.gz CVJUOIYTSLIVCH-LLVKDONJSA-N 0 1 296.798 2.523 20 10 CFCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000122716582 639349884 /nfs/dbraw/zinc/34/98/84/639349884.db2.gz CVJUOIYTSLIVCH-LLVKDONJSA-N 0 1 296.798 2.523 20 10 CFCDMN C[N@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000122925274 639517470 /nfs/dbraw/zinc/51/74/70/639517470.db2.gz QLTHGHKYTAFFAR-UHFFFAOYSA-N 0 1 270.170 2.997 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1 ZINC000083551350 650764337 /nfs/dbraw/zinc/76/43/37/650764337.db2.gz IYJTYHMLVDPZJY-HNNXBMFYSA-N 0 1 277.751 2.869 20 10 CFCDMN CC(C)C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552142 650765130 /nfs/dbraw/zinc/76/51/30/650765130.db2.gz CMVIPAATSHDEPR-JTQLQIEISA-N 0 1 257.761 2.542 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000086755447 650797430 /nfs/dbraw/zinc/79/74/30/650797430.db2.gz CYNUWJWQMAWJFL-CYBMUJFWSA-N 0 1 293.363 2.620 20 10 CFCDMN CCCCC[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876564944 642926715 /nfs/dbraw/zinc/92/67/15/642926715.db2.gz OSELWLZXXTVMGE-UHFFFAOYSA-N 0 1 273.323 2.655 20 10 CFCDMN CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)(C)O ZINC000876692138 642977119 /nfs/dbraw/zinc/97/71/19/642977119.db2.gz XSVFHPWPNLCMAW-UHFFFAOYSA-N 0 1 273.323 2.653 20 10 CFCDMN Cc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(O)c1 ZINC000876746266 642991018 /nfs/dbraw/zinc/99/10/18/642991018.db2.gz JOPCZDNDTCUCJA-GOSISDBHSA-N 0 1 299.370 2.980 20 10 CFCDMN CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000876758841 642998260 /nfs/dbraw/zinc/99/82/60/642998260.db2.gz LCOAGFVMXXPRCA-DGCLKSJQSA-N 0 1 298.377 2.975 20 10 CFCDMN CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000876758841 642998261 /nfs/dbraw/zinc/99/82/61/642998261.db2.gz LCOAGFVMXXPRCA-DGCLKSJQSA-N 0 1 298.377 2.975 20 10 CFCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877139695 643173749 /nfs/dbraw/zinc/17/37/49/643173749.db2.gz WSVKKCCUQDFDMR-WCQYABFASA-N 0 1 299.361 2.899 20 10 CFCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487168 643301696 /nfs/dbraw/zinc/30/16/96/643301696.db2.gz VVGTVYBPSRTVRB-CMPLNLGQSA-N 0 1 285.334 2.796 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCCC[C@H]2CCO)ccc(F)c1F ZINC000877507184 643317395 /nfs/dbraw/zinc/31/73/95/643317395.db2.gz MNRLGYXCCIDXIN-LBPRGKRZSA-N 0 1 285.334 2.797 20 10 CFCDMN CCc1nocc1CN(C)Cc1ccc(C)cc1O ZINC000877552704 643354313 /nfs/dbraw/zinc/35/43/13/643354313.db2.gz RUEUQHOUMNQACU-UHFFFAOYSA-N 0 1 260.337 2.883 20 10 CFCDMN C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877613173 643400005 /nfs/dbraw/zinc/40/00/05/643400005.db2.gz YTOZZLXUMOJDHR-ZWNOBZJWSA-N 0 1 296.798 2.583 20 10 CFCDMN COc1cc(O)c(CNCc2ccc(C)o2)cc1OC ZINC000877697829 643460884 /nfs/dbraw/zinc/46/08/84/643460884.db2.gz NFGWMTSAXNBKQT-UHFFFAOYSA-N 0 1 277.320 2.601 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc(F)c1F ZINC000877737992 643500855 /nfs/dbraw/zinc/50/08/55/643500855.db2.gz MBDVXNRIKJFOIN-WDEREUQCSA-N 0 1 285.359 2.855 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]21 ZINC000877740171 643509190 /nfs/dbraw/zinc/50/91/90/643509190.db2.gz IVVOZZJZSZPXOE-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]21 ZINC000877740171 643509196 /nfs/dbraw/zinc/50/91/96/643509196.db2.gz IVVOZZJZSZPXOE-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN CC1(C)C[C@@H](O)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877751312 643527814 /nfs/dbraw/zinc/52/78/14/643527814.db2.gz BHWLMBKLNGHLOK-LLVKDONJSA-N 0 1 269.772 2.638 20 10 CFCDMN Cc1nn(C)c(Cl)c1CN[C@H](C)c1ccccc1O ZINC000877756525 643537284 /nfs/dbraw/zinc/53/72/84/643537284.db2.gz PIFZQWALCGKVKB-SECBINFHSA-N 0 1 279.771 2.938 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccnn2C)cc1Cl ZINC000877762077 643541909 /nfs/dbraw/zinc/54/19/09/643541909.db2.gz ZGIAZRMORGPRCI-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877835323 643601634 /nfs/dbraw/zinc/60/16/34/643601634.db2.gz OUWUZTXKLYLVOL-NSHDSACASA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877835323 643601638 /nfs/dbraw/zinc/60/16/38/643601638.db2.gz OUWUZTXKLYLVOL-NSHDSACASA-N 0 1 269.772 2.638 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877836470 643603239 /nfs/dbraw/zinc/60/32/39/643603239.db2.gz YCFXLIBWEBMYOS-SNVBAGLBSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1cccc2c1N[C@H](c1ccc(F)c(F)c1O)NC2=O ZINC000877845343 643606572 /nfs/dbraw/zinc/60/65/72/643606572.db2.gz HEUMHZANHGLIEP-AWEZNQCLSA-N 0 1 290.269 2.833 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878242463 643805163 /nfs/dbraw/zinc/80/51/63/643805163.db2.gz RTOKKGXGVUIRRV-IVMMDQJWSA-N 0 1 261.365 2.782 20 10 CFCDMN CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091772497 650907878 /nfs/dbraw/zinc/90/78/78/650907878.db2.gz JXGMNJMPDMYMKQ-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091772497 650907880 /nfs/dbraw/zinc/90/78/80/650907880.db2.gz JXGMNJMPDMYMKQ-LBPRGKRZSA-N 0 1 255.745 2.656 20 10 CFCDMN C[N@H+](CCOCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000093818552 650947088 /nfs/dbraw/zinc/94/70/88/650947088.db2.gz YTUHWVDXENGPJP-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@@H+](CCOCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000093818552 650947090 /nfs/dbraw/zinc/94/70/90/650947090.db2.gz YTUHWVDXENGPJP-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN CC[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000094949373 650965946 /nfs/dbraw/zinc/96/59/46/650965946.db2.gz CVMURJLZICKAPW-SNVBAGLBSA-N 0 1 257.761 2.544 20 10 CFCDMN COc1ccc(O)c(CN2CCOc3ccccc3C2)c1 ZINC000134097299 646280726 /nfs/dbraw/zinc/28/07/26/646280726.db2.gz FAHNFFZGBZBFOX-UHFFFAOYSA-N 0 1 285.343 2.795 20 10 CFCDMN COC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134900818 646402211 /nfs/dbraw/zinc/40/22/11/646402211.db2.gz UDORSJPYIBZYOM-RKDXNWHRSA-N 0 1 288.185 2.840 20 10 CFCDMN C[C@H]([NH2+]CC1(CO)CCCC1)c1cc(F)ccc1[O-] ZINC000135069100 646454609 /nfs/dbraw/zinc/45/46/09/646454609.db2.gz DOPCJWACCMZOHX-NSHDSACASA-N 0 1 267.344 2.735 20 10 CFCDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000886360339 646986510 /nfs/dbraw/zinc/98/65/10/646986510.db2.gz URXFILCHPBCWKD-BXUZGUMPSA-N 0 1 299.798 2.577 20 10 CFCDMN CCOC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000222047168 647242050 /nfs/dbraw/zinc/24/20/50/647242050.db2.gz XZMVPMVKBXTDMY-SECBINFHSA-N 0 1 288.185 2.669 20 10 CFCDMN CCCN(CC)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000223232542 647353986 /nfs/dbraw/zinc/35/39/86/647353986.db2.gz RHDFBEOSBFCMOA-UHFFFAOYSA-N 0 1 270.804 2.867 20 10 CFCDMN CCCC[N@@H+](CCO[C@@H]1CCOC1)Cc1ccccc1O ZINC000930350419 649235447 /nfs/dbraw/zinc/23/54/47/649235447.db2.gz HNUXETVOSWXFMM-MRXNPFEDSA-N 0 1 293.407 2.800 20 10 CFCDMN COC(=O)CC[N@H+](Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001140464546 770679743 /nfs/dbraw/zinc/67/97/43/770679743.db2.gz UJJRSWHETLXKBE-UHFFFAOYSA-N 0 1 283.755 2.573 20 10 CFCDMN COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001140464546 770679747 /nfs/dbraw/zinc/67/97/47/770679747.db2.gz UJJRSWHETLXKBE-UHFFFAOYSA-N 0 1 283.755 2.573 20 10 CFCDMN Cc1cc(Br)cc(CN2CCC2)c1O ZINC001233107241 777797499 /nfs/dbraw/zinc/79/74/99/777797499.db2.gz WAMDIOGHZKIORS-UHFFFAOYSA-N 0 1 256.143 2.669 20 10 CFCDMN CN[C@H]1CCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001236166212 778722060 /nfs/dbraw/zinc/72/20/60/778722060.db2.gz IQNDEYJGKJMKLE-QGZVFWFLSA-N 0 1 269.392 2.845 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000724009122 770746469 /nfs/dbraw/zinc/74/64/69/770746469.db2.gz DPFNPMCKOLOKEO-SMDDNHRTSA-N 0 1 267.344 2.826 20 10 CFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140582281 770958819 /nfs/dbraw/zinc/95/88/19/770958819.db2.gz GDTLUXUJDBXMOK-ZUZCIYMTSA-N 0 1 283.318 2.671 20 10 CFCDMN Oc1cccc2c1CN(Cc1cnc3ccccn13)CC2 ZINC001203157143 770985421 /nfs/dbraw/zinc/98/54/21/770985421.db2.gz LUUQUURHEUHJGL-UHFFFAOYSA-N 0 1 279.343 2.598 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814456 775114500 /nfs/dbraw/zinc/11/45/00/775114500.db2.gz PQWLWANBOSMEPL-YGRLFVJLSA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814456 775114506 /nfs/dbraw/zinc/11/45/06/775114506.db2.gz PQWLWANBOSMEPL-YGRLFVJLSA-N 0 1 267.756 2.656 20 10 CFCDMN Cc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000382289834 775148297 /nfs/dbraw/zinc/14/82/97/775148297.db2.gz UGDJQNOVSIYXJT-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN Cc1nc(C)c(CNCc2cc(Cl)ccc2O)o1 ZINC000382289834 775148301 /nfs/dbraw/zinc/14/83/01/775148301.db2.gz UGDJQNOVSIYXJT-UHFFFAOYSA-N 0 1 266.728 2.940 20 10 CFCDMN CCOC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000218985861 776537243 /nfs/dbraw/zinc/53/72/43/776537243.db2.gz AXGUXPQTBPZZOQ-UHFFFAOYSA-N 0 1 255.745 2.703 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001231455912 777222634 /nfs/dbraw/zinc/22/26/34/777222634.db2.gz XLYDYYLCLPKJGF-BXUZGUMPSA-N 0 1 275.348 2.855 20 10 CFCDMN O=C([O-])c1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001231452216 777223401 /nfs/dbraw/zinc/22/34/01/777223401.db2.gz HHROIZHISITWGE-UHFFFAOYSA-N 0 1 287.290 2.745 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c1 ZINC001231452216 777223411 /nfs/dbraw/zinc/22/34/11/777223411.db2.gz HHROIZHISITWGE-UHFFFAOYSA-N 0 1 287.290 2.745 20 10 CFCDMN C[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452435 777223648 /nfs/dbraw/zinc/22/36/48/777223648.db2.gz PCJSXZOMUHPKDQ-UHFFFAOYSA-N 0 1 277.345 2.784 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CCCCC23CC3)c(O)c1 ZINC001231452151 777223825 /nfs/dbraw/zinc/22/38/25/777223825.db2.gz BNUGJZOGZWUDAT-UHFFFAOYSA-N 0 1 261.321 2.609 20 10 CFCDMN CCN(C)Cc1c(Br)ccc(OC)c1O ZINC001231548055 777257363 /nfs/dbraw/zinc/25/73/63/777257363.db2.gz OESAIUBWUUCOBZ-UHFFFAOYSA-N 0 1 274.158 2.615 20 10 CFCDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CCCCC1 ZINC001231559993 777258917 /nfs/dbraw/zinc/25/89/17/777258917.db2.gz MBVWUQWYOPETHF-UHFFFAOYSA-N 0 1 263.337 2.855 20 10 CFCDMN COc1ccc(Br)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC001231549850 777259198 /nfs/dbraw/zinc/25/91/98/777259198.db2.gz GWFUYQJPHDGSDM-DTORHVGOSA-N 0 1 298.180 2.615 20 10 CFCDMN COc1ccc(Br)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC001231549850 777259204 /nfs/dbraw/zinc/25/92/04/777259204.db2.gz GWFUYQJPHDGSDM-DTORHVGOSA-N 0 1 298.180 2.615 20 10 CFCDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@H]1CC1(C)C ZINC001231566131 777261764 /nfs/dbraw/zinc/26/17/64/777261764.db2.gz RNHCRHRDLGCNHZ-GFCCVEGCSA-N 0 1 263.337 2.568 20 10 CFCDMN C[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231587496 777268018 /nfs/dbraw/zinc/26/80/18/777268018.db2.gz DKIDSHWZAOEURB-QGZVFWFLSA-N 0 1 271.360 2.750 20 10 CFCDMN C[C@@]1(CO)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231587496 777268027 /nfs/dbraw/zinc/26/80/27/777268027.db2.gz DKIDSHWZAOEURB-QGZVFWFLSA-N 0 1 271.360 2.750 20 10 CFCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001231587863 777268951 /nfs/dbraw/zinc/26/89/51/777268951.db2.gz HLGFJIJXRVDYIF-WBVHZDCISA-N 0 1 289.350 2.840 20 10 CFCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001231587863 777268960 /nfs/dbraw/zinc/26/89/60/777268960.db2.gz HLGFJIJXRVDYIF-WBVHZDCISA-N 0 1 289.350 2.840 20 10 CFCDMN COc1cc(N(C)C)ccc1CN(C)C1CC(F)(F)C1 ZINC001231848580 777350684 /nfs/dbraw/zinc/35/06/84/777350684.db2.gz ILIRPPILHWWVNA-UHFFFAOYSA-N 0 1 284.350 2.991 20 10 CFCDMN COc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001231853719 777352157 /nfs/dbraw/zinc/35/21/57/777352157.db2.gz PAGRGKDYDUKSAP-INIZCTEOSA-N 0 1 292.423 2.762 20 10 CFCDMN 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CC[N@H+]1CCCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808250 779184892 /nfs/dbraw/zinc/18/48/92/779184892.db2.gz SKWRWQRQGLORBZ-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])[C@H]1CO ZINC001237808968 779185667 /nfs/dbraw/zinc/18/56/67/779185667.db2.gz XGJKGBCCBFSBQI-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1CCN(Cc2cc(F)cc(Cl)c2O)CCC1=O ZINC001237808972 779185692 /nfs/dbraw/zinc/18/56/92/779185692.db2.gz XIJQUZJXZFJFET-VIFPVBQESA-N 0 1 285.746 2.986 20 10 CFCDMN CCCOC1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237812146 779186128 /nfs/dbraw/zinc/18/61/28/779186128.db2.gz DNHHCRKIUOQILV-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC[C@H]1CO ZINC001237809714 779186146 /nfs/dbraw/zinc/18/61/46/779186146.db2.gz KTBKCXDVCUECPH-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN COc1cc(C)c(CN2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001236809677 779642290 /nfs/dbraw/zinc/64/22/90/779642290.db2.gz ZPBPYDYWWYNWFL-LBPRGKRZSA-N 0 1 277.364 2.510 20 10 CFCDMN Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001237685208 779707877 /nfs/dbraw/zinc/70/78/77/779707877.db2.gz FIZZHCCIKCONRQ-PHIMTYICSA-N 0 1 279.767 2.765 20 10 CFCDMN [O-]c1c(C[NH+]2CC3(C2)CCOC3)ccc2ccccc21 ZINC001117722119 780607086 /nfs/dbraw/zinc/60/70/86/780607086.db2.gz KWHNLDOHQIANQL-UHFFFAOYSA-N 0 1 269.344 2.768 20 10 CFCDMN CCOc1cccc(CN2CCC[C@@H](F)C2)c1O ZINC000701660672 780821720 /nfs/dbraw/zinc/82/17/20/780821720.db2.gz XKZKXJMKCYLVKB-GFCCVEGCSA-N 0 1 253.317 2.725 20 10 CFCDMN COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000702800851 780955593 /nfs/dbraw/zinc/95/55/93/780955593.db2.gz CPTLTYYSHNCCJY-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN COC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000702800851 780955597 /nfs/dbraw/zinc/95/55/97/780955597.db2.gz CPTLTYYSHNCCJY-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN OCCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703383269 781013116 /nfs/dbraw/zinc/01/31/16/781013116.db2.gz XMIYJNLTIROXRI-UHFFFAOYSA-N 0 1 279.286 2.817 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703531943 781025711 /nfs/dbraw/zinc/02/57/11/781025711.db2.gz RQUQSNUOQRZSAK-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703531943 781025716 /nfs/dbraw/zinc/02/57/16/781025716.db2.gz RQUQSNUOQRZSAK-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCCO1 ZINC000703539766 781025994 /nfs/dbraw/zinc/02/59/94/781025994.db2.gz DATJMVVYPZMVRC-LLVKDONJSA-N 0 1 271.307 2.671 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCOC1 ZINC000703532151 781026386 /nfs/dbraw/zinc/02/63/86/781026386.db2.gz SVWNFEWFZLLYOC-JTQLQIEISA-N 0 1 271.307 2.529 20 10 CFCDMN CCOCCN(C)Cc1c(O)cccc1Br ZINC000707143447 781224936 /nfs/dbraw/zinc/22/49/36/781224936.db2.gz SHAMLKBMZLXFJH-UHFFFAOYSA-N 0 1 288.185 2.623 20 10 CFCDMN CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414218 781273519 /nfs/dbraw/zinc/27/35/19/781273519.db2.gz PKUOOBTWVOFSDV-CABZTGNLSA-N 0 1 271.307 2.670 20 10 CFCDMN COc1cccc(CNc2ccc3c(n2)CCC3)c1O ZINC000294991828 199287652 /nfs/dbraw/zinc/28/76/52/199287652.db2.gz ZDIVQGQDTWWPSV-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN CCOC(=O)c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091974645 375073079 /nfs/dbraw/zinc/07/30/79/375073079.db2.gz VSKQHFHJUNSKGO-UHFFFAOYSA-N 0 1 289.331 2.794 20 10 CFCDMN C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093481519 375252708 /nfs/dbraw/zinc/25/27/08/375252708.db2.gz HEMCAMWFSFNHEN-QMMMGPOBSA-N 0 1 278.179 2.902 20 10 CFCDMN Cc1cc(O)c(CN2CCOCC23CCC3)cc1C ZINC000093510039 375260592 /nfs/dbraw/zinc/26/05/92/375260592.db2.gz JCFAIYURVBWDJM-UHFFFAOYSA-N 0 1 261.365 2.764 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000127720291 377300368 /nfs/dbraw/zinc/30/03/68/377300368.db2.gz RDPQMNQEQLGGIK-WDEREUQCSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000127720291 377300374 /nfs/dbraw/zinc/30/03/74/377300374.db2.gz RDPQMNQEQLGGIK-WDEREUQCSA-N 0 1 269.772 2.781 20 10 CFCDMN CCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132580141 377854837 /nfs/dbraw/zinc/85/48/37/377854837.db2.gz YULVBUIMXHDTAF-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132580141 377854844 /nfs/dbraw/zinc/85/48/44/377854844.db2.gz YULVBUIMXHDTAF-UHFFFAOYSA-N 0 1 258.159 2.997 20 10 CFCDMN CCOCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134913015 378062498 /nfs/dbraw/zinc/06/24/98/378062498.db2.gz HVHCHFVTUNRACB-SECBINFHSA-N 0 1 288.185 2.842 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134921258 378063765 /nfs/dbraw/zinc/06/37/65/378063765.db2.gz MJXGZRUNNDRHBE-RKDXNWHRSA-N 0 1 288.185 2.576 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2Cl)[nH]n1 ZINC000136773723 378208897 /nfs/dbraw/zinc/20/88/97/378208897.db2.gz KDJNKJLCXDHHDP-SECBINFHSA-N 0 1 279.771 2.798 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2Cl)n[nH]1 ZINC000136773723 378208905 /nfs/dbraw/zinc/20/89/05/378208905.db2.gz KDJNKJLCXDHHDP-SECBINFHSA-N 0 1 279.771 2.798 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367968963 380870422 /nfs/dbraw/zinc/87/04/22/380870422.db2.gz ZBVXJCAHBLEGNK-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000367968963 380870433 /nfs/dbraw/zinc/87/04/33/380870433.db2.gz ZBVXJCAHBLEGNK-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000367968963 380870442 /nfs/dbraw/zinc/87/04/42/380870442.db2.gz ZBVXJCAHBLEGNK-OAHLLOKOSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367968962 380871390 /nfs/dbraw/zinc/87/13/90/380871390.db2.gz ZBVXJCAHBLEGNK-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000367968962 380871402 /nfs/dbraw/zinc/87/14/02/380871402.db2.gz ZBVXJCAHBLEGNK-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000367968962 380871418 /nfs/dbraw/zinc/87/14/18/380871418.db2.gz ZBVXJCAHBLEGNK-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1[O-] ZINC000368098928 380921774 /nfs/dbraw/zinc/92/17/74/380921774.db2.gz DAWCDNUWLARPFE-DGCLKSJQSA-N 0 1 289.354 2.853 20 10 CFCDMN C[C@H](O)c1ncc(CNCc2ccc(N(C)C)cc2)s1 ZINC000289279424 381030664 /nfs/dbraw/zinc/03/06/64/381030664.db2.gz OLWPCNJBNFKDGB-NSHDSACASA-N 0 1 291.420 2.552 20 10 CFCDMN CCCC[N@@H+](CCCO)Cc1cccc(F)c1[O-] ZINC000289376491 381033298 /nfs/dbraw/zinc/03/32/98/381033298.db2.gz BTOSHXGGZXJXQJ-UHFFFAOYSA-N 0 1 255.333 2.516 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000368489264 381043137 /nfs/dbraw/zinc/04/31/37/381043137.db2.gz ZBIADOAIOAWHLX-CQSZACIVSA-N 0 1 267.756 2.801 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000368489264 381043143 /nfs/dbraw/zinc/04/31/43/381043143.db2.gz ZBIADOAIOAWHLX-CQSZACIVSA-N 0 1 267.756 2.801 20 10 CFCDMN C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000184888587 381493126 /nfs/dbraw/zinc/49/31/26/381493126.db2.gz JLNVLBJDCFJVEL-NSHDSACASA-N 0 1 296.798 2.709 20 10 CFCDMN CN1CCc2cc(CN[C@@H]3CCCc4c[nH]nc43)ccc21 ZINC000370952730 381522100 /nfs/dbraw/zinc/52/21/00/381522100.db2.gz ICMTVNARGQREHK-OAHLLOKOSA-N 0 1 282.391 2.569 20 10 CFCDMN C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000185332582 381601141 /nfs/dbraw/zinc/60/11/41/381601141.db2.gz BTKGAVIDYLUYIF-JTQLQIEISA-N 0 1 298.770 2.539 20 10 CFCDMN C[C@H]([NH2+]CCSCCCO)c1cc(Cl)ccc1[O-] ZINC000185378587 381617525 /nfs/dbraw/zinc/61/75/25/381617525.db2.gz IXSGRIMSNUIWFO-JTQLQIEISA-N 0 1 289.828 2.812 20 10 CFCDMN C[C@H]1COCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000359878466 381655030 /nfs/dbraw/zinc/65/50/30/381655030.db2.gz RGCNWBHQUQUMPY-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN C[C@H]1COCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000359878466 381655033 /nfs/dbraw/zinc/65/50/33/381655033.db2.gz RGCNWBHQUQUMPY-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185522027 381656959 /nfs/dbraw/zinc/65/69/59/381656959.db2.gz JWTUSYMYXDCIFT-AXFHLTTASA-N 0 1 255.333 2.589 20 10 CFCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000371875986 381715385 /nfs/dbraw/zinc/71/53/85/381715385.db2.gz IJRRZIFMIBCVCT-MRXNPFEDSA-N 0 1 287.334 2.971 20 10 CFCDMN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185787610 381733859 /nfs/dbraw/zinc/73/38/59/381733859.db2.gz GDCRBVZIOBKLKX-JQWIXIFHSA-N 0 1 296.798 2.707 20 10 CFCDMN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000186130882 381829544 /nfs/dbraw/zinc/82/95/44/381829544.db2.gz RNCSSNCAFZBBHR-CMPLNLGQSA-N 0 1 289.379 2.714 20 10 CFCDMN COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186202915 381851438 /nfs/dbraw/zinc/85/14/38/381851438.db2.gz VMZQLPDEALUILE-JSGCOSHPSA-N 0 1 289.375 2.593 20 10 CFCDMN COC[C@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186202974 381851833 /nfs/dbraw/zinc/85/18/33/381851833.db2.gz VMZQLPDEALUILE-TZMCWYRMSA-N 0 1 289.375 2.593 20 10 CFCDMN C[C@H](N[C@H](CCO)c1ccco1)c1cc(F)ccc1O ZINC000186534885 381939403 /nfs/dbraw/zinc/93/94/03/381939403.db2.gz QXIRLINVESHVGI-GXFFZTMASA-N 0 1 279.311 2.899 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000375235654 382074377 /nfs/dbraw/zinc/07/43/77/382074377.db2.gz BEVPYIGQSNYFJJ-CYBMUJFWSA-N 0 1 291.391 2.792 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@H]3COC[C@H]32)cc1F ZINC000375707603 382098146 /nfs/dbraw/zinc/09/81/46/382098146.db2.gz ZHVHSWRFBLHHEB-XJKSGUPXSA-N 0 1 278.371 2.503 20 10 CFCDMN COc1ccc(O)c([C@H](C)N2CCOC[C@@H]2C2CC2)c1 ZINC000377621790 382303739 /nfs/dbraw/zinc/30/37/39/382303739.db2.gz XUEPKAQMFOWELH-XHDPSFHLSA-N 0 1 277.364 2.573 20 10 CFCDMN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000188131225 382352230 /nfs/dbraw/zinc/35/22/30/382352230.db2.gz ZRUUGYBINRMAFQ-BDAKNGLRSA-N 0 1 288.185 2.840 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[C@H]1O ZINC000294118646 382422358 /nfs/dbraw/zinc/42/23/58/382422358.db2.gz GFXQIMVADHTABP-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN CCCN(Cc1ccccc1O)Cc1nccnc1OC ZINC000294763810 382526888 /nfs/dbraw/zinc/52/68/88/382526888.db2.gz IXGACQVDIXCHHM-UHFFFAOYSA-N 0 1 287.363 2.603 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1C ZINC000366651565 382539498 /nfs/dbraw/zinc/53/94/98/382539498.db2.gz IIDJAJJMOZHUOT-CABCVRRESA-N 0 1 275.392 2.867 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@@H](C)C2)c1[O-] ZINC000190429649 382667813 /nfs/dbraw/zinc/66/78/13/382667813.db2.gz BQJLHJYZLCLQSH-JTQLQIEISA-N 0 1 297.395 2.919 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@@H](C)C2)c1[O-] ZINC000190429649 382667815 /nfs/dbraw/zinc/66/78/15/382667815.db2.gz BQJLHJYZLCLQSH-JTQLQIEISA-N 0 1 297.395 2.919 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000267308551 384354016 /nfs/dbraw/zinc/35/40/16/384354016.db2.gz WPMQBSDFHYAUCO-ZDUSSCGKSA-N 0 1 291.778 2.911 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Cl)ccc1[O-] ZINC000281526669 385198154 /nfs/dbraw/zinc/19/81/54/385198154.db2.gz IBKSYLPDFHCBMF-MNOVXSKESA-N 0 1 296.798 2.707 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000282389885 385299549 /nfs/dbraw/zinc/29/95/49/385299549.db2.gz RCEWIMDGCSUYBB-PWSUYJOCSA-N 0 1 253.317 2.531 20 10 CFCDMN CCN(Cc1cnn(C)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000271156651 385354756 /nfs/dbraw/zinc/35/47/56/385354756.db2.gz VZTQVVWSBVIMCR-UHFFFAOYSA-N 0 1 290.386 2.647 20 10 CFCDMN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000271177760 385363691 /nfs/dbraw/zinc/36/36/91/385363691.db2.gz XTWYGZHOWOOTEE-LBPRGKRZSA-N 0 1 266.360 2.503 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCC[C@H]1O ZINC000271248853 385378005 /nfs/dbraw/zinc/37/80/05/385378005.db2.gz HTBULHXDZUBRFJ-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCC[C@H]1O ZINC000271248853 385378007 /nfs/dbraw/zinc/37/80/07/385378007.db2.gz HTBULHXDZUBRFJ-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN Oc1ccccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000271305347 385379210 /nfs/dbraw/zinc/37/92/10/385379210.db2.gz UCSCRMMYIFBJSF-KRWDZBQOSA-N 0 1 269.344 2.966 20 10 CFCDMN COc1c(O)cccc1CN(C)Cc1ccccc1O ZINC000272256690 385490041 /nfs/dbraw/zinc/49/00/41/385490041.db2.gz JLGXENHJQKYBPT-UHFFFAOYSA-N 0 1 273.332 2.738 20 10 CFCDMN CCOC1CC([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000286690326 385687135 /nfs/dbraw/zinc/68/71/35/385687135.db2.gz CZSSXGXFRVVHRV-UHFFFAOYSA-N 0 1 295.354 2.733 20 10 CFCDMN CCOC1CC([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000286690326 385687147 /nfs/dbraw/zinc/68/71/47/385687147.db2.gz CZSSXGXFRVVHRV-UHFFFAOYSA-N 0 1 295.354 2.733 20 10 CFCDMN C[C@H](NCc1nccn1C)c1cc2c(cc1O)CCCC2 ZINC000273607907 385691748 /nfs/dbraw/zinc/69/17/48/385691748.db2.gz UTAZRASCNDPUMB-LBPRGKRZSA-N 0 1 285.391 2.855 20 10 CFCDMN CN(CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC000179945853 393473981 /nfs/dbraw/zinc/47/39/81/393473981.db2.gz NCSMSXGYCDFZCI-UHFFFAOYSA-N 0 1 285.771 2.819 20 10 CFCDMN C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccccc1 ZINC000109772330 393879655 /nfs/dbraw/zinc/87/96/55/393879655.db2.gz KFPAINJBHVRUHS-AWEZNQCLSA-N 0 1 298.386 2.701 20 10 CFCDMN CCc1noc(C)c1CN(C)Cc1ccccc1O ZINC000119064408 393913238 /nfs/dbraw/zinc/91/32/38/393913238.db2.gz MOKGDYUUKDXEDU-UHFFFAOYSA-N 0 1 260.337 2.883 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000281529023 394077997 /nfs/dbraw/zinc/07/79/97/394077997.db2.gz IBKSYLPDFHCBMF-QWRGUYRKSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@@H]1COCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378445509 297119552 /nfs/dbraw/zinc/11/95/52/297119552.db2.gz UPLGAVXJCLCJJW-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134234 267147285 /nfs/dbraw/zinc/14/72/85/267147285.db2.gz LLPMLSGQUXHGMR-DOMZBBRYSA-N 0 1 294.826 2.962 20 10 CFCDMN CC[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(C)cc1O ZINC000280119700 276438472 /nfs/dbraw/zinc/43/84/72/276438472.db2.gz 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/nfs/dbraw/zinc/28/26/67/330282667.db2.gz QCMDSJGSOJHFFJ-LLVKDONJSA-N 0 1 269.772 2.952 20 10 CFCDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)C ZINC000278216919 521331276 /nfs/dbraw/zinc/33/12/76/521331276.db2.gz LBZCMZYTRGWWNR-UHFFFAOYSA-N 0 1 282.340 2.787 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](C)C(=O)OCC ZINC000076074182 521691079 /nfs/dbraw/zinc/69/10/79/521691079.db2.gz ZTKAQIKJPBGTBF-GFCCVEGCSA-N 0 1 265.353 2.556 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000292981438 518279422 /nfs/dbraw/zinc/27/94/22/518279422.db2.gz BISOMVIRRUGHCR-CYBMUJFWSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000292981438 518279428 /nfs/dbraw/zinc/27/94/28/518279428.db2.gz BISOMVIRRUGHCR-CYBMUJFWSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2(CO)CCC2)c1[O-] ZINC000292131967 518280007 /nfs/dbraw/zinc/28/00/07/518280007.db2.gz LKBNGXAELNZQRA-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2(CO)CCC2)c1[O-] ZINC000292131967 518280016 /nfs/dbraw/zinc/28/00/16/518280016.db2.gz LKBNGXAELNZQRA-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291710425 518285058 /nfs/dbraw/zinc/28/50/58/518285058.db2.gz INRUHTOMCCUDRO-AWEZNQCLSA-N 0 1 295.354 2.733 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291710425 518285064 /nfs/dbraw/zinc/28/50/64/518285064.db2.gz INRUHTOMCCUDRO-AWEZNQCLSA-N 0 1 295.354 2.733 20 10 CFCDMN CCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278142058 520644948 /nfs/dbraw/zinc/64/49/48/520644948.db2.gz BDAJYDVTMJFBOQ-SNVBAGLBSA-N 0 1 282.340 2.929 20 10 CFCDMN CCN(CC)c1ccc(CNCc2n[nH]cc2C)cc1 ZINC000290055703 520908617 /nfs/dbraw/zinc/90/86/17/520908617.db2.gz XKBBWMABYHSFDJ-UHFFFAOYSA-N 0 1 272.396 2.854 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)OC ZINC000291012863 521281841 /nfs/dbraw/zinc/28/18/41/521281841.db2.gz BEWOCPVWDXFMIL-SNVBAGLBSA-N 0 1 257.761 2.902 20 10 CFCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](C)OC ZINC000291012863 521281854 /nfs/dbraw/zinc/28/18/54/521281854.db2.gz BEWOCPVWDXFMIL-SNVBAGLBSA-N 0 1 257.761 2.902 20 10 CFCDMN CCOc1cccc(CN(CC)Cc2cnn(C)c2)c1O ZINC000092437833 521332907 /nfs/dbraw/zinc/33/29/07/521332907.db2.gz XKPLBDJADBRLEI-UHFFFAOYSA-N 0 1 289.379 2.547 20 10 CFCDMN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CC1 ZINC000278291672 521685036 /nfs/dbraw/zinc/68/50/36/521685036.db2.gz UVMDLXNZXWZUIO-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN CC[C@H](CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000095015910 522143350 /nfs/dbraw/zinc/14/33/50/522143350.db2.gz OJOJKWCPKLSPBE-SNVBAGLBSA-N 0 1 257.761 2.544 20 10 CFCDMN COC[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000230672234 522300934 /nfs/dbraw/zinc/30/09/34/522300934.db2.gz QZLADCRFWGWALV-TZMCWYRMSA-N 0 1 289.375 2.857 20 10 CFCDMN COc1cc(Cl)cc(CN2CCOC[C@@H](C)C2)c1O ZINC000360334044 522536054 /nfs/dbraw/zinc/53/60/54/522536054.db2.gz JUSBWZAXWXWKHS-JTQLQIEISA-N 0 1 285.771 2.523 20 10 CFCDMN CC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000293272367 522822352 /nfs/dbraw/zinc/82/23/52/522822352.db2.gz CLFSRAWQASQCOU-WPRPVWTQSA-N 0 1 288.185 2.576 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275947502 523305400 /nfs/dbraw/zinc/30/54/00/523305400.db2.gz IZSSFOMINRTBKY-HAQNSBGRSA-N 0 1 269.772 2.781 20 10 CFCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000160205506 523314788 /nfs/dbraw/zinc/31/47/88/523314788.db2.gz IOXYAUCQDVUKFI-LBPRGKRZSA-N 0 1 253.317 2.532 20 10 CFCDMN COC(=O)[C@@H](C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000191645528 523526504 /nfs/dbraw/zinc/52/65/04/523526504.db2.gz NMUUMHWBOIXTBX-SNVBAGLBSA-N 0 1 297.782 2.962 20 10 CFCDMN CN1CCc2cc(CNCc3cn4ccccc4n3)ccc21 ZINC000361189354 523997369 /nfs/dbraw/zinc/99/73/69/523997369.db2.gz HIWQIALUZWMEBJ-UHFFFAOYSA-N 0 1 292.386 2.616 20 10 CFCDMN COCCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000044693515 524010341 /nfs/dbraw/zinc/01/03/41/524010341.db2.gz CDKJQDUOAFSMEJ-ZDUSSCGKSA-N 0 1 289.375 2.859 20 10 CFCDMN CO[C@](C)(C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000291023599 524027806 /nfs/dbraw/zinc/02/78/06/524027806.db2.gz HKCTZDUBQTWIBW-CQSZACIVSA-N 0 1 269.772 2.950 20 10 CFCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000279427597 524620108 /nfs/dbraw/zinc/62/01/08/524620108.db2.gz XMBSPWRZBNBIAF-SUMWQHHRSA-N 0 1 274.408 2.752 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2nccs2)c1 ZINC000041011910 524766231 /nfs/dbraw/zinc/76/62/31/524766231.db2.gz AFPZMWUJQPFDRI-SECBINFHSA-N 0 1 264.350 2.708 20 10 CFCDMN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185673024 524819735 /nfs/dbraw/zinc/81/97/35/524819735.db2.gz XZKSEBOXZRGWNG-GMXVVIOVSA-N 0 1 299.798 2.890 20 10 CFCDMN Cc1cc(Cl)cc(CN2CC3(C2)CCOC3)c1O ZINC000293862194 524861736 /nfs/dbraw/zinc/86/17/36/524861736.db2.gz CCJOUTUQSNJYRQ-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN C[C@H]([NH2+]CCCCO)c1cc(Br)ccc1[O-] ZINC000194215026 525335264 /nfs/dbraw/zinc/33/52/64/525335264.db2.gz RDGAZWYCBAHHKT-VIFPVBQESA-N 0 1 288.185 2.578 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(C)O)c1cc(Br)ccc1[O-] ZINC000134920071 525416675 /nfs/dbraw/zinc/41/66/75/525416675.db2.gz SQCAJHMGVGMVKN-MRVPVSSYSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000279054481 525713817 /nfs/dbraw/zinc/71/38/17/525713817.db2.gz KJNONUHENHCFPX-UWVGGRQHSA-N 0 1 257.761 2.857 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366696860 526330019 /nfs/dbraw/zinc/33/00/19/526330019.db2.gz PRFDQRLGKREQEA-FZMZJTMJSA-N 0 1 265.328 2.532 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000191426261 526345368 /nfs/dbraw/zinc/34/53/68/526345368.db2.gz RABGOXCILLCLPV-CQSZACIVSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CCOCC1 ZINC000083552330 526363952 /nfs/dbraw/zinc/36/39/52/526363952.db2.gz AYJKBNUPWBNVAB-UHFFFAOYSA-N 0 1 255.745 2.562 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000086485864 526362773 /nfs/dbraw/zinc/36/27/73/526362773.db2.gz QOTGEZHMNAZZNW-GWCFXTLKSA-N 0 1 269.772 2.686 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000086485867 526363027 /nfs/dbraw/zinc/36/30/27/526363027.db2.gz QOTGEZHMNAZZNW-ZWNOBZJWSA-N 0 1 269.772 2.686 20 10 CFCDMN Oc1ccccc1CN[C@@H]1COc2cccc(F)c21 ZINC000363675915 526374623 /nfs/dbraw/zinc/37/46/23/526374623.db2.gz VCEGXMRJGCVXNU-GFCCVEGCSA-N 0 1 259.280 2.755 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[O-] ZINC000754567363 574103701 /nfs/dbraw/zinc/10/37/01/574103701.db2.gz PXRMRBRBTCDHCR-PWSUYJOCSA-N 0 1 295.354 2.639 20 10 CFCDMN CCn1cc(CN(C)Cc2cc(C)cc(OC)c2O)cn1 ZINC000754725898 574117034 /nfs/dbraw/zinc/11/70/34/574117034.db2.gz FOVOLRYYXJCEHB-UHFFFAOYSA-N 0 1 289.379 2.558 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)O1 ZINC000732183984 574145043 /nfs/dbraw/zinc/14/50/43/574145043.db2.gz CFWDVLYKUDCJNU-JSGCOSHPSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)O1 ZINC000732183984 574145045 /nfs/dbraw/zinc/14/50/45/574145045.db2.gz CFWDVLYKUDCJNU-JSGCOSHPSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCOC1 ZINC000738074588 574156706 /nfs/dbraw/zinc/15/67/06/574156706.db2.gz COIOYTHYGRLAQM-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCOC1 ZINC000738074588 574156711 /nfs/dbraw/zinc/15/67/11/574156711.db2.gz COIOYTHYGRLAQM-CYBMUJFWSA-N 0 1 286.375 2.799 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1C ZINC000738463428 574170461 /nfs/dbraw/zinc/17/04/61/574170461.db2.gz BWKFGQQKMKWCTI-GFCCVEGCSA-N 0 1 277.364 2.694 20 10 CFCDMN O=C([O-])CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000738587813 574174700 /nfs/dbraw/zinc/17/47/00/574174700.db2.gz RQYUDRANVJUVKJ-UHFFFAOYSA-N 0 1 263.337 2.612 20 10 CFCDMN CC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756365767 574229754 /nfs/dbraw/zinc/22/97/54/574229754.db2.gz ZQTABBCMPHOGKO-SNVBAGLBSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000756442587 574237830 /nfs/dbraw/zinc/23/78/30/574237830.db2.gz FFILWZOUJQQUHI-CMPLNLGQSA-N 0 1 268.788 2.790 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc2ccccc2c1[O-] ZINC000756639346 574254576 /nfs/dbraw/zinc/25/45/76/574254576.db2.gz XDRWKGSDCQEDMC-WBMJQRKESA-N 0 1 298.386 2.817 20 10 CFCDMN C[C@H](NCc1cccc(F)n1)c1cc(F)ccc1O ZINC000756768804 574261010 /nfs/dbraw/zinc/26/10/10/574261010.db2.gz MWMVYHXRRDJZND-VIFPVBQESA-N 0 1 264.275 2.916 20 10 CFCDMN C[C@H]([NH2+]CCN1CCC1)c1cc(Br)ccc1[O-] ZINC000756770788 574261823 /nfs/dbraw/zinc/26/18/23/574261823.db2.gz XDPCBTGOJNAHKD-JTQLQIEISA-N 0 1 299.212 2.511 20 10 CFCDMN CCc1nnc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000756777455 574262217 /nfs/dbraw/zinc/26/22/17/574262217.db2.gz IOSLLGZSQREKRX-QWRGUYRKSA-N 0 1 274.368 2.793 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000251875389 601816848 /nfs/dbraw/zinc/81/68/48/601816848.db2.gz UJISWMXXHFLTFH-SMDDNHRTSA-N 0 1 285.343 2.698 20 10 CFCDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000833772409 604529595 /nfs/dbraw/zinc/52/95/95/604529595.db2.gz DBRPYXNFEZHDAN-INIZCTEOSA-N 0 1 288.391 2.726 20 10 CFCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000086748066 604643020 /nfs/dbraw/zinc/64/30/20/604643020.db2.gz XWUOVRJDQAFHBC-UHFFFAOYSA-N 0 1 271.744 2.731 20 10 CFCDMN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000834221348 605556167 /nfs/dbraw/zinc/55/61/67/605556167.db2.gz RMWKUOXUOVJPGP-JTQLQIEISA-N 0 1 298.770 2.525 20 10 CFCDMN C[C@@H](C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1)C(=O)[O-] ZINC000833516550 605750755 /nfs/dbraw/zinc/75/07/55/605750755.db2.gz OYLZEXCVIRAWBC-NSHDSACASA-N 0 1 294.370 2.577 20 10 CFCDMN CCOC(=O)CC[N@H+](Cc1c([O-])cccc1Cl)C1CC1 ZINC000120358577 617684861 /nfs/dbraw/zinc/68/48/61/617684861.db2.gz AQVYXYHXWURUNQ-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN CCOC(=O)CC[N@@H+](Cc1c([O-])cccc1Cl)C1CC1 ZINC000120358577 617684865 /nfs/dbraw/zinc/68/48/65/617684865.db2.gz AQVYXYHXWURUNQ-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C2CCC(O)CC2)c(Cl)c1 ZINC000840872062 618196674 /nfs/dbraw/zinc/19/66/74/618196674.db2.gz HDKQJRZWQZYKQX-UHFFFAOYSA-N 0 1 269.772 2.747 20 10 CFCDMN COc1cc(C)cc(CN(C)Cc2ccoc2)c1O ZINC000893974905 618257416 /nfs/dbraw/zinc/25/74/16/618257416.db2.gz XCVSURPSFLLJPD-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000310068699 618265176 /nfs/dbraw/zinc/26/51/76/618265176.db2.gz XILVSKFHHDAGRU-SKDRFNHKSA-N 0 1 255.745 2.560 20 10 CFCDMN CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1ccccc1O ZINC000189112376 618325285 /nfs/dbraw/zinc/32/52/85/618325285.db2.gz PBIKLNSNCHTGBX-GXFFZTMASA-N 0 1 287.367 2.516 20 10 CFCDMN CC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000895127693 618345791 /nfs/dbraw/zinc/34/57/91/618345791.db2.gz NWBFCAHWIUBZJT-SNVBAGLBSA-N 0 1 285.771 2.643 20 10 CFCDMN C[C@]1(C2CC2)CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000895230895 618485011 /nfs/dbraw/zinc/48/50/11/618485011.db2.gz NPAFDUDTPJLQAO-OAHLLOKOSA-N 0 1 283.318 2.671 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000895252178 618497814 /nfs/dbraw/zinc/49/78/14/618497814.db2.gz ZBMUAJMIDQCLSQ-GASCZTMLSA-N 0 1 283.318 2.529 20 10 CFCDMN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887939 618697334 /nfs/dbraw/zinc/69/73/34/618697334.db2.gz RACPVJNNBODXBU-GHMZBOCLSA-N 0 1 298.814 2.747 20 10 CFCDMN C[C@@H]([NH2+]CCCn1ccnn1)c1ccc2ccccc2c1[O-] ZINC000181982336 618726133 /nfs/dbraw/zinc/72/61/33/618726133.db2.gz YSGGSOAEVNPFKV-CYBMUJFWSA-N 0 1 296.374 2.878 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000840898335 618851515 /nfs/dbraw/zinc/85/15/15/618851515.db2.gz DBPFXFMKDDBRCA-RYUDHWBXSA-N 0 1 283.799 2.995 20 10 CFCDMN COCC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000313297003 618980023 /nfs/dbraw/zinc/98/00/23/618980023.db2.gz ADRYISJIOJIGPL-GXTWGEPZSA-N 0 1 289.375 2.593 20 10 CFCDMN C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000216045724 619083170 /nfs/dbraw/zinc/08/31/70/619083170.db2.gz MPYHJXVAISLCBG-BDAKNGLRSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@@H](CO)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000230159748 619165688 /nfs/dbraw/zinc/16/56/88/619165688.db2.gz XMIKABOTNYBRKS-SNVBAGLBSA-N 0 1 257.761 2.544 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000840975591 619201949 /nfs/dbraw/zinc/20/19/49/619201949.db2.gz PHFAQWLLWLSVIY-HNNXBMFYSA-N 0 1 297.782 2.821 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000840975591 619201951 /nfs/dbraw/zinc/20/19/51/619201951.db2.gz PHFAQWLLWLSVIY-HNNXBMFYSA-N 0 1 297.782 2.821 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000893929381 619246039 /nfs/dbraw/zinc/24/60/39/619246039.db2.gz PVJPAROAXJBAJL-JTQLQIEISA-N 0 1 283.318 2.671 20 10 CFCDMN COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccco1 ZINC000894326975 619335487 /nfs/dbraw/zinc/33/54/87/619335487.db2.gz BWCBXTWNIBMTKB-ZDUSSCGKSA-N 0 1 291.347 2.780 20 10 CFCDMN Oc1c(Br)cc(Cl)cc1CN1CC(F)C1 ZINC000894444515 619387458 /nfs/dbraw/zinc/38/74/58/619387458.db2.gz KGTFNCRWYYIJOC-UHFFFAOYSA-N 0 1 294.551 2.962 20 10 CFCDMN COc1cc(C)cc(CN(C)Cc2ccccn2)c1O ZINC000894451019 619388874 /nfs/dbraw/zinc/38/88/74/619388874.db2.gz YDALYPZCCVJFRE-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN CC[C@@]1(C)CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000894533820 619411884 /nfs/dbraw/zinc/41/18/84/619411884.db2.gz PVPUBMOUMYXIGT-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN C/C=C\C[C@H](NCc1cc(F)cc(F)c1O)C(=O)OCC ZINC000894563769 619418700 /nfs/dbraw/zinc/41/87/00/619418700.db2.gz WKSHFCQOLYTCCO-DXTPNHAXSA-N 0 1 299.317 2.658 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(F)cc(F)c1[O-])C2 ZINC000894748172 619454648 /nfs/dbraw/zinc/45/46/48/619454648.db2.gz IKRBVWUBSZURAF-PBWFPOADSA-N 0 1 296.361 2.727 20 10 CFCDMN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(F)cc(F)c1[O-])C2 ZINC000894748172 619454649 /nfs/dbraw/zinc/45/46/49/619454649.db2.gz IKRBVWUBSZURAF-PBWFPOADSA-N 0 1 296.361 2.727 20 10 CFCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783404 619466641 /nfs/dbraw/zinc/46/66/41/619466641.db2.gz TUWKAOSLYFVHIU-GFCCVEGCSA-N 0 1 273.323 2.509 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CCCCO2)c(Cl)c1 ZINC000894798120 619468996 /nfs/dbraw/zinc/46/89/96/619468996.db2.gz YUPVEDKPCSTTFN-HNNXBMFYSA-N 0 1 299.798 2.987 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000894890222 619499513 /nfs/dbraw/zinc/49/95/13/619499513.db2.gz ZWRBXPASHLJVEH-CFVMTHIKSA-N 0 1 297.345 2.796 20 10 CFCDMN CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895670089 619582543 /nfs/dbraw/zinc/58/25/43/619582543.db2.gz BPUGJQYWHLUVEJ-LBPRGKRZSA-N 0 1 268.788 2.538 20 10 CFCDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000896238857 619701705 /nfs/dbraw/zinc/70/17/05/619701705.db2.gz GSRLBQVXSOBILE-SNVBAGLBSA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000896238857 619701706 /nfs/dbraw/zinc/70/17/06/619701706.db2.gz GSRLBQVXSOBILE-SNVBAGLBSA-N 0 1 293.754 2.727 20 10 CFCDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000896238857 619701710 /nfs/dbraw/zinc/70/17/10/619701710.db2.gz GSRLBQVXSOBILE-SNVBAGLBSA-N 0 1 293.754 2.727 20 10 CFCDMN C[C@@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCN1C ZINC000896555917 619761546 /nfs/dbraw/zinc/76/15/46/619761546.db2.gz RZSBKSRWLJEILZ-MLGOLLRUSA-N 0 1 270.376 2.728 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1Cl ZINC000897810014 620288505 /nfs/dbraw/zinc/28/85/05/620288505.db2.gz MLMWLRDUFSRFIG-KQFRYOBMSA-N 0 1 279.767 2.619 20 10 CFCDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000898279675 620363905 /nfs/dbraw/zinc/36/39/05/620363905.db2.gz IVBXHEMLLKFCQA-GFCCVEGCSA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1csc([C@H](C)NCc2cc3c(cc2O)OCO3)n1 ZINC000070939630 625420703 /nfs/dbraw/zinc/42/07/03/625420703.db2.gz YEZFJRVYGAYALI-VIFPVBQESA-N 0 1 292.360 2.737 20 10 CFCDMN CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000322532958 620384755 /nfs/dbraw/zinc/38/47/55/620384755.db2.gz QNLCFIHQAJWISZ-NEPJUHHUSA-N 0 1 286.375 2.721 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)cc1[O-] ZINC000926945082 620429220 /nfs/dbraw/zinc/42/92/20/620429220.db2.gz SWWPXEMGJSTKAR-FCIGDQIPSA-N 0 1 297.782 2.500 20 10 CFCDMN CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000903261622 621303248 /nfs/dbraw/zinc/30/32/48/621303248.db2.gz ZHCCZQCONWVETK-OCTTZUBCSA-N 0 1 296.798 2.740 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)ccc1[O-] ZINC000903318876 621320944 /nfs/dbraw/zinc/32/09/44/621320944.db2.gz UCPWNFFKEYIQMO-WCQYABFASA-N 0 1 268.788 2.790 20 10 CFCDMN Oc1cccc2c1[C@H](N[C@@H](c1ncccn1)C1CC1)CC2 ZINC000903321584 621321928 /nfs/dbraw/zinc/32/19/28/621321928.db2.gz ALLTWMYUBAPDCD-CZUORRHYSA-N 0 1 281.359 2.910 20 10 CFCDMN CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000903392240 621351683 /nfs/dbraw/zinc/35/16/83/621351683.db2.gz PLJBLERVFHHMIF-MFKMUULPSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903409466 621364583 /nfs/dbraw/zinc/36/45/83/621364583.db2.gz XDAXRPKBLULFMI-ZANVPECISA-N 0 1 269.772 2.857 20 10 CFCDMN Nc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CCO2 ZINC000903944815 621483738 /nfs/dbraw/zinc/48/37/38/621483738.db2.gz NQIADGNRGYWCIL-UHFFFAOYSA-N 0 1 288.322 2.508 20 10 CFCDMN CC[C@@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000841820094 622677370 /nfs/dbraw/zinc/67/73/70/622677370.db2.gz MJOOTUIVUKYNOD-QMMMGPOBSA-N 0 1 289.734 2.775 20 10 CFCDMN CC(C)(C)c1cnc(SCCc2c[nH]nn2)s1 ZINC000821085008 622844735 /nfs/dbraw/zinc/84/47/35/622844735.db2.gz VOSDUKPICIJJGE-UHFFFAOYSA-N 0 1 268.411 2.894 20 10 CFCDMN C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1O ZINC000157652296 623044295 /nfs/dbraw/zinc/04/42/95/623044295.db2.gz VVICQYPDAIUQFK-GVXVVHGQSA-N 0 1 266.360 2.665 20 10 CFCDMN Oc1ccc(Br)cc1CNCc1nccs1 ZINC000227438720 623109690 /nfs/dbraw/zinc/10/96/90/623109690.db2.gz QTBATTAFMXUNNF-UHFFFAOYSA-N 0 1 299.193 2.901 20 10 CFCDMN CC(C)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227442248 623110054 /nfs/dbraw/zinc/11/00/54/623110054.db2.gz BVAREHZOPUNOGO-LBPRGKRZSA-N 0 1 257.761 2.542 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC(CCO)CC2)cc1Cl ZINC000824548004 623522170 /nfs/dbraw/zinc/52/21/70/623522170.db2.gz HHZGWTQLXRJRSB-UHFFFAOYSA-N 0 1 283.799 2.948 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636829 623537346 /nfs/dbraw/zinc/53/73/46/623537346.db2.gz UGAHNVGCNHVARI-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000824636829 623537349 /nfs/dbraw/zinc/53/73/49/623537349.db2.gz UGAHNVGCNHVARI-GXFFZTMASA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637180 623537773 /nfs/dbraw/zinc/53/77/73/623537773.db2.gz WMYHPICHFNNORV-YPMHNXCESA-N 0 1 269.772 2.638 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000824815741 623571537 /nfs/dbraw/zinc/57/15/37/623571537.db2.gz YAWJFVUDOUDFDG-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1C ZINC000824815741 623571541 /nfs/dbraw/zinc/57/15/41/623571541.db2.gz YAWJFVUDOUDFDG-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824847246 623577146 /nfs/dbraw/zinc/57/71/46/623577146.db2.gz XKAFAMAURGOSRY-GDBMZVCRSA-N 0 1 295.810 2.932 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1Cl ZINC000824920548 623588712 /nfs/dbraw/zinc/58/87/12/623588712.db2.gz QXQSHQZMBRBUMX-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1Cl ZINC000824920548 623588716 /nfs/dbraw/zinc/58/87/16/623588716.db2.gz QXQSHQZMBRBUMX-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN CCOc1cccc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017442 623607924 /nfs/dbraw/zinc/60/79/24/623607924.db2.gz RMMIQBPYJQJRLG-DGCLKSJQSA-N 0 1 287.363 2.783 20 10 CFCDMN CCOc1ccc(CN[C@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000825017132 623608652 /nfs/dbraw/zinc/60/86/52/623608652.db2.gz MIGBZLADSZZJLU-RISCZKNCSA-N 0 1 287.363 2.783 20 10 CFCDMN CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825038285 623613357 /nfs/dbraw/zinc/61/33/57/623613357.db2.gz WWHQWLHJQCAGJN-CYBMUJFWSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cn2cccn2)cc1Cl ZINC000825102224 623629975 /nfs/dbraw/zinc/62/99/75/623629975.db2.gz LMLMGJFPJREHOD-LLVKDONJSA-N 0 1 279.771 2.729 20 10 CFCDMN CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825258164 623660574 /nfs/dbraw/zinc/66/05/74/623660574.db2.gz AXFFPMVWGYBACQ-CQSZACIVSA-N 0 1 271.788 2.995 20 10 CFCDMN CSC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825291523 623664360 /nfs/dbraw/zinc/66/43/60/623664360.db2.gz MVYRANOUGHVEII-LLVKDONJSA-N 0 1 289.828 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)cc1Cl ZINC000825315801 623669610 /nfs/dbraw/zinc/66/96/10/623669610.db2.gz MSPGRBYUWMHMCF-MNOVXSKESA-N 0 1 269.772 2.869 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338615 623677025 /nfs/dbraw/zinc/67/70/25/623677025.db2.gz RBZICHYQTLWHSZ-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCNC(=O)C(C)C)cc1Cl ZINC000825385187 623683717 /nfs/dbraw/zinc/68/37/17/623683717.db2.gz USFKGWYPHOCRQO-UHFFFAOYSA-N 0 1 298.814 2.606 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(C)O)cc1Cl ZINC000825548942 623713683 /nfs/dbraw/zinc/71/36/83/623713683.db2.gz JOZFAWDPRNSQOQ-UHFFFAOYSA-N 0 1 257.761 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2(C)OCCO2)cc1Cl ZINC000825515071 623706277 /nfs/dbraw/zinc/70/62/77/623706277.db2.gz WXKXNBLVAUXUQP-UHFFFAOYSA-N 0 1 285.771 2.597 20 10 CFCDMN COCCO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825629011 623726043 /nfs/dbraw/zinc/72/60/43/623726043.db2.gz PHRGTXOENISLBO-ZDUSSCGKSA-N 0 1 299.798 2.591 20 10 CFCDMN COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825629011 623726045 /nfs/dbraw/zinc/72/60/45/623726045.db2.gz PHRGTXOENISLBO-ZDUSSCGKSA-N 0 1 299.798 2.591 20 10 CFCDMN COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825731295 623748377 /nfs/dbraw/zinc/74/83/77/623748377.db2.gz FRCLVPKXCHXXMK-ZFWWWQNUSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C2(C)C)cc1Cl ZINC000825954904 623775585 /nfs/dbraw/zinc/77/55/85/623775585.db2.gz CPQFLSJYZMZKDE-ZDUSSCGKSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C2(C)C)cc1Cl ZINC000825954904 623775588 /nfs/dbraw/zinc/77/55/88/623775588.db2.gz CPQFLSJYZMZKDE-ZDUSSCGKSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1Cl ZINC000826017853 623782847 /nfs/dbraw/zinc/78/28/47/623782847.db2.gz WTQQJBZKZHHASJ-XHDPSFHLSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1Cl ZINC000826017852 623783069 /nfs/dbraw/zinc/78/30/69/623783069.db2.gz WTQQJBZKZHHASJ-NHYWBVRUSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1Cl ZINC000826123389 623796320 /nfs/dbraw/zinc/79/63/20/623796320.db2.gz MAYHXEWYCXDLFL-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1Cl ZINC000826123389 623796326 /nfs/dbraw/zinc/79/63/26/623796326.db2.gz MAYHXEWYCXDLFL-VXGBXAGGSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC000826131584 623796914 /nfs/dbraw/zinc/79/69/14/623796914.db2.gz XBDNMRZMLARFQY-ZYHUDNBSSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC000826131584 623796918 /nfs/dbraw/zinc/79/69/18/623796918.db2.gz XBDNMRZMLARFQY-ZYHUDNBSSA-N 0 1 269.772 2.699 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC000826131584 623796923 /nfs/dbraw/zinc/79/69/23/623796923.db2.gz XBDNMRZMLARFQY-ZYHUDNBSSA-N 0 1 269.772 2.699 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@](C)(C3CC3)C2)c1 ZINC000826877582 623901502 /nfs/dbraw/zinc/90/15/02/623901502.db2.gz JOSAIIVRONSGQE-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282299 623981129 /nfs/dbraw/zinc/98/11/29/623981129.db2.gz LYGFQGJORQIBAU-BXUZGUMPSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282299 623981131 /nfs/dbraw/zinc/98/11/31/623981131.db2.gz LYGFQGJORQIBAU-BXUZGUMPSA-N 0 1 267.756 2.514 20 10 CFCDMN Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506022 624019575 /nfs/dbraw/zinc/01/95/75/624019575.db2.gz BEYLOUFWOCATGS-NXEZZACHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506022 624019582 /nfs/dbraw/zinc/01/95/82/624019582.db2.gz BEYLOUFWOCATGS-NXEZZACHSA-N 0 1 282.181 2.997 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506022 624019588 /nfs/dbraw/zinc/01/95/88/624019588.db2.gz BEYLOUFWOCATGS-NXEZZACHSA-N 0 1 282.181 2.997 20 10 CFCDMN CC(C)CN(C(=O)C1=CC(=O)CS1)C1CCN(C)CC1 ZINC000827559699 624031407 /nfs/dbraw/zinc/03/14/07/624031407.db2.gz IAYKZZCXHHWYOO-UHFFFAOYSA-N 0 1 296.436 2.646 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@]1(C)CO ZINC000827691847 624065960 /nfs/dbraw/zinc/06/59/60/624065960.db2.gz CIGACNZXRAYBHV-YMTOWFKASA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]1(C)CO ZINC000827699128 624068722 /nfs/dbraw/zinc/06/87/22/624068722.db2.gz FKTMIXODYSZWJK-YMTOWFKASA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cccc(CN[C@@H](CO)c2ccc(F)cc2F)c1O ZINC000827715777 624074529 /nfs/dbraw/zinc/07/45/29/624074529.db2.gz ORCMMEOWPLNWHF-HNNXBMFYSA-N 0 1 293.313 2.802 20 10 CFCDMN Cc1cccc(CN[C@H](CO)c2ccc(F)cc2F)c1O ZINC000827715778 624074674 /nfs/dbraw/zinc/07/46/74/624074674.db2.gz ORCMMEOWPLNWHF-OAHLLOKOSA-N 0 1 293.313 2.802 20 10 CFCDMN COc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccn1 ZINC000083551788 625977625 /nfs/dbraw/zinc/97/76/25/625977625.db2.gz UMBXZWRSHWDTSX-UHFFFAOYSA-N 0 1 278.739 2.739 20 10 CFCDMN c1cc(CNCc2ccc3c(c2)CCO3)n(C2CCC2)n1 ZINC000921651883 626047883 /nfs/dbraw/zinc/04/78/83/626047883.db2.gz UQXNHAWNCYRNGA-UHFFFAOYSA-N 0 1 283.375 2.833 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000851706150 634479562 /nfs/dbraw/zinc/47/95/62/634479562.db2.gz FSGSFLUDAIFBIT-UHFFFAOYSA-N 0 1 290.407 2.972 20 10 CFCDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccn(C)n2)c(O)c1 ZINC000840817506 626522986 /nfs/dbraw/zinc/52/29/86/626522986.db2.gz UWNSVVKCBISFIU-VXGBXAGGSA-N 0 1 259.353 2.846 20 10 CFCDMN COc1cc(Cl)cc(CN2CC3(C2)CCCOC3)c1O ZINC000839137921 626528342 /nfs/dbraw/zinc/52/83/42/626528342.db2.gz JEBLFEXIYQPQBK-UHFFFAOYSA-N 0 1 297.782 2.667 20 10 CFCDMN COCC1(C)CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839143480 626528850 /nfs/dbraw/zinc/52/88/50/626528850.db2.gz MHOUOHKEPMGJFY-AATRIKPKSA-N 0 1 274.408 2.734 20 10 CFCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051237 626547819 /nfs/dbraw/zinc/54/78/19/626547819.db2.gz CGOBNSOFWQVTQD-ZANVPECISA-N 0 1 286.778 2.744 20 10 CFCDMN C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843051512 626548164 /nfs/dbraw/zinc/54/81/64/626548164.db2.gz JOWREBOYFNJNBL-ZJUUUORDSA-N 0 1 286.778 2.744 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Cl)ccc1[O-] ZINC000840825884 626554551 /nfs/dbraw/zinc/55/45/51/626554551.db2.gz COYSTOWKSJHQFR-SCRDCRAPSA-N 0 1 285.771 2.500 20 10 CFCDMN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000757653635 626557158 /nfs/dbraw/zinc/55/71/58/626557158.db2.gz ATOJLTITVJUWMD-GUBZILKMSA-N 0 1 257.761 2.856 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000763519451 626993140 /nfs/dbraw/zinc/99/31/40/626993140.db2.gz RDIAZWJUSFGMSX-UHFFFAOYSA-N 0 1 266.703 2.870 20 10 CFCDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000768171837 627322951 /nfs/dbraw/zinc/32/29/51/627322951.db2.gz IQPASKYQLNRRAQ-ZFWWWQNUSA-N 0 1 262.397 2.752 20 10 CFCDMN CC(C)C[NH+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)C ZINC000768438252 627342551 /nfs/dbraw/zinc/34/25/51/627342551.db2.gz QNBBOTZDIZKJCD-INIZCTEOSA-N 0 1 293.407 2.932 20 10 CFCDMN CCC(CC)[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768443180 627343402 /nfs/dbraw/zinc/34/34/02/627343402.db2.gz QIWWIYLTNSZVKI-MRXNPFEDSA-N 0 1 291.391 2.971 20 10 CFCDMN CCC(CC)[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768443180 627343406 /nfs/dbraw/zinc/34/34/06/627343406.db2.gz QIWWIYLTNSZVKI-MRXNPFEDSA-N 0 1 291.391 2.971 20 10 CFCDMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448469 627344540 /nfs/dbraw/zinc/34/45/40/627344540.db2.gz VGDVNYIBAZUIDS-BFQNTYOBSA-N 0 1 291.391 2.829 20 10 CFCDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448469 627344544 /nfs/dbraw/zinc/34/45/44/627344544.db2.gz VGDVNYIBAZUIDS-BFQNTYOBSA-N 0 1 291.391 2.829 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCOC1 ZINC000768521751 627349542 /nfs/dbraw/zinc/34/95/42/627349542.db2.gz UXCKPTONJLLMEX-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCOC1 ZINC000768521751 627349546 /nfs/dbraw/zinc/34/95/46/627349546.db2.gz UXCKPTONJLLMEX-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN Oc1cccc(Cl)c1CN1CCCC[C@@H]1C1OCCO1 ZINC000769298348 627420525 /nfs/dbraw/zinc/42/05/25/627420525.db2.gz MTIZPVOKCPDQTC-CYBMUJFWSA-N 0 1 297.782 2.773 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](CCO)C1 ZINC000769332434 627426011 /nfs/dbraw/zinc/42/60/11/627426011.db2.gz DRVLDLAJJVUJPV-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000769332434 627426013 /nfs/dbraw/zinc/42/60/13/627426013.db2.gz DRVLDLAJJVUJPV-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769399495 627434563 /nfs/dbraw/zinc/43/45/63/627434563.db2.gz SPCXCCSPKUWXJM-QGZVFWFLSA-N 0 1 276.424 3.000 20 10 CFCDMN CC(C)C[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000769399495 627434566 /nfs/dbraw/zinc/43/45/66/627434566.db2.gz SPCXCCSPKUWXJM-QGZVFWFLSA-N 0 1 276.424 3.000 20 10 CFCDMN CCOc1ccc(CN2CCOC(C)(C)[C@@H]2C)c(O)c1 ZINC000769451800 627440991 /nfs/dbraw/zinc/44/09/91/627440991.db2.gz OBXXEXXKSQFOBY-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@@H]1COCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769458718 627442243 /nfs/dbraw/zinc/44/22/43/627442243.db2.gz ZDVHBBRCMWYZAB-GFCCVEGCSA-N 0 1 266.360 2.503 20 10 CFCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769514311 627449761 /nfs/dbraw/zinc/44/97/61/627449761.db2.gz IYGZDMJXFKVSBT-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769514311 627449763 /nfs/dbraw/zinc/44/97/63/627449763.db2.gz IYGZDMJXFKVSBT-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769514311 627449766 /nfs/dbraw/zinc/44/97/66/627449766.db2.gz IYGZDMJXFKVSBT-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773732667 627852567 /nfs/dbraw/zinc/85/25/67/627852567.db2.gz RZERYCVONYNQJR-MRXNPFEDSA-N 0 1 262.397 2.754 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@H](C)[C@H]2C)cc1 ZINC000773764752 627856576 /nfs/dbraw/zinc/85/65/76/627856576.db2.gz DMGPVCWMNJFABX-ZIAGYGMSSA-N 0 1 262.397 2.752 20 10 CFCDMN C[C@@H]1CCOCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774648459 627945495 /nfs/dbraw/zinc/94/54/95/627945495.db2.gz JDHDIMQYKOIJJS-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@@H]1CCOCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000774648459 627945496 /nfs/dbraw/zinc/94/54/96/627945496.db2.gz JDHDIMQYKOIJJS-GFCCVEGCSA-N 0 1 272.348 2.551 20 10 CFCDMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000774831621 627968593 /nfs/dbraw/zinc/96/85/93/627968593.db2.gz IEWQAFJQVFUDPK-HZMBPMFUSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904662 627977978 /nfs/dbraw/zinc/97/79/78/627977978.db2.gz IXRZEOWGITWREF-CMPLNLGQSA-N 0 1 294.351 2.929 20 10 CFCDMN COc1c(O)c(C[N@H+]2CC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942726 627980640 /nfs/dbraw/zinc/98/06/40/627980640.db2.gz TZQBRRHOFXCAQI-NSHDSACASA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[N@@H+]2CC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942726 627980644 /nfs/dbraw/zinc/98/06/44/627980644.db2.gz TZQBRRHOFXCAQI-NSHDSACASA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942726 627980647 /nfs/dbraw/zinc/98/06/47/627980647.db2.gz TZQBRRHOFXCAQI-NSHDSACASA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[NH2+]Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000774976030 627982425 /nfs/dbraw/zinc/98/24/25/627982425.db2.gz FYHPANQTQNKZLV-UHFFFAOYSA-N 0 1 292.291 2.500 20 10 CFCDMN C[C@H](NCc1ccc(CO)o1)c1ccc(N(C)C)cc1 ZINC000775365132 628015640 /nfs/dbraw/zinc/01/56/40/628015640.db2.gz ULTBZERWIVROTO-LBPRGKRZSA-N 0 1 274.364 2.689 20 10 CFCDMN CC[C@H]([NH2+]CCCNC(C)=O)c1cc(Cl)ccc1[O-] ZINC000775484385 628029959 /nfs/dbraw/zinc/02/99/59/628029959.db2.gz CGWCERGLNUGDCE-ZDUSSCGKSA-N 0 1 284.787 2.613 20 10 CFCDMN CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775483449 628030275 /nfs/dbraw/zinc/03/02/75/628030275.db2.gz VTTILCKWRBAJDY-CYBMUJFWSA-N 0 1 298.814 2.859 20 10 CFCDMN CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1cc(Cl)ccc1[O-] ZINC000775522646 628033858 /nfs/dbraw/zinc/03/38/58/628033858.db2.gz WLESXTMMAGVAME-LBPRGKRZSA-N 0 1 298.770 2.537 20 10 CFCDMN CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)O ZINC000775680190 628054262 /nfs/dbraw/zinc/05/42/62/628054262.db2.gz CIYIJVROHKAHPQ-SECBINFHSA-N 0 1 275.751 2.776 20 10 CFCDMN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](C)C[N@H+]1C ZINC000775981432 628089962 /nfs/dbraw/zinc/08/99/62/628089962.db2.gz QPJJPPVHCZZSIW-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775981432 628089963 /nfs/dbraw/zinc/08/99/63/628089963.db2.gz QPJJPPVHCZZSIW-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775981432 628089968 /nfs/dbraw/zinc/08/99/68/628089968.db2.gz QPJJPPVHCZZSIW-MNOVXSKESA-N 0 1 268.788 2.570 20 10 CFCDMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cccc(Cl)c1O ZINC000776002976 628092996 /nfs/dbraw/zinc/09/29/96/628092996.db2.gz VZLCOVGEWXYRNJ-GWCFXTLKSA-N 0 1 297.782 2.819 20 10 CFCDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2nc[nH]c2c1 ZINC000779503383 628386074 /nfs/dbraw/zinc/38/60/74/628386074.db2.gz NIEJQLLBRPFPFJ-KXFIGUGUSA-N 0 1 295.298 2.626 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](C(=O)OC)C1CC1 ZINC000782040466 628599017 /nfs/dbraw/zinc/59/90/17/628599017.db2.gz BTVRFKOCSNYURI-HNNXBMFYSA-N 0 1 277.364 2.556 20 10 CFCDMN COc1ccc(CN[C@H](C)c2nccnc2C)cc1C ZINC000783238073 628691222 /nfs/dbraw/zinc/69/12/22/628691222.db2.gz PRUMXELSCIYEPY-CYBMUJFWSA-N 0 1 271.364 2.953 20 10 CFCDMN COc1cc(C)cc(CN2CCc3ncsc3C2)c1O ZINC000783545808 628719292 /nfs/dbraw/zinc/71/92/92/628719292.db2.gz FJEDWIWCHRADBD-UHFFFAOYSA-N 0 1 290.388 2.724 20 10 CFCDMN CN(C)C1(C[N@H+](C)Cc2c([O-])ccc3ccncc32)CCC1 ZINC000783548230 628719586 /nfs/dbraw/zinc/71/95/86/628719586.db2.gz FXBSRXMPSZQHSR-UHFFFAOYSA-N 0 1 299.418 2.857 20 10 CFCDMN CN(C)C1(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)CCC1 ZINC000783548230 628719590 /nfs/dbraw/zinc/71/95/90/628719590.db2.gz FXBSRXMPSZQHSR-UHFFFAOYSA-N 0 1 299.418 2.857 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)[C@H](C)O1 ZINC000783737922 628739730 /nfs/dbraw/zinc/73/97/30/628739730.db2.gz PWJVMAOFHKICFU-RDBSUJKOSA-N 0 1 262.397 2.750 20 10 CFCDMN CO[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C ZINC000783966735 628757938 /nfs/dbraw/zinc/75/79/38/628757938.db2.gz BOPIICAIQSAXCJ-PXAZEXFGSA-N 0 1 286.375 2.797 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@H]1C ZINC000783966735 628757940 /nfs/dbraw/zinc/75/79/40/628757940.db2.gz BOPIICAIQSAXCJ-PXAZEXFGSA-N 0 1 286.375 2.797 20 10 CFCDMN CCn1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1=O ZINC000788524930 629079193 /nfs/dbraw/zinc/07/91/93/629079193.db2.gz ZKVFKMXDVKMJRJ-UHFFFAOYSA-N 0 1 292.766 2.517 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN(C)Cc2cnc[nH]2)c1O ZINC000852287556 634711144 /nfs/dbraw/zinc/71/11/44/634711144.db2.gz ZSPLGPRQJLRBDV-UHFFFAOYSA-N 0 1 293.754 2.603 20 10 CFCDMN COc1cccc(CN(C)Cc2ccc(C)cn2)c1O ZINC000789590625 629169695 /nfs/dbraw/zinc/16/96/95/629169695.db2.gz WHBXDVXEXCCRLI-UHFFFAOYSA-N 0 1 272.348 2.736 20 10 CFCDMN Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789940306 629198492 /nfs/dbraw/zinc/19/84/92/629198492.db2.gz VVGMLXJGIDWSNH-UHFFFAOYSA-N 0 1 261.252 2.798 20 10 CFCDMN Cc1nc(C(C)(C)NCc2c(O)ccc(Cl)c2F)no1 ZINC000790960642 629274085 /nfs/dbraw/zinc/27/40/85/629274085.db2.gz YXIUMXWRCOVOSF-UHFFFAOYSA-N 0 1 299.733 2.901 20 10 CFCDMN COC(=O)C(C)(C)N(C)Cc1c(O)ccc(Cl)c1F ZINC000792166303 629404318 /nfs/dbraw/zinc/40/43/18/629404318.db2.gz UWDXKJNPXRETOR-UHFFFAOYSA-N 0 1 289.734 2.568 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1CCO ZINC000792180804 629406794 /nfs/dbraw/zinc/40/67/94/629406794.db2.gz UTVNUYUNIIVPBQ-VIFPVBQESA-N 0 1 273.735 2.532 20 10 CFCDMN CCOc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c(O)c1 ZINC000793214394 629506398 /nfs/dbraw/zinc/50/63/98/629506398.db2.gz OBKNIZOJCZRYSD-YVEFUNNKSA-N 0 1 291.391 2.790 20 10 CFCDMN Cc1ccncc1CN(C)Cc1cc(F)ccc1O ZINC000793338820 629528388 /nfs/dbraw/zinc/52/83/88/629528388.db2.gz GXXDEQAGRRCGEH-UHFFFAOYSA-N 0 1 260.312 2.867 20 10 CFCDMN Cc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)n(C)n1 ZINC000793530062 629562885 /nfs/dbraw/zinc/56/28/85/629562885.db2.gz VYUJKPDJARZEHE-GFCCVEGCSA-N 0 1 290.386 2.784 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[O-] ZINC000796392158 629912366 /nfs/dbraw/zinc/91/23/66/629912366.db2.gz AJTKPVUEFXGVBJ-ISVAXAHUSA-N 0 1 283.368 2.575 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1[O-] ZINC000852560183 634780023 /nfs/dbraw/zinc/78/00/23/634780023.db2.gz PUVNEDKUISFGGG-QMTHXVAHSA-N 0 1 297.782 2.593 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c1[O-] ZINC000852560183 634780025 /nfs/dbraw/zinc/78/00/25/634780025.db2.gz PUVNEDKUISFGGG-QMTHXVAHSA-N 0 1 297.782 2.593 20 10 CFCDMN CC[C@H](C)N(CC(=O)OC)Cc1cc(C)c(C)cc1O ZINC000798955067 630264322 /nfs/dbraw/zinc/26/43/22/630264322.db2.gz JBGQJYBUANWCTQ-ZDUSSCGKSA-N 0 1 279.380 2.783 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CCO2)CC1 ZINC000799955750 630356115 /nfs/dbraw/zinc/35/61/15/630356115.db2.gz PRDBXZGYXOAKJU-UHFFFAOYSA-N 0 1 284.359 2.695 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)c1cnc[nH]1 ZINC000801550102 630456963 /nfs/dbraw/zinc/45/69/63/630456963.db2.gz NSDZBIHXKHMVLP-UHFFFAOYSA-N 0 1 273.336 2.558 20 10 CFCDMN CCc1nocc1CN(C)Cc1cc(OC)c(C)cc1O ZINC000840089313 630875639 /nfs/dbraw/zinc/87/56/39/630875639.db2.gz KSNHBOMKINZAME-UHFFFAOYSA-N 0 1 290.363 2.892 20 10 CFCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000808431723 630990685 /nfs/dbraw/zinc/99/06/85/630990685.db2.gz LPRQTORMDCLSGI-NSHDSACASA-N 0 1 272.251 2.578 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000808692704 631030171 /nfs/dbraw/zinc/03/01/71/631030171.db2.gz TXJRLXFOVDHTRF-UWVGGRQHSA-N 0 1 294.786 2.894 20 10 CFCDMN COCC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840836530 631236597 /nfs/dbraw/zinc/23/65/97/631236597.db2.gz ZXEHNGYCJGRNGW-QWRGUYRKSA-N 0 1 255.333 2.855 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCc2cnn(C)c2)c(Cl)c1 ZINC000840890523 631253446 /nfs/dbraw/zinc/25/34/46/631253446.db2.gz NNQGISDNVIPCCZ-UHFFFAOYSA-N 0 1 293.798 2.810 20 10 CFCDMN CSC[C@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900016 631255371 /nfs/dbraw/zinc/25/53/71/631255371.db2.gz PAXWLNVYZCYBJP-JTQLQIEISA-N 0 1 289.828 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)C[C@@H](C)O)c(Cl)c1 ZINC000840898866 631256009 /nfs/dbraw/zinc/25/60/09/631256009.db2.gz GTSXLPJITKNOAW-GHMZBOCLSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCSC2)c(Cl)c1 ZINC000840903391 631256447 /nfs/dbraw/zinc/25/64/47/631256447.db2.gz CAILKYNAOFZITB-SECBINFHSA-N 0 1 257.786 2.949 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)[S@@](C)=O)c(Cl)c1 ZINC000840909773 631261414 /nfs/dbraw/zinc/26/14/14/631261414.db2.gz VXALCRSFUQRDBQ-XTZNXHDOSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC000840915019 631263337 /nfs/dbraw/zinc/26/33/37/631263337.db2.gz ZAINBQJPQPMLJJ-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC000840915019 631263341 /nfs/dbraw/zinc/26/33/41/631263341.db2.gz ZAINBQJPQPMLJJ-GFCCVEGCSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCOCC12CCC2 ZINC000840917771 631264062 /nfs/dbraw/zinc/26/40/62/631264062.db2.gz MMWYZFHKDPDEAV-UHFFFAOYSA-N 0 1 274.408 2.816 20 10 CFCDMN CCc1cc(CNCc2ccc(N(C)C)cc2C)on1 ZINC000840931539 631267307 /nfs/dbraw/zinc/26/73/07/631267307.db2.gz MWIIMKBSPDMBNT-UHFFFAOYSA-N 0 1 273.380 2.901 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C(C)C)C1 ZINC000840936400 631268951 /nfs/dbraw/zinc/26/89/51/631268951.db2.gz HVPVKZMMVZBOPE-QGZVFWFLSA-N 0 1 276.424 2.918 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCOC2)c(Cl)c1 ZINC000840938733 631270399 /nfs/dbraw/zinc/27/03/99/631270399.db2.gz GEMVIGSCALYRQE-NSHDSACASA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCCCO)c(Cl)c1 ZINC000840940630 631271972 /nfs/dbraw/zinc/27/19/72/631271972.db2.gz INTOWMSAKJTNFY-UHFFFAOYSA-N 0 1 257.761 2.606 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840941313 631272162 /nfs/dbraw/zinc/27/21/62/631272162.db2.gz WHFGVOVBNBDRPC-CYBMUJFWSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c(Cl)c1 ZINC000840941313 631272165 /nfs/dbraw/zinc/27/21/65/631272165.db2.gz WHFGVOVBNBDRPC-CYBMUJFWSA-N 0 1 269.772 2.557 20 10 CFCDMN CO[C@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840946019 631274800 /nfs/dbraw/zinc/27/48/00/631274800.db2.gz FYGOLWUTKWIUND-SNVBAGLBSA-N 0 1 257.761 2.821 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840946019 631274809 /nfs/dbraw/zinc/27/48/09/631274809.db2.gz FYGOLWUTKWIUND-SNVBAGLBSA-N 0 1 257.761 2.821 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN(C(C)C)C1COC1 ZINC000840948973 631276935 /nfs/dbraw/zinc/27/69/35/631276935.db2.gz KSJJEJQLZPNKCP-UHFFFAOYSA-N 0 1 262.397 2.670 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840954240 631280935 /nfs/dbraw/zinc/28/09/35/631280935.db2.gz IVDABZDDQWEEEG-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000840954240 631280943 /nfs/dbraw/zinc/28/09/43/631280943.db2.gz IVDABZDDQWEEEG-KRWDZBQOSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H](C3CCC3)C2)c1O ZINC000840955428 631282078 /nfs/dbraw/zinc/28/20/78/631282078.db2.gz UVYHFHULFIJYRR-INIZCTEOSA-N 0 1 291.391 2.792 20 10 CFCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H](O)C(C)C ZINC000840967461 631287973 /nfs/dbraw/zinc/28/79/73/631287973.db2.gz NPZKQZVKCURSAM-GXTWGEPZSA-N 0 1 271.788 2.931 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840970501 631289700 /nfs/dbraw/zinc/28/97/00/631289700.db2.gz AINLQHAPKMIOPP-CMPLNLGQSA-N 0 1 291.725 2.684 20 10 CFCDMN CCCC[N@H+](C)C[C@H](C)NCc1cc(F)ccc1O ZINC000809793181 631292110 /nfs/dbraw/zinc/29/21/10/631292110.db2.gz SWDUBYRZBHGKOM-LBPRGKRZSA-N 0 1 268.376 2.741 20 10 CFCDMN CC[C@@H]([NH2+][C@@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220499 631346512 /nfs/dbraw/zinc/34/65/12/631346512.db2.gz YYKIDSCFYDXOFX-GZMMTYOYSA-N 0 1 277.286 2.833 20 10 CFCDMN C[C@@H]([NH2+]CCN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745371 631463156 /nfs/dbraw/zinc/46/31/56/631463156.db2.gz YLEFEVVGJZNDAH-LLVKDONJSA-N 0 1 268.788 2.792 20 10 CFCDMN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745609 631463175 /nfs/dbraw/zinc/46/31/75/631463175.db2.gz REHJMVSUTVIBGF-GHMZBOCLSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H]([NH2+]CCc1cnccn1)c1ccc(Cl)cc1[O-] ZINC000841752901 631467066 /nfs/dbraw/zinc/46/70/66/631467066.db2.gz VUMFBNJRXWVWCF-JTQLQIEISA-N 0 1 277.755 2.729 20 10 CFCDMN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)cc1[O-] ZINC000841755421 631467256 /nfs/dbraw/zinc/46/72/56/631467256.db2.gz PIPQGFMCFMEDDV-TVQRCGJNSA-N 0 1 287.812 2.564 20 10 CFCDMN C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(Cl)cc1[O-] ZINC000841757128 631467843 /nfs/dbraw/zinc/46/78/43/631467843.db2.gz DXJHWZYEUIPRSB-SNVBAGLBSA-N 0 1 292.770 2.598 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841758220 631467859 /nfs/dbraw/zinc/46/78/59/631467859.db2.gz GPSAFNHZJWSEBJ-BIMULSAOSA-N 0 1 269.772 3.000 20 10 CFCDMN CCN(Cc1cncn1CC)Cc1ccc(N(C)C)cc1 ZINC000841830756 631477996 /nfs/dbraw/zinc/47/79/96/631477996.db2.gz OTKKAUMYQSBQTB-UHFFFAOYSA-N 0 1 286.423 2.991 20 10 CFCDMN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000842755382 631729835 /nfs/dbraw/zinc/72/98/35/631729835.db2.gz YBYFFMOQJVYPAX-GHMZBOCLSA-N 0 1 271.788 2.932 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123915 631843835 /nfs/dbraw/zinc/84/38/35/631843835.db2.gz RQXBJRPDXDRDSY-OAHLLOKOSA-N 0 1 280.799 2.621 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOC[C@@H]2C2CCC2)c1 ZINC000843428459 631955505 /nfs/dbraw/zinc/95/55/05/631955505.db2.gz JODZYLPCETZKIT-MRXNPFEDSA-N 0 1 291.391 2.792 20 10 CFCDMN COc1ccc(O)c(CN2C[C@H](C)OC3(CCC3)C2)c1 ZINC000843433012 631957125 /nfs/dbraw/zinc/95/71/25/631957125.db2.gz UEUUASYCYVKXOC-LBPRGKRZSA-N 0 1 277.364 2.544 20 10 CFCDMN COc1cccc(CNCc2cc(F)ccc2F)c1O ZINC000105496122 632169631 /nfs/dbraw/zinc/16/96/31/632169631.db2.gz YOMBBHMQEIHSQV-UHFFFAOYSA-N 0 1 279.286 2.969 20 10 CFCDMN Cc1cc(CN2C[C@H](C)OC[C@@H]2C)ccc1N(C)C ZINC000815011376 632187154 /nfs/dbraw/zinc/18/71/54/632187154.db2.gz LBABTTQXFMLBCR-KBPBESRZSA-N 0 1 262.397 2.670 20 10 CFCDMN COc1cccc(CNc2cc3c(cn2)CCC3)c1O ZINC000815159605 632220054 /nfs/dbraw/zinc/22/00/54/632220054.db2.gz WKBMTFXZZZUVDD-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN NC(=O)CC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816488345 632470217 /nfs/dbraw/zinc/47/02/17/632470217.db2.gz QNDCURICTZZYSH-UHFFFAOYSA-N 0 1 298.386 2.633 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1c1ncon1 ZINC000816499178 632471308 /nfs/dbraw/zinc/47/13/08/632471308.db2.gz IBIZXMPDXWNVIM-LLVKDONJSA-N 0 1 297.717 2.905 20 10 CFCDMN C[N@@H+](Cc1cn[nH]c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816512466 632475823 /nfs/dbraw/zinc/47/58/23/632475823.db2.gz JVAVEIFVLFXJDJ-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000816518946 632478593 /nfs/dbraw/zinc/47/85/93/632478593.db2.gz SNPHFOQOKRWZIW-AWEZNQCLSA-N 0 1 285.746 2.797 20 10 CFCDMN [O-]c1c(C[NH2+]CCc2cnccn2)ccc2ccccc21 ZINC000816560621 632484332 /nfs/dbraw/zinc/48/43/32/632484332.db2.gz UWTKWHBBORSZAE-UHFFFAOYSA-N 0 1 279.343 2.668 20 10 CFCDMN Cc1cn2c(n1)CN(Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816567228 632486123 /nfs/dbraw/zinc/48/61/23/632486123.db2.gz VFOSOQRTMNVXBT-UHFFFAOYSA-N 0 1 295.745 2.705 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H](C(N)=O)C1 ZINC000816574583 632488213 /nfs/dbraw/zinc/48/82/13/632488213.db2.gz MRUCXJCVMKPOME-WBMJQRKESA-N 0 1 298.386 2.631 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H](C(N)=O)C1 ZINC000816574583 632488215 /nfs/dbraw/zinc/48/82/15/632488215.db2.gz MRUCXJCVMKPOME-WBMJQRKESA-N 0 1 298.386 2.631 20 10 CFCDMN CN(CC[N@@H+](C)C1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816611471 632493975 /nfs/dbraw/zinc/49/39/75/632493975.db2.gz QUHFSVKPQYZUFR-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN [O-]c1c(C[NH2+]CC[C@H](O)C(F)(F)F)ccc2ccccc12 ZINC000816610185 632494694 /nfs/dbraw/zinc/49/46/94/632494694.db2.gz ARJWWIUCRFMIQH-ZDUSSCGKSA-N 0 1 299.292 2.948 20 10 CFCDMN CCOc1ccc(CN(C)Cc2conc2CC)c(O)c1 ZINC000816652347 632504595 /nfs/dbraw/zinc/50/45/95/632504595.db2.gz HUOIUBXGVVBTKQ-UHFFFAOYSA-N 0 1 290.363 2.973 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(Cl)c1 ZINC000817413397 632625545 /nfs/dbraw/zinc/62/55/45/632625545.db2.gz XIVGVDDSFBXFBX-RYUDHWBXSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c(Cl)c1 ZINC000817413397 632625546 /nfs/dbraw/zinc/62/55/46/632625546.db2.gz XIVGVDDSFBXFBX-RYUDHWBXSA-N 0 1 283.799 2.804 20 10 CFCDMN COc1cccc(CN2C[C@@H](C)OCC23CCC3)c1O ZINC000846067578 632628304 /nfs/dbraw/zinc/62/83/04/632628304.db2.gz UKAFRSHMOVRYFD-GFCCVEGCSA-N 0 1 277.364 2.544 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111889 632635540 /nfs/dbraw/zinc/63/55/40/632635540.db2.gz ODXNXVOBVORRKD-DTORHVGOSA-N 0 1 277.673 2.882 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCC[C@H](F)C1 ZINC000846119778 632640078 /nfs/dbraw/zinc/64/00/78/632640078.db2.gz IQRNANLJERNDSU-AWEZNQCLSA-N 0 1 250.361 2.995 20 10 CFCDMN CCN1C[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000846208885 632661148 /nfs/dbraw/zinc/66/11/48/632661148.db2.gz NKXNTMWJHMVVDB-MNOVXSKESA-N 0 1 296.798 2.565 20 10 CFCDMN CCN(C)c1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000846264434 632676513 /nfs/dbraw/zinc/67/65/13/632676513.db2.gz CXVMLBWMABTRAG-UHFFFAOYSA-N 0 1 278.396 2.685 20 10 CFCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846277870 632681007 /nfs/dbraw/zinc/68/10/07/632681007.db2.gz JXOPDMXDIPGNNM-CYBMUJFWSA-N 0 1 278.396 2.746 20 10 CFCDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881043 632717084 /nfs/dbraw/zinc/71/70/84/632717084.db2.gz FIVWHOMSXXBFSJ-GXSJLCMTSA-N 0 1 283.755 2.588 20 10 CFCDMN C[NH2+]CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817951613 632751685 /nfs/dbraw/zinc/75/16/85/632751685.db2.gz HJRCLYHNSZDNDQ-ZETCQYMHSA-N 0 1 263.168 2.569 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060507 635921068 /nfs/dbraw/zinc/92/10/68/635921068.db2.gz APOJUPHTXXHOIV-NEPJUHHUSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060507 635921070 /nfs/dbraw/zinc/92/10/70/635921070.db2.gz APOJUPHTXXHOIV-NEPJUHHUSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(Cl)c1 ZINC000857060507 635921072 /nfs/dbraw/zinc/92/10/72/635921072.db2.gz APOJUPHTXXHOIV-NEPJUHHUSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1CO ZINC000857061266 635922181 /nfs/dbraw/zinc/92/21/81/635922181.db2.gz NIRUCONCBWIKLF-GXSJLCMTSA-N 0 1 287.762 2.635 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1Cl ZINC000857061308 635922321 /nfs/dbraw/zinc/92/23/21/635922321.db2.gz OEAXXPJBHMXVDY-ZWNOBZJWSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1Cl ZINC000857061308 635922322 /nfs/dbraw/zinc/92/23/22/635922322.db2.gz OEAXXPJBHMXVDY-ZWNOBZJWSA-N 0 1 283.799 2.804 20 10 CFCDMN CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000848558639 633288897 /nfs/dbraw/zinc/28/88/97/633288897.db2.gz NNKKKHORTKKTBM-SJKOYZFVSA-N 0 1 289.375 2.593 20 10 CFCDMN CCc1cccc(CN([C@@H](C)C(=O)OC)C2CCC2)c1O ZINC000848906518 633392000 /nfs/dbraw/zinc/39/20/00/633392000.db2.gz VTLFOUNFICSJQL-LBPRGKRZSA-N 0 1 291.391 2.871 20 10 CFCDMN C[C@H]1C[C@H](NCc2c(O)ccc(Cl)c2F)c2ncnn21 ZINC000850352483 633952186 /nfs/dbraw/zinc/95/21/86/633952186.db2.gz YGQQBCPSHDXQSF-XVKPBYJWSA-N 0 1 296.733 2.572 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C2(CO)CC2)c(Cl)c1 ZINC000850361892 633956465 /nfs/dbraw/zinc/95/64/65/633956465.db2.gz WWTWFEPJBCADIH-SNVBAGLBSA-N 0 1 269.772 2.605 20 10 CFCDMN Cn1ncc(C2CC2)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000850379964 633968018 /nfs/dbraw/zinc/96/80/18/633968018.db2.gz KWQDWXFISSQZDG-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN CCCN1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000850395433 633975423 /nfs/dbraw/zinc/97/54/23/633975423.db2.gz SDVVOKSVYNUXNH-LBPRGKRZSA-N 0 1 282.815 2.928 20 10 CFCDMN CN(C)c1ccc(CN[C@@H]2CCCn3nccc32)cc1F ZINC000850431190 633989720 /nfs/dbraw/zinc/98/97/20/633989720.db2.gz UJOUAMYOCNJSJD-CQSZACIVSA-N 0 1 288.370 2.713 20 10 CFCDMN CC[C@@H]([NH2+]CCN(C)OC)c1cc(Cl)ccc1[O-] ZINC000850479304 634009741 /nfs/dbraw/zinc/00/97/41/634009741.db2.gz PSBZPFCSTLJYKX-GFCCVEGCSA-N 0 1 272.776 2.580 20 10 CFCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c(O)c1C ZINC000850498719 634018813 /nfs/dbraw/zinc/01/88/13/634018813.db2.gz CAIWFPQDEOQDQU-SCDSUCTJSA-N 0 1 286.379 2.957 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCC(F)(F)F ZINC000111607844 635113149 /nfs/dbraw/zinc/11/31/49/635113149.db2.gz ZSCKCKWCNNICBI-UHFFFAOYSA-N 0 1 283.677 2.714 20 10 CFCDMN CC(C)C[C@H](C[NH2+]Cc1cccc(F)c1O)CC(=O)[O-] ZINC000854244181 635270567 /nfs/dbraw/zinc/27/05/67/635270567.db2.gz SXHIMODBYNRPCF-NSHDSACASA-N 0 1 283.343 2.758 20 10 CFCDMN C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875064 636044115 /nfs/dbraw/zinc/04/41/15/636044115.db2.gz VEWSYGOIPSMOSQ-SJKOYZFVSA-N 0 1 296.370 2.756 20 10 CFCDMN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccccc1O ZINC000857875066 636044389 /nfs/dbraw/zinc/04/43/89/636044389.db2.gz VEWSYGOIPSMOSQ-YVEFUNNKSA-N 0 1 296.370 2.756 20 10 CFCDMN CN(C)c1ccc(/C=C\CN2CCc3n[nH]cc3C2)cc1 ZINC000857877706 636044850 /nfs/dbraw/zinc/04/48/50/636044850.db2.gz OSOPELIDFSOCDL-ARJAWSKDSA-N 0 1 282.391 2.547 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@H]2C=CCC2)cc1F ZINC000858188177 636151440 /nfs/dbraw/zinc/15/14/40/636151440.db2.gz AWRMROPUPADGLK-NSHDSACASA-N 0 1 252.308 2.839 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000858297078 636179390 /nfs/dbraw/zinc/17/93/90/636179390.db2.gz ACYUOVLBXFGWBE-MLGOLLRUSA-N 0 1 296.361 2.688 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858584549 636300443 /nfs/dbraw/zinc/30/04/43/636300443.db2.gz SNJWRZRDEIFZPW-FBIMIBRVSA-N 0 1 255.745 2.874 20 10 CFCDMN CN(Cc1cnc(C2CC2)o1)Cc1ccccc1O ZINC000862228871 637292622 /nfs/dbraw/zinc/29/26/22/637292622.db2.gz ZCTYFSRVYWIJOP-UHFFFAOYSA-N 0 1 258.321 2.890 20 10 CFCDMN C[C@H](O)[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301598 637317688 /nfs/dbraw/zinc/31/76/88/637317688.db2.gz GNKZCTWQFAUVQX-RYUDHWBXSA-N 0 1 298.377 2.624 20 10 CFCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)C[C@@H](C)OC ZINC000862372908 637342470 /nfs/dbraw/zinc/34/24/70/637342470.db2.gz AXNVSLPAZQODAR-LLVKDONJSA-N 0 1 286.366 2.888 20 10 CFCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000862373886 637343711 /nfs/dbraw/zinc/34/37/11/637343711.db2.gz HMDHZYSALOQUDP-GFCCVEGCSA-N 0 1 284.350 2.642 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](CO)CC2)cc1F ZINC000862381179 637347035 /nfs/dbraw/zinc/34/70/35/637347035.db2.gz XSKNZORWHFWHOA-GFCCVEGCSA-N 0 1 298.377 2.625 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@H](CCCO)C2)cc1F ZINC000862390861 637352387 /nfs/dbraw/zinc/35/23/87/637352387.db2.gz HNYUOOIGOOEEIX-LBPRGKRZSA-N 0 1 298.377 2.625 20 10 CFCDMN Cc1nc(CNCc2cc(Cl)ccc2O)[nH]c1C ZINC000862400702 637359900 /nfs/dbraw/zinc/35/99/00/637359900.db2.gz CQONFBVXRMWFIU-UHFFFAOYSA-N 0 1 265.744 2.675 20 10 CFCDMN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000862487273 637402223 /nfs/dbraw/zinc/40/22/23/637402223.db2.gz NJHPSSYLSYVENJ-ZDUSSCGKSA-N 0 1 295.766 2.787 20 10 CFCDMN COc1cccc(O)c1CN1CCc2c(O)cccc2C1 ZINC000862528891 637407792 /nfs/dbraw/zinc/40/77/92/637407792.db2.gz DRBRGOVWGPAKOI-UHFFFAOYSA-N 0 1 285.343 2.665 20 10 CFCDMN CCCN(Cc1ccccc1O)[C@H](CC)C(=O)OCC ZINC000076073971 650364389 /nfs/dbraw/zinc/36/43/89/650364389.db2.gz BLDCJVFSEUNWAS-CQSZACIVSA-N 0 1 279.380 2.946 20 10 CFCDMN CCN(CC)c1ccc(CNc2ncnc3[nH]cnc32)cc1 ZINC000076844929 650406792 /nfs/dbraw/zinc/40/67/92/650406792.db2.gz OGHCQJVDECKMJZ-UHFFFAOYSA-N 0 1 296.378 2.811 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442050 638821583 /nfs/dbraw/zinc/82/15/83/638821583.db2.gz CMRFIWAMGSGXHL-HQJQHLMTSA-N 0 1 279.714 2.712 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000866489145 638829917 /nfs/dbraw/zinc/82/99/17/638829917.db2.gz FBVDOEXJOXZBAR-ZHAHWJHGSA-N 0 1 255.745 2.610 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000123664820 641344098 /nfs/dbraw/zinc/34/40/98/641344098.db2.gz KYEQTMNTEAGXSK-GFCCVEGCSA-N 0 1 299.798 2.578 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872272042 641730828 /nfs/dbraw/zinc/73/08/28/641730828.db2.gz JKVXRSSVHWWWRZ-OAHLLOKOSA-N 0 1 298.377 2.999 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000872272039 641731479 /nfs/dbraw/zinc/73/14/79/641731479.db2.gz JKVXRSSVHWWWRZ-HNNXBMFYSA-N 0 1 298.377 2.999 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCOC2=O)c(Cl)c1 ZINC000873160224 642042740 /nfs/dbraw/zinc/04/27/40/642042740.db2.gz NZDMCXRZWZRKHG-NSHDSACASA-N 0 1 297.782 2.787 20 10 CFCDMN CCOc1cccc(CN[C@H](C)c2nccnc2C)c1O ZINC000873188776 642055847 /nfs/dbraw/zinc/05/58/47/642055847.db2.gz KZPMUZOXIVOMES-GFCCVEGCSA-N 0 1 287.363 2.740 20 10 CFCDMN Cc1ccc(C[N@H+](CCCO)CC(C)(C)C)c([O-])c1 ZINC000876696494 642977612 /nfs/dbraw/zinc/97/76/12/642977612.db2.gz GKMVDWRFMHMTBA-UHFFFAOYSA-N 0 1 265.397 2.931 20 10 CFCDMN Cc1ccc(C[N@@H+](CCCO)CC(C)(C)C)c([O-])c1 ZINC000876696494 642977616 /nfs/dbraw/zinc/97/76/16/642977616.db2.gz GKMVDWRFMHMTBA-UHFFFAOYSA-N 0 1 265.397 2.931 20 10 CFCDMN 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/nfs/dbraw/zinc/21/44/03/779214403.db2.gz JAJZWDUQAJQWSZ-SNVBAGLBSA-N 0 1 273.735 2.796 20 10 CFCDMN Cc1cc(F)cc(CN(C)Cc2ccccn2)c1O ZINC001238056264 779241218 /nfs/dbraw/zinc/24/12/18/779241218.db2.gz GHLFXBIVSCIPSD-UHFFFAOYSA-N 0 1 260.312 2.867 20 10 CFCDMN Cc1cc(F)cc(C[N@@H+]2CCOC[C@@H]2C(C)C)c1O ZINC001238066715 779243779 /nfs/dbraw/zinc/24/37/79/779243779.db2.gz JKFXYLCAOFWYIC-CQSZACIVSA-N 0 1 267.344 2.697 20 10 CFCDMN Cc1cc(F)cc(CN2CCOC[C@@H]2C(C)C)c1O ZINC001238066715 779243783 /nfs/dbraw/zinc/24/37/83/779243783.db2.gz JKFXYLCAOFWYIC-CQSZACIVSA-N 0 1 267.344 2.697 20 10 CFCDMN CC1(C)CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[NH2+]1 ZINC001235838713 779383538 /nfs/dbraw/zinc/38/35/38/779383538.db2.gz XXOYYBMIZGBFQO-UHFFFAOYSA-N 0 1 289.206 2.883 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC([NH+]2CCC2)CC1 ZINC001237127821 779664435 /nfs/dbraw/zinc/66/44/35/779664435.db2.gz IUSFUTIERMZDMS-UHFFFAOYSA-N 0 1 298.789 2.855 20 10 CFCDMN CCC[NH+]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237127030 779664607 /nfs/dbraw/zinc/66/46/07/779664607.db2.gz SFLJOWJPJUEDMF-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001237933656 779724370 /nfs/dbraw/zinc/72/43/70/779724370.db2.gz FMYQEZTUHLNHRB-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237935399 779725273 /nfs/dbraw/zinc/72/52/73/779725273.db2.gz DRSXCLAOTGMKEG-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001237935399 779725280 /nfs/dbraw/zinc/72/52/80/779725280.db2.gz DRSXCLAOTGMKEG-LBPRGKRZSA-N 0 1 298.789 2.855 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000765101158 779879414 /nfs/dbraw/zinc/87/94/14/779879414.db2.gz WTSWZBHAAXMZII-NWDGAFQWSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]1OCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000765101158 779879418 /nfs/dbraw/zinc/87/94/18/779879418.db2.gz WTSWZBHAAXMZII-NWDGAFQWSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000765101158 779879420 /nfs/dbraw/zinc/87/94/20/779879420.db2.gz WTSWZBHAAXMZII-NWDGAFQWSA-N 0 1 272.348 2.550 20 10 CFCDMN C[C@@H]([NH2+]C1COCCOC1)c1ccc2ccccc2c1[O-] ZINC000386662688 779935965 /nfs/dbraw/zinc/93/59/65/779935965.db2.gz ASDZEEZQLPEPSC-GFCCVEGCSA-N 0 1 287.359 2.611 20 10 CFCDMN CC[C@@H](NCc1nnc(C)n1C)c1cc(Cl)ccc1O ZINC001116647592 780208001 /nfs/dbraw/zinc/20/80/01/780208001.db2.gz DRVVJJLBBLLECT-GFCCVEGCSA-N 0 1 294.786 2.723 20 10 CFCDMN CCOC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701015798 780748449 /nfs/dbraw/zinc/74/84/49/780748449.db2.gz RBWKNTQSZBFYGY-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN CCO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701661614 780822823 /nfs/dbraw/zinc/82/28/23/780822823.db2.gz IPJOYSPWZXMTOD-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN CCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701661614 780822833 /nfs/dbraw/zinc/82/28/33/780822833.db2.gz IPJOYSPWZXMTOD-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN CN(c1ccccc1)c1cc(C2=CCCN(C)C2)ncn1 ZINC001241567486 780984950 /nfs/dbraw/zinc/98/49/50/780984950.db2.gz FAPBWIGMQONCCE-UHFFFAOYSA-N 0 1 280.375 2.963 20 10 CFCDMN Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000703229160 780999309 /nfs/dbraw/zinc/99/93/09/780999309.db2.gz HXASTMSQGYQWFP-QMMMGPOBSA-N 0 1 268.263 2.818 20 10 CFCDMN COC[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703439815 781016649 /nfs/dbraw/zinc/01/66/49/781016649.db2.gz TYMXVFDUFXFUFN-AWEZNQCLSA-N 0 1 271.307 2.529 20 10 CFCDMN CC1(O)CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000703526343 781025154 /nfs/dbraw/zinc/02/51/54/781025154.db2.gz RNYYJDLZYLTAOL-UHFFFAOYSA-N 0 1 269.772 2.829 20 10 CFCDMN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(F)ccc1[O-] ZINC000703547702 781028767 /nfs/dbraw/zinc/02/87/67/781028767.db2.gz HSQDKRVNCRUHDT-CKQAKLJMSA-N 0 1 267.344 2.876 20 10 CFCDMN Cc1nocc1CNCc1c(O)cccc1Br ZINC000706842101 781208967 /nfs/dbraw/zinc/20/89/67/781208967.db2.gz LGRDKKUVGMLMET-UHFFFAOYSA-N 0 1 297.152 2.741 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000707052214 781221488 /nfs/dbraw/zinc/22/14/88/781221488.db2.gz GRKRXLZJUHSMKZ-RNCFNFMXSA-N 0 1 265.740 2.842 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]32)c1O ZINC000707052214 781221489 /nfs/dbraw/zinc/22/14/89/781221489.db2.gz GRKRXLZJUHSMKZ-RNCFNFMXSA-N 0 1 265.740 2.842 20 10 CFCDMN C[C@@H]1N(Cc2cc(F)ccc2O)CCOC1(C)C ZINC000708257041 781268512 /nfs/dbraw/zinc/26/85/12/781268512.db2.gz IZYHCIZKDWDZDZ-JTQLQIEISA-N 0 1 253.317 2.531 20 10 CFCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708433132 781274714 /nfs/dbraw/zinc/27/47/14/781274714.db2.gz HHEPMQWHHJPYCV-NSHDSACASA-N 0 1 285.334 2.919 20 10 CFCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708433128 781275078 /nfs/dbraw/zinc/27/50/78/781275078.db2.gz HHEPMQWHHJPYCV-LLVKDONJSA-N 0 1 285.334 2.919 20 10 CFCDMN CC(C)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031050 781288312 /nfs/dbraw/zinc/28/83/12/781288312.db2.gz SNRDDNFUJXZFCS-CYBMUJFWSA-N 0 1 269.772 2.902 20 10 CFCDMN COc1ccc2c(c1)CN(Cc1ccccc1O)C2 ZINC000710289105 781332502 /nfs/dbraw/zinc/33/25/02/781332502.db2.gz ZUFVHOCVILIKST-UHFFFAOYSA-N 0 1 255.317 2.917 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294792457 199184763 /nfs/dbraw/zinc/18/47/63/199184763.db2.gz VIIBSPABRIELNE-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN CCOCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076275397 374543244 /nfs/dbraw/zinc/54/32/44/374543244.db2.gz ZFJNMWZIEFDGTR-UHFFFAOYSA-N 0 1 288.185 2.671 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)O[C@@H](CC)C2)c1O ZINC000092487135 375116055 /nfs/dbraw/zinc/11/60/55/375116055.db2.gz GCWJQSASGNQIPW-JSGCOSHPSA-N 0 1 279.380 2.790 20 10 CFCDMN CCN(CC[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000113332838 376011050 /nfs/dbraw/zinc/01/10/50/376011050.db2.gz JWTBZXWGEJNHQI-UHFFFAOYSA-N 0 1 268.788 2.620 20 10 CFCDMN CC[C@@H](C)[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342578 376011750 /nfs/dbraw/zinc/01/17/50/376011750.db2.gz PSROQCBUXBBGDT-NOZJJQNGSA-N 0 1 257.761 2.542 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000124530084 377060403 /nfs/dbraw/zinc/06/04/03/377060403.db2.gz QXXADPZOUDVPSG-NSHDSACASA-N 0 1 255.745 2.656 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124599768 377068222 /nfs/dbraw/zinc/06/82/22/377068222.db2.gz VBHBXYMRUWBOGQ-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000124588461 377068705 /nfs/dbraw/zinc/06/87/05/377068705.db2.gz FQJYMXJKAKCKKS-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN CS[C@@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000125814167 377195341 /nfs/dbraw/zinc/19/53/41/377195341.db2.gz JZJZFPMNCPYHEU-QMMMGPOBSA-N 0 1 290.226 2.996 20 10 CFCDMN CCCOc1ccc(C[N@@H+](C)CCn2cccn2)c(O)c1 ZINC000125305574 377140721 /nfs/dbraw/zinc/14/07/21/377140721.db2.gz PWXTYTLMMISBKG-UHFFFAOYSA-N 0 1 289.379 2.510 20 10 CFCDMN COc1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1O ZINC000125682397 377184073 /nfs/dbraw/zinc/18/40/73/377184073.db2.gz XKWMMWMGWVDWEP-QGZVFWFLSA-N 0 1 299.370 2.974 20 10 CFCDMN C[C@H](c1ccco1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000131126826 377663735 /nfs/dbraw/zinc/66/37/35/377663735.db2.gz VGECJKLDBBDOCX-SNVBAGLBSA-N 0 1 275.304 2.907 20 10 CFCDMN COC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000132144306 377806103 /nfs/dbraw/zinc/80/61/03/377806103.db2.gz KCLYTEZMHJYRGH-UHFFFAOYSA-N 0 1 255.745 2.656 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H]3CCC[C@@H]32)c1O ZINC000132773396 377875738 /nfs/dbraw/zinc/87/57/38/377875738.db2.gz ANSCLEAIXROWRJ-KBPBESRZSA-N 0 1 277.364 2.544 20 10 CFCDMN Cc1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000179780004 380580951 /nfs/dbraw/zinc/58/09/51/380580951.db2.gz ZSOYFRCODAUJGV-CYBMUJFWSA-N 0 1 271.364 2.803 20 10 CFCDMN C[C@@H]([NH2+]Cc1cnnn1C)c1ccc2ccccc2c1[O-] ZINC000287404424 380824149 /nfs/dbraw/zinc/82/41/49/380824149.db2.gz RDTIMXLZIYUFFY-LLVKDONJSA-N 0 1 282.347 2.525 20 10 CFCDMN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000287477382 380839964 /nfs/dbraw/zinc/83/99/64/380839964.db2.gz MRUZRUJGUSOPMP-NSHDSACASA-N 0 1 299.798 2.628 20 10 CFCDMN CC[C@H](NCC(F)(F)CO)c1cccc(Cl)c1O ZINC000287660821 380902320 /nfs/dbraw/zinc/90/23/20/380902320.db2.gz LSBQCSWLJYEYDP-JTQLQIEISA-N 0 1 279.714 2.714 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2cnccc2OC)c1 ZINC000287940399 380977102 /nfs/dbraw/zinc/97/71/02/380977102.db2.gz XLEDMXISNNAASB-LLVKDONJSA-N 0 1 288.347 2.655 20 10 CFCDMN CCn1ccnc1CN[C@H](C)c1ccc(C)cc1O ZINC000296302205 381339148 /nfs/dbraw/zinc/33/91/48/381339148.db2.gz FYHHOLDNGVFPCF-GFCCVEGCSA-N 0 1 259.353 2.768 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCCOC(C)(C)C2)c1O ZINC000370171295 381399165 /nfs/dbraw/zinc/39/91/65/381399165.db2.gz YCPVIEQBUUBFDX-UHFFFAOYSA-N 0 1 295.354 2.735 20 10 CFCDMN CCOc1cccc(CN[C@@H](CCO)c2ccco2)c1O ZINC000184518640 381426701 /nfs/dbraw/zinc/42/67/01/381426701.db2.gz YXHOUYJXUPUZGK-ZDUSSCGKSA-N 0 1 291.347 2.597 20 10 CFCDMN Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000296557221 381446172 /nfs/dbraw/zinc/44/61/72/381446172.db2.gz RYVOSJIMUPAESC-FFHGMXDLSA-N 0 1 274.408 2.976 20 10 CFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1[O-] ZINC000296625736 381477846 /nfs/dbraw/zinc/47/78/46/381477846.db2.gz XCDDNMPJFANVFK-HLVVYCRESA-N 0 1 278.371 2.807 20 10 CFCDMN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185510622 381653003 /nfs/dbraw/zinc/65/30/03/381653003.db2.gz UPLWDKWLHJKQJT-MWODSPESSA-N 0 1 289.828 2.809 20 10 CFCDMN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000186130849 381829766 /nfs/dbraw/zinc/82/97/66/381829766.db2.gz RNCSSNCAFZBBHR-JQWIXIFHSA-N 0 1 289.379 2.714 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000186554206 381946187 /nfs/dbraw/zinc/94/61/87/381946187.db2.gz HKJMBZVZLGHIII-RISCZKNCSA-N 0 1 291.347 2.768 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000187670281 382241119 /nfs/dbraw/zinc/24/11/19/382241119.db2.gz OSCDOCYNOHCZIZ-WQHBLYJGSA-N 0 1 269.772 2.856 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377790029 382346434 /nfs/dbraw/zinc/34/64/34/382346434.db2.gz WDZHEIMATZVZQP-MRVPVSSYSA-N 0 1 295.745 2.555 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000293929858 382340713 /nfs/dbraw/zinc/34/07/13/382340713.db2.gz HFWUPELNBSFMSO-AWEZNQCLSA-N 0 1 267.344 2.778 20 10 CFCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000294118649 382422146 /nfs/dbraw/zinc/42/21/46/382422146.db2.gz GFXQIMVADHTABP-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000378472366 382467698 /nfs/dbraw/zinc/46/76/98/382467698.db2.gz IMPCXJHQZOXQMZ-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000378472366 382467703 /nfs/dbraw/zinc/46/77/03/382467703.db2.gz IMPCXJHQZOXQMZ-RISCZKNCSA-N 0 1 280.799 2.572 20 10 CFCDMN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000189400290 382603621 /nfs/dbraw/zinc/60/36/21/382603621.db2.gz MWUDXASPOUOTTF-VHSXEESVSA-N 0 1 284.787 2.563 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CCC(CF)CC2)c1O ZINC000295190470 382579754 /nfs/dbraw/zinc/57/97/54/382579754.db2.gz SZAYTWJHQQJFQZ-UHFFFAOYSA-N 0 1 283.318 2.915 20 10 CFCDMN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190304805 382661397 /nfs/dbraw/zinc/66/13/97/382661397.db2.gz CEFJKDHHJRAZTF-BXUZGUMPSA-N 0 1 283.799 2.995 20 10 CFCDMN Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000237990494 382976741 /nfs/dbraw/zinc/97/67/41/382976741.db2.gz SKAAOUBHQXTQTD-KRWDZBQOSA-N 0 1 295.386 2.872 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCCO1 ZINC000281204092 385186837 /nfs/dbraw/zinc/18/68/37/385186837.db2.gz AREHTRXNSBTUBM-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H](O)CSC ZINC000282341700 385286950 /nfs/dbraw/zinc/28/69/50/385286950.db2.gz BYGFRCSACZFSKF-AWEZNQCLSA-N 0 1 283.437 2.718 20 10 CFCDMN Oc1ccccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000271305351 385378855 /nfs/dbraw/zinc/37/88/55/385378855.db2.gz UCSCRMMYIFBJSF-QGZVFWFLSA-N 0 1 269.344 2.966 20 10 CFCDMN CC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccccc1O ZINC000271339735 385380715 /nfs/dbraw/zinc/38/07/15/385380715.db2.gz JMRCILXICOCTJW-CYBMUJFWSA-N 0 1 277.364 2.698 20 10 CFCDMN C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000273370002 385679050 /nfs/dbraw/zinc/67/90/50/385679050.db2.gz CEURULAONQJMJA-UWVGGRQHSA-N 0 1 256.777 2.646 20 10 CFCDMN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000273790691 385695976 /nfs/dbraw/zinc/69/59/76/385695976.db2.gz UJGOWDNHDJIBGI-UWVGGRQHSA-N 0 1 285.771 2.723 20 10 CFCDMN CC(C)N(C(=O)[C@H](C)N(C)Cc1ccccc1O)C(C)C ZINC000109769874 393879494 /nfs/dbraw/zinc/87/94/94/393879494.db2.gz IMTZCGFYJUDWNK-AWEZNQCLSA-N 0 1 292.423 2.858 20 10 CFCDMN CC[C@@H](COC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000120217255 393931180 /nfs/dbraw/zinc/93/11/80/393931180.db2.gz GGLFEVFWXJBMIC-NSHDSACASA-N 0 1 288.185 2.669 20 10 CFCDMN CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171417 394076595 /nfs/dbraw/zinc/07/65/95/394076595.db2.gz GWRAGJIWTDSRLB-JTQLQIEISA-N 0 1 285.771 2.819 20 10 CFCDMN CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1cccc(Cl)c1[O-] ZINC000287673477 394208396 /nfs/dbraw/zinc/20/83/96/394208396.db2.gz MGRPFUOOGIEVAR-GFCCVEGCSA-N 0 1 294.786 2.756 20 10 CFCDMN CC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1cccc(Cl)c1[O-] ZINC000287673477 394208399 /nfs/dbraw/zinc/20/83/99/394208399.db2.gz MGRPFUOOGIEVAR-GFCCVEGCSA-N 0 1 294.786 2.756 20 10 CFCDMN CC[C@@H]([NH2+]CCCO)c1cc(Br)ccc1[O-] ZINC000020188099 171052532 /nfs/dbraw/zinc/05/25/32/171052532.db2.gz ISEUPELXMYMJIO-LLVKDONJSA-N 0 1 288.185 2.578 20 10 CFCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000020207146 171071573 /nfs/dbraw/zinc/07/15/73/171071573.db2.gz XLVFIRRMSHBUKY-NOZJJQNGSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@@H]([NH2+]CCN(C)C)c1ccc2ccccc2c1[O-] ZINC000022209643 171373099 /nfs/dbraw/zinc/37/30/99/171373099.db2.gz OZMOXRBONWUEAM-GFCCVEGCSA-N 0 1 258.365 2.758 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367738660 267114503 /nfs/dbraw/zinc/11/45/03/267114503.db2.gz BRXSQNLMCKRPIB-DGCLKSJQSA-N 0 1 281.783 2.904 20 10 CFCDMN C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134237 267147189 /nfs/dbraw/zinc/14/71/89/267147189.db2.gz LLPMLSGQUXHGMR-WFASDCNBSA-N 0 1 294.826 2.962 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000368666268 267196376 /nfs/dbraw/zinc/19/63/76/267196376.db2.gz KQVOANWNFOFSTE-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000368666268 267196378 /nfs/dbraw/zinc/19/63/78/267196378.db2.gz KQVOANWNFOFSTE-HNNXBMFYSA-N 0 1 283.799 2.886 20 10 CFCDMN [O-]c1ccc2ccccc2c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000369829672 267270744 /nfs/dbraw/zinc/27/07/44/267270744.db2.gz DYOHYKDHFXSMEV-CQSZACIVSA-N 0 1 293.370 2.916 20 10 CFCDMN COc1c([O-])c(C[N@@H+](CC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000278307514 274090176 /nfs/dbraw/zinc/09/01/76/274090176.db2.gz WNTPALXJFLTDCD-UHFFFAOYSA-N 0 1 294.351 2.929 20 10 CFCDMN COC[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000230672239 277260062 /nfs/dbraw/zinc/26/00/62/277260062.db2.gz QZLADCRFWGWALV-OCCSQVGLSA-N 0 1 289.375 2.857 20 10 CFCDMN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527783595 330283224 /nfs/dbraw/zinc/28/32/24/330283224.db2.gz MOJNHZDSQCPQAJ-OLZOCXBDSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@@H]([NH2+]CC1COC1)c1ccc2ccccc2c1[O-] ZINC000528029181 330305230 /nfs/dbraw/zinc/30/52/30/330305230.db2.gz YEDJBLCYEOFEOT-LLVKDONJSA-N 0 1 257.333 2.842 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)CCOCC2CC2)c1O ZINC000088558724 518283214 /nfs/dbraw/zinc/28/32/14/518283214.db2.gz ZJBHRDCYMVPXGQ-UHFFFAOYSA-N 0 1 295.354 2.592 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)C[C@H]2CCCCO2)c1O ZINC000048949097 518283693 /nfs/dbraw/zinc/28/36/93/518283693.db2.gz JWMVNVPASAJJRH-CQSZACIVSA-N 0 1 295.354 2.735 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H]3CCC[C@H]32)c1O ZINC000228144429 521340563 /nfs/dbraw/zinc/34/05/63/521340563.db2.gz ANSCLEAIXROWRJ-ZIAGYGMSSA-N 0 1 277.364 2.544 20 10 CFCDMN CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000191208431 521710796 /nfs/dbraw/zinc/71/07/96/521710796.db2.gz DZOCRHSFQJFNGC-QWRGUYRKSA-N 0 1 284.350 2.663 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000278149385 521868327 /nfs/dbraw/zinc/86/83/27/521868327.db2.gz CCQXQHSETHGLSJ-UHFFFAOYSA-N 0 1 280.324 2.683 20 10 CFCDMN CCc1cnc(CNCc2cccc(OC)c2O)s1 ZINC000230707076 522037217 /nfs/dbraw/zinc/03/72/17/522037217.db2.gz MJIDZQPXRBJORP-UHFFFAOYSA-N 0 1 278.377 2.710 20 10 CFCDMN COC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000211425743 522474730 /nfs/dbraw/zinc/47/47/30/522474730.db2.gz RGOWDOYCJDBTMH-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000211425743 522474744 /nfs/dbraw/zinc/47/47/44/522474744.db2.gz RGOWDOYCJDBTMH-SNVBAGLBSA-N 0 1 255.745 2.514 20 10 CFCDMN COC[C@@H]1CCN1Cc1cc(Cl)cc(C)c1O ZINC000293738919 522484562 /nfs/dbraw/zinc/48/45/62/522484562.db2.gz VNZMACFPVMNDNE-LBPRGKRZSA-N 0 1 255.745 2.575 20 10 CFCDMN CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(C)cc1O ZINC000280132147 522906167 /nfs/dbraw/zinc/90/61/67/522906167.db2.gz OZQWQNOPNOYZQT-NVXWUHKLSA-N 0 1 298.386 2.968 20 10 CFCDMN CC[C@@H](N[C@@H](C)c1nncn1C)c1ccc(C)cc1O ZINC000280239033 522917786 /nfs/dbraw/zinc/91/77/86/522917786.db2.gz VTQIKAMZLQOQRW-WCQYABFASA-N 0 1 274.368 2.631 20 10 CFCDMN COCC1=CC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000274883976 522921860 /nfs/dbraw/zinc/92/18/60/522921860.db2.gz BXBGLCAYQSALQC-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN COCC1=CC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000274883976 522921874 /nfs/dbraw/zinc/92/18/74/522921874.db2.gz BXBGLCAYQSALQC-UHFFFAOYSA-N 0 1 267.756 2.824 20 10 CFCDMN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C2CC2)O1 ZINC000280105665 524612285 /nfs/dbraw/zinc/61/22/85/524612285.db2.gz AZOLCVUHYHSWTH-BONVTDFDSA-N 0 1 265.328 2.531 20 10 CFCDMN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000044986832 524777940 /nfs/dbraw/zinc/77/79/40/524777940.db2.gz YSCDRANTZGUZJS-GFCCVEGCSA-N 0 1 259.353 2.900 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CCCO)c1cc(F)ccc1[O-] ZINC000230666444 525311089 /nfs/dbraw/zinc/31/10/89/525311089.db2.gz JGTHXELKFFHLKC-NSHDSACASA-N 0 1 269.360 2.981 20 10 CFCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000035136817 525446263 /nfs/dbraw/zinc/44/62/63/525446263.db2.gz JZLRDFCHQWFLMA-AWEZNQCLSA-N 0 1 286.375 2.967 20 10 CFCDMN C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881348 525570727 /nfs/dbraw/zinc/57/07/27/525570727.db2.gz GDBRDPLWDDEMNB-GDLCADMTSA-N 0 1 296.361 2.948 20 10 CFCDMN C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881348 525570740 /nfs/dbraw/zinc/57/07/40/525570740.db2.gz GDBRDPLWDDEMNB-GDLCADMTSA-N 0 1 296.361 2.948 20 10 CFCDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC000290929619 526267171 /nfs/dbraw/zinc/26/71/71/526267171.db2.gz OUMDJTZENBDYCK-CYBMUJFWSA-N 0 1 291.782 2.998 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245642678 526326818 /nfs/dbraw/zinc/32/68/18/526326818.db2.gz DXKBGRQLWXVTTA-OLZOCXBDSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@H+](C2CC2)CC1 ZINC000191288785 526344722 /nfs/dbraw/zinc/34/47/22/526344722.db2.gz SIBCALIWDXLSID-UHFFFAOYSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246445973 526346773 /nfs/dbraw/zinc/34/67/73/526346773.db2.gz NNXOEPKSMGFGQO-TZMCWYRMSA-N 0 1 299.823 2.752 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246445973 526346777 /nfs/dbraw/zinc/34/67/77/526346777.db2.gz NNXOEPKSMGFGQO-TZMCWYRMSA-N 0 1 299.823 2.752 20 10 CFCDMN O=c1[nH]ccc2c1C[N@H+](Cc1c([O-])cccc1Cl)CC2 ZINC000276979323 526362348 /nfs/dbraw/zinc/36/23/48/526362348.db2.gz FFECEBLITAYKDJ-UHFFFAOYSA-N 0 1 290.750 2.705 20 10 CFCDMN O=c1[nH]ccc2c1C[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC000276979323 526362353 /nfs/dbraw/zinc/36/23/53/526362353.db2.gz FFECEBLITAYKDJ-UHFFFAOYSA-N 0 1 290.750 2.705 20 10 CFCDMN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)n[nH]1 ZINC000292998657 526524052 /nfs/dbraw/zinc/52/40/52/526524052.db2.gz YXPHSTSQTXLEMD-UHFFFAOYSA-N 0 1 260.341 2.537 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCC[C@H]1O ZINC000305748503 651074822 /nfs/dbraw/zinc/07/48/22/651074822.db2.gz VIISJQCJHWJGDB-ZWNOBZJWSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000754425935 574095572 /nfs/dbraw/zinc/09/55/72/574095572.db2.gz NPBYQRUPQSWSBM-SFYZADRCSA-N 0 1 294.380 2.576 20 10 CFCDMN CC(C)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845475 574130475 /nfs/dbraw/zinc/13/04/75/574130475.db2.gz AGKHCOYJHVKXGJ-UHFFFAOYSA-N 0 1 290.407 2.661 20 10 CFCDMN COCC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000732798333 574172414 /nfs/dbraw/zinc/17/24/14/574172414.db2.gz MCNYWRCOMIQWDD-UHFFFAOYSA-N 0 1 286.375 2.799 20 10 CFCDMN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1F ZINC000729150040 574179808 /nfs/dbraw/zinc/17/98/08/574179808.db2.gz IDOWZTGUJMRPBH-UVTDQMKNSA-N 0 1 296.301 2.596 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCSC1 ZINC000755792995 574187741 /nfs/dbraw/zinc/18/77/41/574187741.db2.gz KGBQUMUZLJQPMH-LBPRGKRZSA-N 0 1 274.389 2.878 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCSC1 ZINC000755792995 574187743 /nfs/dbraw/zinc/18/77/43/574187743.db2.gz KGBQUMUZLJQPMH-LBPRGKRZSA-N 0 1 274.389 2.878 20 10 CFCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCCC1=O ZINC000729264866 574194522 /nfs/dbraw/zinc/19/45/22/574194522.db2.gz GOWOSQYQBLKEFU-UHFFFAOYSA-N 0 1 289.423 2.543 20 10 CFCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756625698 574253135 /nfs/dbraw/zinc/25/31/35/574253135.db2.gz KWEYSFHBTXXZQT-GMXVVIOVSA-N 0 1 269.360 2.979 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(F)cn2)c1 ZINC000756661175 574256535 /nfs/dbraw/zinc/25/65/35/574256535.db2.gz ZCXRYMDTMNUFBJ-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756732788 574259708 /nfs/dbraw/zinc/25/97/08/574259708.db2.gz LZRCDTUZTBUFGY-JTQLQIEISA-N 0 1 294.786 2.550 20 10 CFCDMN C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(F)ccc1[O-] ZINC000756764672 574261142 /nfs/dbraw/zinc/26/11/42/574261142.db2.gz JVMFLSCBEBISDQ-LLVKDONJSA-N 0 1 267.344 2.735 20 10 CFCDMN C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)c2c1c(F)ccc2[O-] ZINC000756770525 574261890 /nfs/dbraw/zinc/26/18/90/574261890.db2.gz KYOWVMJAHNXXMB-ZPFDUUQYSA-N 0 1 279.355 2.973 20 10 CFCDMN C[C@H](NCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000756778266 574262450 /nfs/dbraw/zinc/26/24/50/574262450.db2.gz NNQYKZZUSIXZBW-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000741262039 574285232 /nfs/dbraw/zinc/28/52/32/574285232.db2.gz UCMLELKISFMTRZ-ZDUSSCGKSA-N 0 1 281.739 2.770 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000749798860 574310073 /nfs/dbraw/zinc/31/00/73/574310073.db2.gz UACGBWFAIHHLAG-GJZGRUSLSA-N 0 1 298.386 2.799 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000749798860 574310076 /nfs/dbraw/zinc/31/00/76/574310076.db2.gz UACGBWFAIHHLAG-GJZGRUSLSA-N 0 1 298.386 2.799 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1cn2ccccc2n1 ZINC000742371031 574324891 /nfs/dbraw/zinc/32/48/91/574324891.db2.gz GIRLXFLKETXFKI-UHFFFAOYSA-N 0 1 294.402 2.999 20 10 CFCDMN C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000725849643 574330552 /nfs/dbraw/zinc/33/05/52/574330552.db2.gz SRPGPVBSFSDZSW-SNVBAGLBSA-N 0 1 277.755 2.556 20 10 CFCDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000819380961 597045464 /nfs/dbraw/zinc/04/54/64/597045464.db2.gz WCBMXVVTRUDVBB-GFCCVEGCSA-N 0 1 289.375 2.568 20 10 CFCDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128816341 598151343 /nfs/dbraw/zinc/15/13/43/598151343.db2.gz RESTXYDRPSBQGF-SNVBAGLBSA-N 0 1 283.755 2.732 20 10 CFCDMN C/C(=C\C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000825730025 601219540 /nfs/dbraw/zinc/21/95/40/601219540.db2.gz QDJSNJAGLSKZCC-JLHYYAGUSA-N 0 1 288.391 2.748 20 10 CFCDMN Cc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000315820712 604465380 /nfs/dbraw/zinc/46/53/80/604465380.db2.gz AUCDEKSYYHIAHR-MRXNPFEDSA-N 0 1 297.354 2.712 20 10 CFCDMN C[N@@H+](Cc1cc(F)ccc1O)C1(C(=O)[O-])CCCCC1 ZINC000394227457 605480246 /nfs/dbraw/zinc/48/02/46/605480246.db2.gz MMFDSDOJMGOXBH-UHFFFAOYSA-N 0 1 281.327 2.751 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000833662668 605929820 /nfs/dbraw/zinc/92/98/20/605929820.db2.gz JTSDYRFFMXIRHL-CQSZACIVSA-N 0 1 293.363 2.620 20 10 CFCDMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000160176567 617606275 /nfs/dbraw/zinc/60/62/75/617606275.db2.gz KJQAYKNKHQKSBS-GXTWGEPZSA-N 0 1 279.380 2.709 20 10 CFCDMN COc1cc(C)cc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000777965787 617725350 /nfs/dbraw/zinc/72/53/50/617725350.db2.gz GBBVURAKFGGIAB-AAEUAGOBSA-N 0 1 267.344 2.889 20 10 CFCDMN CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758228 617835994 /nfs/dbraw/zinc/83/59/94/617835994.db2.gz SOGBEWCSNMGXJK-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758228 617835999 /nfs/dbraw/zinc/83/59/99/617835999.db2.gz SOGBEWCSNMGXJK-ZDUSSCGKSA-N 0 1 296.798 2.536 20 10 CFCDMN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093337679 617840668 /nfs/dbraw/zinc/84/06/68/617840668.db2.gz NXHOPUDDNCAKST-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093337679 617840672 /nfs/dbraw/zinc/84/06/72/617840672.db2.gz NXHOPUDDNCAKST-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763391 617843946 /nfs/dbraw/zinc/84/39/46/617843946.db2.gz UYXFMAWSJKAQDM-ZDUSSCGKSA-N 0 1 296.798 2.535 20 10 CFCDMN CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763391 617843955 /nfs/dbraw/zinc/84/39/55/617843955.db2.gz UYXFMAWSJKAQDM-ZDUSSCGKSA-N 0 1 296.798 2.535 20 10 CFCDMN CCC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000177581508 617966785 /nfs/dbraw/zinc/96/67/85/617966785.db2.gz JZXVPCJRUALKHV-CYBMUJFWSA-N 0 1 257.761 2.686 20 10 CFCDMN C[C@@H]1[C@H](C)OCCN1Cc1cc2c(cc1O)CCCC2 ZINC000160432521 618063920 /nfs/dbraw/zinc/06/39/20/618063920.db2.gz UKCZWKWPNUCAJU-OLZOCXBDSA-N 0 1 275.392 2.880 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111038 618092314 /nfs/dbraw/zinc/09/23/14/618092314.db2.gz JXXJGJLLHFREDR-DTORHVGOSA-N 0 1 259.683 2.743 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111038 618092318 /nfs/dbraw/zinc/09/23/18/618092318.db2.gz JXXJGJLLHFREDR-DTORHVGOSA-N 0 1 259.683 2.743 20 10 CFCDMN CN(Cc1c2c(nn1C)CCC2)Cc1ccc(N(C)C)cc1 ZINC000891397357 618185913 /nfs/dbraw/zinc/18/59/13/618185913.db2.gz MZMZXCZOSDCSCB-UHFFFAOYSA-N 0 1 298.434 2.607 20 10 CFCDMN COCCN(Cc1cc(F)cc(F)c1O)CC(F)(F)F ZINC000893979853 618259540 /nfs/dbraw/zinc/25/95/40/618259540.db2.gz GGCUXFMHJOFMIF-UHFFFAOYSA-N 0 1 299.239 2.681 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000895150311 618394692 /nfs/dbraw/zinc/39/46/92/618394692.db2.gz JUQWRESOLGLWPO-GFCCVEGCSA-N 0 1 287.762 2.922 20 10 CFCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCOC1 ZINC000312724540 618477431 /nfs/dbraw/zinc/47/74/31/618477431.db2.gz IWGBNSGIWRDPKR-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCOC1 ZINC000312724540 618477433 /nfs/dbraw/zinc/47/74/33/618477433.db2.gz IWGBNSGIWRDPKR-CYBMUJFWSA-N 0 1 297.782 2.859 20 10 CFCDMN CC1=NO[C@@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000895300703 618520045 /nfs/dbraw/zinc/52/00/45/618520045.db2.gz RLAQBYOXVNVFDI-SNVBAGLBSA-N 0 1 268.744 2.608 20 10 CFCDMN C[N@@H+](CC1=CCSC1)Cc1cc(F)cc(F)c1[O-] ZINC000895349148 618543863 /nfs/dbraw/zinc/54/38/63/618543863.db2.gz AWVNYAOSEYMIJL-UHFFFAOYSA-N 0 1 271.332 2.775 20 10 CFCDMN C[C@H]([NH2+]CCCn1ccnn1)c1ccc2ccccc2c1[O-] ZINC000181982312 618725777 /nfs/dbraw/zinc/72/57/77/618725777.db2.gz YSGGSOAEVNPFKV-ZDUSSCGKSA-N 0 1 296.374 2.878 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000840900335 618924868 /nfs/dbraw/zinc/92/48/68/618924868.db2.gz QHJKTLTWNNVGLT-RISCZKNCSA-N 0 1 283.799 2.995 20 10 CFCDMN CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186818717 619076122 /nfs/dbraw/zinc/07/61/22/619076122.db2.gz SUYZAHRDLWCEEC-LBPRGKRZSA-N 0 1 286.375 2.674 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000840936622 619077438 /nfs/dbraw/zinc/07/74/38/619077438.db2.gz NCPBDEHNUZKMNT-INIZCTEOSA-N 0 1 284.407 2.951 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840937564 619077770 /nfs/dbraw/zinc/07/77/70/619077770.db2.gz RTEIALQVZSMOLK-GHMZBOCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840937564 619077771 /nfs/dbraw/zinc/07/77/71/619077771.db2.gz RTEIALQVZSMOLK-GHMZBOCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000840938798 619078679 /nfs/dbraw/zinc/07/86/79/619078679.db2.gz ROTDAHBYYDWEKA-NSHDSACASA-N 0 1 291.782 2.655 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCC2CC(O)C2)c(Cl)c1 ZINC000840942272 619093992 /nfs/dbraw/zinc/09/39/92/619093992.db2.gz XLYNHSXPHISHCC-UHFFFAOYSA-N 0 1 269.772 2.605 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000840949024 619117548 /nfs/dbraw/zinc/11/75/48/619117548.db2.gz ODSPPUQCLUFVRC-LLVKDONJSA-N 0 1 297.704 2.757 20 10 CFCDMN CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O ZINC000893895603 619241516 /nfs/dbraw/zinc/24/15/16/619241516.db2.gz PESOUIDOHASUOC-ZDUSSCGKSA-N 0 1 299.317 2.588 20 10 CFCDMN COc1cc(C)cc(CNCc2cccc(F)n2)c1O ZINC000894359268 619349916 /nfs/dbraw/zinc/34/99/16/619349916.db2.gz MWSDXOXOVLTMSX-UHFFFAOYSA-N 0 1 276.311 2.533 20 10 CFCDMN Oc1c(F)cc(F)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000894461594 619392499 /nfs/dbraw/zinc/39/24/99/619392499.db2.gz IVRCJONBEYQPNM-LBPRGKRZSA-N 0 1 279.290 2.731 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C)c2C)cc1OC ZINC000894461607 619392672 /nfs/dbraw/zinc/39/26/72/619392672.db2.gz JGKSGFYDNYNCIG-UHFFFAOYSA-N 0 1 275.352 2.680 20 10 CFCDMN COc1cc(C)cc(CN[C@H](CCO)c2ccco2)c1O ZINC000894476240 619395698 /nfs/dbraw/zinc/39/56/98/619395698.db2.gz WAVHNDKRPYAQGC-CYBMUJFWSA-N 0 1 291.347 2.516 20 10 CFCDMN [O-]c1c(C[NH2+][C@H](CO)CC(F)F)ccc2ccccc12 ZINC000894565667 619420277 /nfs/dbraw/zinc/42/02/77/619420277.db2.gz FXHXVQMXINETCI-LBPRGKRZSA-N 0 1 281.302 2.651 20 10 CFCDMN Cc1ncoc1CNCc1cc(Br)ccc1O ZINC000894755053 619458273 /nfs/dbraw/zinc/45/82/73/619458273.db2.gz MOQIBOZAIAMVFB-UHFFFAOYSA-N 0 1 297.152 2.741 20 10 CFCDMN CCn1ccnc1[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894911929 619512141 /nfs/dbraw/zinc/51/21/41/619512141.db2.gz OKKULUIHOKMPAU-GFCCVEGCSA-N 0 1 289.379 2.776 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC000895572381 619556666 /nfs/dbraw/zinc/55/66/66/619556666.db2.gz CQSWNYYNXBMOFC-MRVPVSSYSA-N 0 1 288.706 2.745 20 10 CFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896961286 619906829 /nfs/dbraw/zinc/90/68/29/619906829.db2.gz XGKKZVPWVVKCFY-OAHLLOKOSA-N 0 1 299.370 2.930 20 10 CFCDMN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000896961286 619906831 /nfs/dbraw/zinc/90/68/31/619906831.db2.gz XGKKZVPWVVKCFY-OAHLLOKOSA-N 0 1 299.370 2.930 20 10 CFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000896961286 619906832 /nfs/dbraw/zinc/90/68/32/619906832.db2.gz XGKKZVPWVVKCFY-OAHLLOKOSA-N 0 1 299.370 2.930 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccn(C)n1 ZINC000840722518 619989196 /nfs/dbraw/zinc/98/91/96/619989196.db2.gz IOVFSMFEKOOCDM-CYBMUJFWSA-N 0 1 272.396 2.645 20 10 CFCDMN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841753774 620236306 /nfs/dbraw/zinc/23/63/06/620236306.db2.gz WBSPDOJHDYUFFR-LZVRBXCZSA-N 0 1 287.812 2.607 20 10 CFCDMN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756535 620250404 /nfs/dbraw/zinc/25/04/04/620250404.db2.gz XEEDUKZSLUAWPX-NXEZZACHSA-N 0 1 284.787 2.609 20 10 CFCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000903393614 621352502 /nfs/dbraw/zinc/35/25/02/621352502.db2.gz QFACEOAUCSJIBB-PTRXPTGYSA-N 0 1 255.745 2.731 20 10 CFCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000183715209 625534118 /nfs/dbraw/zinc/53/41/18/625534118.db2.gz MRMGRHDOLNGMFF-LLVKDONJSA-N 0 1 286.331 2.709 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1CC1 ZINC000163756027 622922364 /nfs/dbraw/zinc/92/23/64/622922364.db2.gz ODGOIXFGKAURTH-UHFFFAOYSA-N 0 1 256.143 2.654 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000164206446 622942412 /nfs/dbraw/zinc/94/24/12/622942412.db2.gz BMGXDMJENRSNER-LBPRGKRZSA-N 0 1 279.380 2.709 20 10 CFCDMN COc1cc(C)cc(CN2CCOC3(CCCC3)C2)c1O ZINC000164517206 622958098 /nfs/dbraw/zinc/95/80/98/622958098.db2.gz FYQHKRQPLSHLRZ-UHFFFAOYSA-N 0 1 291.391 2.854 20 10 CFCDMN CCOC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000158086032 623094311 /nfs/dbraw/zinc/09/43/11/623094311.db2.gz HJPRXFABPLZYOB-UHFFFAOYSA-N 0 1 297.782 2.821 20 10 CFCDMN CCOC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000158086032 623094316 /nfs/dbraw/zinc/09/43/16/623094316.db2.gz HJPRXFABPLZYOB-UHFFFAOYSA-N 0 1 297.782 2.821 20 10 CFCDMN CN1CCCc2cc(CNCc3ccncc3F)ccc21 ZINC000823729890 623387565 /nfs/dbraw/zinc/38/75/65/623387565.db2.gz MDKWVGCREKORQT-UHFFFAOYSA-N 0 1 285.366 2.893 20 10 CFCDMN Cn1nc(C2CC2)cc1CNCc1ccc2c(c1)CCO2 ZINC000823752873 623391240 /nfs/dbraw/zinc/39/12/40/623391240.db2.gz OLUDZDXKVUUJJC-UHFFFAOYSA-N 0 1 283.375 2.522 20 10 CFCDMN CC[C@H](N[C@H]1CCn2ccnc21)c1ccccc1O ZINC000824527596 623517712 /nfs/dbraw/zinc/51/77/12/623517712.db2.gz WUOOFOOYTUUZAC-STQMWFEESA-N 0 1 257.337 2.774 20 10 CFCDMN CC[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1O ZINC000824527595 623517896 /nfs/dbraw/zinc/51/78/96/623517896.db2.gz WUOOFOOYTUUZAC-QWHCGFSZSA-N 0 1 257.337 2.774 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000824636842 623538081 /nfs/dbraw/zinc/53/80/81/623538081.db2.gz UIKVDNFHILVUBS-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696290 623546381 /nfs/dbraw/zinc/54/63/81/623546381.db2.gz KEEQIXTYSDGGTP-ZMSDIMECSA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696290 623546388 /nfs/dbraw/zinc/54/63/88/623546388.db2.gz KEEQIXTYSDGGTP-ZMSDIMECSA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696288 623547092 /nfs/dbraw/zinc/54/70/92/623547092.db2.gz KEEQIXTYSDGGTP-INMHGKMJSA-N 0 1 275.392 2.908 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696288 623547098 /nfs/dbraw/zinc/54/70/98/623547098.db2.gz KEEQIXTYSDGGTP-INMHGKMJSA-N 0 1 275.392 2.908 20 10 CFCDMN COc1ccc2c(c1)CN(Cc1ccccc1O)CCO2 ZINC000824909079 623585662 /nfs/dbraw/zinc/58/56/62/623585662.db2.gz IMXFZRJUUOASBI-UHFFFAOYSA-N 0 1 285.343 2.795 20 10 CFCDMN Cc1cc(O)c(CN2CC[S@](=O)C(C)(C)CC2)cc1C ZINC000825024949 623609529 /nfs/dbraw/zinc/60/95/29/623609529.db2.gz WTBMPQQJTLWXQW-FQEVSTJZSA-N 0 1 295.448 2.742 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCOC2)cc1Cl ZINC000825131064 623636649 /nfs/dbraw/zinc/63/66/49/623636649.db2.gz IVTQREKXDUWKHI-LLVKDONJSA-N 0 1 269.772 2.870 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCc2cnn(C)c2)cc1Cl ZINC000825186314 623646903 /nfs/dbraw/zinc/64/69/03/623646903.db2.gz ZDPBTKDWOCTJAU-UHFFFAOYSA-N 0 1 293.798 2.810 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC[C@H]2O)ccc2ccccc21 ZINC000825232032 623655501 /nfs/dbraw/zinc/65/55/01/623655501.db2.gz LFIRABDAOIQPHO-XJKSGUPXSA-N 0 1 271.360 2.796 20 10 CFCDMN Cc1noc(CCC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825253305 623659752 /nfs/dbraw/zinc/65/97/52/623659752.db2.gz GTQYAXQCHQQPDY-UHFFFAOYSA-N 0 1 295.770 2.768 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2cnn(C)c2)cc1Cl ZINC000825304238 623666821 /nfs/dbraw/zinc/66/68/21/623666821.db2.gz SSMIMMJLHKUCQP-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1Cl ZINC000825315800 623669964 /nfs/dbraw/zinc/66/99/64/623669964.db2.gz MSPGRBYUWMHMCF-GHMZBOCLSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]Cc2ccn(C)c2)cc1Cl ZINC000825332017 623674753 /nfs/dbraw/zinc/67/47/53/623674753.db2.gz UVFYBMNVZRRWHA-UHFFFAOYSA-N 0 1 264.756 2.982 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1Cl ZINC000825337618 623675434 /nfs/dbraw/zinc/67/54/34/623675434.db2.gz NEPMROOZBBREID-GFCCVEGCSA-N 0 1 291.782 2.724 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1Cl ZINC000825346314 623678166 /nfs/dbraw/zinc/67/81/66/623678166.db2.gz DCPOLESDWZEDHB-WCQYABFASA-N 0 1 299.798 2.638 20 10 CFCDMN COC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOCC1 ZINC000825371566 623682250 /nfs/dbraw/zinc/68/22/50/623682250.db2.gz YXBRJASTXWPCPM-UHFFFAOYSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCOC2)cc1Cl ZINC000825384510 623684147 /nfs/dbraw/zinc/68/41/47/623684147.db2.gz DHMVBHQZEGQKDH-ZDUSSCGKSA-N 0 1 255.745 2.623 20 10 CFCDMN COC(=O)CC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825428813 623691752 /nfs/dbraw/zinc/69/17/52/623691752.db2.gz CMCHFPAKMPJUQO-UHFFFAOYSA-N 0 1 285.771 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1Cl ZINC000825435761 623693092 /nfs/dbraw/zinc/69/30/92/623693092.db2.gz JCSWLZLCCMPFMT-XTZNXHDOSA-N 0 1 289.828 2.601 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H](C)O)cc1Cl ZINC000825483967 623698800 /nfs/dbraw/zinc/69/88/00/623698800.db2.gz GMEDJTHJWHHJMN-UWVGGRQHSA-N 0 1 257.761 2.603 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccsc1 ZINC000152533597 623729704 /nfs/dbraw/zinc/72/97/04/623729704.db2.gz COCQVJFHILEDLI-ZDUSSCGKSA-N 0 1 283.780 2.930 20 10 CFCDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H]1C ZINC000825658594 623731868 /nfs/dbraw/zinc/73/18/68/623731868.db2.gz RPCKROVBVZCEMI-JQWIXIFHSA-N 0 1 297.782 2.737 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H]1C ZINC000825658594 623731871 /nfs/dbraw/zinc/73/18/71/623731871.db2.gz RPCKROVBVZCEMI-JQWIXIFHSA-N 0 1 297.782 2.737 20 10 CFCDMN COCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOCC1 ZINC000826002984 623780953 /nfs/dbraw/zinc/78/09/53/623780953.db2.gz GVDVXKWLXOKHST-UHFFFAOYSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1Cl ZINC000826017850 623782600 /nfs/dbraw/zinc/78/26/00/623782600.db2.gz WTQQJBZKZHHASJ-ABAIWWIYSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)CCO)cc1Cl ZINC000826143099 623797966 /nfs/dbraw/zinc/79/79/66/623797966.db2.gz SEFXRUVMUDSXOD-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)CCO)cc1Cl ZINC000826143099 623797969 /nfs/dbraw/zinc/79/79/69/623797969.db2.gz SEFXRUVMUDSXOD-SNVBAGLBSA-N 0 1 257.761 2.557 20 10 CFCDMN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282307 623981102 /nfs/dbraw/zinc/98/11/02/623981102.db2.gz LYGFQGJORQIBAU-SMDDNHRTSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282307 623981105 /nfs/dbraw/zinc/98/11/05/623981105.db2.gz LYGFQGJORQIBAU-SMDDNHRTSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282305 623981326 /nfs/dbraw/zinc/98/13/26/623981326.db2.gz LYGFQGJORQIBAU-RISCZKNCSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000827282305 623981328 /nfs/dbraw/zinc/98/13/28/623981328.db2.gz LYGFQGJORQIBAU-RISCZKNCSA-N 0 1 267.756 2.514 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC3(COC3)C2)ccc2ccccc21 ZINC000827645294 624050811 /nfs/dbraw/zinc/05/08/11/624050811.db2.gz UXMDDVQJWAOIPR-UHFFFAOYSA-N 0 1 269.344 2.768 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC3(COC3)C2)ccc2ccccc21 ZINC000827645294 624050815 /nfs/dbraw/zinc/05/08/15/624050815.db2.gz UXMDDVQJWAOIPR-UHFFFAOYSA-N 0 1 269.344 2.768 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CCC2)cc1Cl ZINC000827903976 624125927 /nfs/dbraw/zinc/12/59/27/624125927.db2.gz RSRMNDZILBWBLR-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C2(CO)CCC2)cc1Cl ZINC000827903976 624125929 /nfs/dbraw/zinc/12/59/29/624125929.db2.gz RSRMNDZILBWBLR-UHFFFAOYSA-N 0 1 269.772 2.701 20 10 CFCDMN Cc1cc(CN(C)Cc2nnc[nH]2)ccc1N1CCCCC1 ZINC000828015832 624154714 /nfs/dbraw/zinc/15/47/14/624154714.db2.gz KLENCLSCGDYHGY-UHFFFAOYSA-N 0 1 299.422 2.735 20 10 CFCDMN CC[C@@H](NCc1nn(CC)nc1C)c1ccccc1O ZINC000828687143 624286607 /nfs/dbraw/zinc/28/66/07/624286607.db2.gz FFDILZDAJCSLDY-CYBMUJFWSA-N 0 1 274.368 2.553 20 10 CFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCO1 ZINC000919948666 624643157 /nfs/dbraw/zinc/64/31/57/624643157.db2.gz WYZQBPAPFAZMCW-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCO1 ZINC000919948666 624643162 /nfs/dbraw/zinc/64/31/62/624643162.db2.gz WYZQBPAPFAZMCW-CQSZACIVSA-N 0 1 286.375 2.941 20 10 CFCDMN C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179663409 624972128 /nfs/dbraw/zinc/97/21/28/624972128.db2.gz YIYRPQNAUHVEPS-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000179663409 624972132 /nfs/dbraw/zinc/97/21/32/624972132.db2.gz YIYRPQNAUHVEPS-SECBINFHSA-N 0 1 257.786 2.983 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1cccc(C)c1O ZINC000179754747 624975523 /nfs/dbraw/zinc/97/55/23/624975523.db2.gz SRZJFGPHMPYKBA-UHFFFAOYSA-N 0 1 260.337 2.937 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831527544 625042007 /nfs/dbraw/zinc/04/20/07/625042007.db2.gz GGFWLQYAYGRVQY-MEBBXXQBSA-N 0 1 295.354 2.591 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831527544 625042015 /nfs/dbraw/zinc/04/20/15/625042015.db2.gz GGFWLQYAYGRVQY-MEBBXXQBSA-N 0 1 295.354 2.591 20 10 CFCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000186066832 625831291 /nfs/dbraw/zinc/83/12/91/625831291.db2.gz CAVQLEJVCQPVQL-WLTAIBSBSA-N 0 1 255.745 2.610 20 10 CFCDMN CCc1ncc(CN[C@@H](C)c2cc(F)ccc2O)o1 ZINC000834898233 625914277 /nfs/dbraw/zinc/91/42/77/625914277.db2.gz AMQWEHXLTDWMMX-VIFPVBQESA-N 0 1 264.300 2.933 20 10 CFCDMN C[C@@H](NCc1nc(Br)c[nH]1)c1ccccc1O ZINC000922328694 626270972 /nfs/dbraw/zinc/27/09/72/626270972.db2.gz HCMLIXWKMQURCZ-MRVPVSSYSA-N 0 1 296.168 2.729 20 10 CFCDMN Cn1nc(C2CC2)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000922947928 626430542 /nfs/dbraw/zinc/43/05/42/626430542.db2.gz NGSKCTSZHZHEAN-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)COC ZINC000187087322 626452065 /nfs/dbraw/zinc/45/20/65/626452065.db2.gz KUXPHXVVPFBPIE-ZDUSSCGKSA-N 0 1 251.370 2.887 20 10 CFCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)COC ZINC000187087322 626452066 /nfs/dbraw/zinc/45/20/66/626452066.db2.gz KUXPHXVVPFBPIE-ZDUSSCGKSA-N 0 1 251.370 2.887 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1N(C)C ZINC000923228627 626458215 /nfs/dbraw/zinc/45/82/15/626458215.db2.gz VZJQCAGIAMTUOY-CQSZACIVSA-N 0 1 290.407 2.748 20 10 CFCDMN CN(C)c1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000838894233 626514431 /nfs/dbraw/zinc/51/44/31/626514431.db2.gz DMDXSGIOZAFPES-UHFFFAOYSA-N 0 1 281.403 2.926 20 10 CFCDMN CC(C)(C)OC(=O)C1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000839133660 626528111 /nfs/dbraw/zinc/52/81/11/626528111.db2.gz SSRZLVOARZINSF-UHFFFAOYSA-N 0 1 297.782 2.819 20 10 CFCDMN Oc1cccc(Cl)c1CN1CC2(CC(F)C2)C1 ZINC000839139204 626528299 /nfs/dbraw/zinc/52/82/99/626528299.db2.gz DZTJCFYNVCAFBG-UHFFFAOYSA-N 0 1 255.720 2.980 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139204 626528300 /nfs/dbraw/zinc/52/83/00/626528300.db2.gz DZTJCFYNVCAFBG-UHFFFAOYSA-N 0 1 255.720 2.980 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CC(C(F)F)C1 ZINC000839140603 626528597 /nfs/dbraw/zinc/52/85/97/626528597.db2.gz HOMNUZHKTMXBEZ-UHFFFAOYSA-N 0 1 265.662 2.882 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CC(OC(F)F)C1 ZINC000839143533 626528892 /nfs/dbraw/zinc/52/88/92/626528892.db2.gz HZUOHRLZLBEVFN-UHFFFAOYSA-N 0 1 281.661 2.608 20 10 CFCDMN COc1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1C ZINC000839169203 626529202 /nfs/dbraw/zinc/52/92/02/626529202.db2.gz GZHCJHXPDQSVLW-UHFFFAOYSA-N 0 1 288.395 2.709 20 10 CFCDMN Cc1ncc(CNC/C=C/c2ccc(N(C)C)cc2)o1 ZINC000839170581 626529372 /nfs/dbraw/zinc/52/93/72/626529372.db2.gz ONNDFRWTSMVZHJ-SNAWJCMRSA-N 0 1 271.364 2.852 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839190732 626530533 /nfs/dbraw/zinc/53/05/33/626530533.db2.gz KCUWRAOLXZLEJL-RNCFNFMXSA-N 0 1 285.746 2.796 20 10 CFCDMN C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)c2c1c(F)ccc2[O-] ZINC000757658203 626557446 /nfs/dbraw/zinc/55/74/46/626557446.db2.gz PFLYTJOJVVMNAO-ZYHUDNBSSA-N 0 1 279.355 2.832 20 10 CFCDMN COC(C)(C)C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000758411778 626593115 /nfs/dbraw/zinc/59/31/15/626593115.db2.gz HYGKKXFNQGVAJU-UHFFFAOYSA-N 0 1 274.364 2.797 20 10 CFCDMN COC(C)(C)C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000758411778 626593118 /nfs/dbraw/zinc/59/31/18/626593118.db2.gz HYGKKXFNQGVAJU-UHFFFAOYSA-N 0 1 274.364 2.797 20 10 CFCDMN CCCN(Cc1cc(OC)no1)Cc1ccccc1O ZINC000851791511 634531724 /nfs/dbraw/zinc/53/17/24/634531724.db2.gz CVKADJXWRLUZKB-UHFFFAOYSA-N 0 1 276.336 2.801 20 10 CFCDMN CCC[N@@H+](CCC(=O)C1CC1)Cc1ccccc1O ZINC000767411527 627248751 /nfs/dbraw/zinc/24/87/51/627248751.db2.gz LUXURMKQTLCDHI-UHFFFAOYSA-N 0 1 261.365 2.973 20 10 CFCDMN CCOc1ccc(C[N@@H+](C)C2CCN(CC)CC2)c(O)c1 ZINC000768233683 627327409 /nfs/dbraw/zinc/32/74/09/627327409.db2.gz OAYSZHNSICKAHY-UHFFFAOYSA-N 0 1 292.423 2.707 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCOC1 ZINC000768521254 627347916 /nfs/dbraw/zinc/34/79/16/627347916.db2.gz ONAOIYGSTXULMB-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCOC1 ZINC000768521254 627347919 /nfs/dbraw/zinc/34/79/19/627347919.db2.gz ONAOIYGSTXULMB-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COC[C@H]1CCCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000768542606 627352741 /nfs/dbraw/zinc/35/27/41/627352741.db2.gz XIQYIBAALRPZTQ-ZDUSSCGKSA-N 0 1 279.380 2.649 20 10 CFCDMN COC[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000768542606 627352745 /nfs/dbraw/zinc/35/27/45/627352745.db2.gz XIQYIBAALRPZTQ-ZDUSSCGKSA-N 0 1 279.380 2.649 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H]1CSC ZINC000769513492 627450106 /nfs/dbraw/zinc/45/01/06/627450106.db2.gz AHSKJTTYLRCPHE-LLVKDONJSA-N 0 1 267.394 2.728 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000769936266 627489488 /nfs/dbraw/zinc/48/94/88/627489488.db2.gz VNYDODVGQKMVSJ-LBPRGKRZSA-N 0 1 283.780 2.930 20 10 CFCDMN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000772996419 627766461 /nfs/dbraw/zinc/76/64/61/627766461.db2.gz DTJVDODOZTVTAI-GFCCVEGCSA-N 0 1 286.379 2.584 20 10 CFCDMN CCN(C)c1ccc(CN2CCO[C@H](C(C)C)C2)cc1 ZINC000773831292 627861290 /nfs/dbraw/zinc/86/12/90/627861290.db2.gz ISMAHIOMORSHBR-KRWDZBQOSA-N 0 1 276.424 3.000 20 10 CFCDMN CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775413404 628023444 /nfs/dbraw/zinc/02/34/44/628023444.db2.gz CHTZOUHNNZWVHT-HOCLYGCPSA-N 0 1 284.359 2.660 20 10 CFCDMN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000775508161 628032187 /nfs/dbraw/zinc/03/21/87/628032187.db2.gz AFXXBEUQKCERSO-AAEUAGOBSA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)CO1 ZINC000775653297 628046749 /nfs/dbraw/zinc/04/67/49/628046749.db2.gz CTDFVBZHJTZVER-RKDXNWHRSA-N 0 1 273.735 2.794 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1c1ncon1 ZINC000775669697 628053265 /nfs/dbraw/zinc/05/32/65/628053265.db2.gz DKYSWYCESLNGPS-LLVKDONJSA-N 0 1 297.717 2.905 20 10 CFCDMN C[C@H](NCc1cn2cccnc2n1)c1ccc(N(C)C)cc1 ZINC000775830067 628073136 /nfs/dbraw/zinc/07/31/36/628073136.db2.gz CHGPACBHFBDILD-ZDUSSCGKSA-N 0 1 295.390 2.646 20 10 CFCDMN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1F ZINC000779148295 628355343 /nfs/dbraw/zinc/35/53/43/628355343.db2.gz HQOOPNMCXXJCBF-IUODEOHRSA-N 0 1 250.361 2.933 20 10 CFCDMN COc1ccc(O)c(CN2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000779151313 628355923 /nfs/dbraw/zinc/35/59/23/628355923.db2.gz XBKXFWAHNRFBON-MFKMUULPSA-N 0 1 253.317 2.581 20 10 CFCDMN CCOc1ccc(O)c(CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC000779149793 628356034 /nfs/dbraw/zinc/35/60/34/628356034.db2.gz PFJNUQUTZBIFER-BXUZGUMPSA-N 0 1 267.344 2.971 20 10 CFCDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000779165241 628358024 /nfs/dbraw/zinc/35/80/24/628358024.db2.gz FKXJMJOGVIKYQG-GFCCVEGCSA-N 0 1 287.762 2.920 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779219077 628361153 /nfs/dbraw/zinc/36/11/53/628361153.db2.gz LMJWGNIEXWPMCE-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)c(O)c1O ZINC000781357932 628542769 /nfs/dbraw/zinc/54/27/69/628542769.db2.gz VZAZAKSETJEOLB-UHFFFAOYSA-N 0 1 297.261 2.628 20 10 CFCDMN COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000781526500 628557039 /nfs/dbraw/zinc/55/70/39/628557039.db2.gz GVGOBFJDKGLNEK-CYBMUJFWSA-N 0 1 297.782 2.963 20 10 CFCDMN COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000781526500 628557043 /nfs/dbraw/zinc/55/70/43/628557043.db2.gz GVGOBFJDKGLNEK-CYBMUJFWSA-N 0 1 297.782 2.963 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783541307 628718598 /nfs/dbraw/zinc/71/85/98/628718598.db2.gz GHYVDHQDPSTRRO-YNEHKIRRSA-N 0 1 279.380 2.707 20 10 CFCDMN C[NH+](C)CCc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000783939905 628756391 /nfs/dbraw/zinc/75/63/91/628756391.db2.gz MZUFGBOHAPFVPP-UHFFFAOYSA-N 0 1 290.388 2.810 20 10 CFCDMN c1cc(-c2ccc(CNCc3ccc4c(c3)CCO4)o2)n[nH]1 ZINC000788509485 629076413 /nfs/dbraw/zinc/07/64/13/629076413.db2.gz OZEPDAQDSRYORR-UHFFFAOYSA-N 0 1 295.342 2.894 20 10 CFCDMN COCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789954265 629199910 /nfs/dbraw/zinc/19/99/10/629199910.db2.gz FQQSQROACZMTDQ-UHFFFAOYSA-N 0 1 291.278 2.636 20 10 CFCDMN Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1O ZINC000790070974 629208067 /nfs/dbraw/zinc/20/80/67/629208067.db2.gz NMZWZUOFFLZDOM-UHFFFAOYSA-N 0 1 277.251 2.503 20 10 CFCDMN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000790740420 629259481 /nfs/dbraw/zinc/25/94/81/629259481.db2.gz CFQZCCRMOSIQSR-CABZTGNLSA-N 0 1 284.787 2.563 20 10 CFCDMN CN(C)c1ccc(/C=C/CN2CCc3c[nH]nc3C2)cc1 ZINC000835026043 629324319 /nfs/dbraw/zinc/32/43/19/629324319.db2.gz OLDUNRVYUUVPEA-ONEGZZNKSA-N 0 1 282.391 2.547 20 10 CFCDMN Cc1nnsc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835055947 629358622 /nfs/dbraw/zinc/35/86/22/629358622.db2.gz QHGLWJWVIBLFQO-PLNGDYQASA-N 0 1 288.420 2.716 20 10 CFCDMN Cc1c(CN(C)C/C=C/c2ccc(N(C)C)cc2)cnn1C ZINC000835055213 629359282 /nfs/dbraw/zinc/35/92/82/629359282.db2.gz XCLXHAIUCGJCJX-VOTSOKGWSA-N 0 1 298.434 2.940 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000792167178 629404241 /nfs/dbraw/zinc/40/42/41/629404241.db2.gz DBZXMXYGVZZXDT-LLVKDONJSA-N 0 1 298.789 2.853 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000792168044 629404785 /nfs/dbraw/zinc/40/47/85/629404785.db2.gz ZELJMXNYHPAOLM-SNVBAGLBSA-N 0 1 287.762 2.779 20 10 CFCDMN CCn1ccc(CN(C)Cc2c(O)cccc2OC)c1 ZINC000792183483 629406456 /nfs/dbraw/zinc/40/64/56/629406456.db2.gz OQVAZOOFTCDBCQ-UHFFFAOYSA-N 0 1 274.364 2.854 20 10 CFCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)cc1OC ZINC000794290709 629632010 /nfs/dbraw/zinc/63/20/10/629632010.db2.gz OHLHFQDMHQHGBX-UHFFFAOYSA-N 0 1 290.367 2.582 20 10 CFCDMN CC[C@@H](NCc1ccn(C)n1)c1ccc(C)cc1O ZINC000794816602 629690487 /nfs/dbraw/zinc/69/04/87/629690487.db2.gz NWDWCPRLGFWTQX-CQSZACIVSA-N 0 1 259.353 2.675 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2cnc(Cl)cn2)c1 ZINC000799158031 630281108 /nfs/dbraw/zinc/28/11/08/630281108.db2.gz XYKGQVSTLIJBTR-VIFPVBQESA-N 0 1 293.754 2.695 20 10 CFCDMN CC[C@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1[O-] ZINC000806171686 630779639 /nfs/dbraw/zinc/77/96/39/630779639.db2.gz RSWWLDVUWTWSSF-LBPRGKRZSA-N 0 1 256.777 2.648 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cocn1 ZINC000807836650 630912853 /nfs/dbraw/zinc/91/28/53/630912853.db2.gz IVONPXVOOVYRII-UHFFFAOYSA-N 0 1 287.102 2.617 20 10 CFCDMN Cc1cc(Cl)cc([C@@H](C)NCc2ccn(C)n2)c1O ZINC000808710259 631031771 /nfs/dbraw/zinc/03/17/71/631031771.db2.gz OJBSASYUAJMMPB-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccn(C)n1 ZINC000840816498 631230881 /nfs/dbraw/zinc/23/08/81/631230881.db2.gz OJTANKLGCMQNFC-VHSXEESVSA-N 0 1 263.316 2.677 20 10 CFCDMN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cc(Cl)ccc1[O-] ZINC000840825883 631232351 /nfs/dbraw/zinc/23/23/51/631232351.db2.gz COYSTOWKSJHQFR-BZPMIXESSA-N 0 1 285.771 2.500 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000840874851 631247826 /nfs/dbraw/zinc/24/78/26/631247826.db2.gz ARTNURRBCFNYMI-SNVBAGLBSA-N 0 1 255.745 2.623 20 10 CFCDMN CCOc1ccc(CNc2nccn2C2CC2)c(O)c1 ZINC000840887075 631252028 /nfs/dbraw/zinc/25/20/28/631252028.db2.gz HCXGLLRKFXEFRT-UHFFFAOYSA-N 0 1 273.336 2.934 20 10 CFCDMN c1cn(C2CC2)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000840887682 631252451 /nfs/dbraw/zinc/25/24/51/631252451.db2.gz UCMXVUMCFJJFIU-UHFFFAOYSA-N 0 1 298.390 2.667 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCOC2)c(Cl)c1 ZINC000840895213 631254466 /nfs/dbraw/zinc/25/44/66/631254466.db2.gz YUVMYTKYZZXZDT-SNVBAGLBSA-N 0 1 255.745 2.623 20 10 CFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840891984 631254613 /nfs/dbraw/zinc/25/46/13/631254613.db2.gz WQRDJDXISKQWLZ-ZJUUUORDSA-N 0 1 284.787 2.609 20 10 CFCDMN CSC[C@@H](CCO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900017 631255709 /nfs/dbraw/zinc/25/57/09/631255709.db2.gz PAXWLNVYZCYBJP-SNVBAGLBSA-N 0 1 289.828 2.558 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CC[C@H](C)C2)c(Cl)c1 ZINC000840902879 631256824 /nfs/dbraw/zinc/25/68/24/631256824.db2.gz WLBRPRKPYJGKMR-NSHDSACASA-N 0 1 282.815 2.785 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](C)O)CC2)c(Cl)c1 ZINC000840913875 631262242 /nfs/dbraw/zinc/26/22/42/631262242.db2.gz KIZHOBVHCPYXDS-NSHDSACASA-N 0 1 283.799 2.947 20 10 CFCDMN COCCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840912153 631262391 /nfs/dbraw/zinc/26/23/91/631262391.db2.gz IFRYQYNUISASAL-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN COCCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840912153 631262397 /nfs/dbraw/zinc/26/23/97/631262397.db2.gz IFRYQYNUISASAL-UHFFFAOYSA-N 0 1 257.761 2.822 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840916259 631264601 /nfs/dbraw/zinc/26/46/01/631264601.db2.gz IMNGNQKKRWEMHC-HNNXBMFYSA-N 0 1 297.782 2.739 20 10 CFCDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840916259 631264609 /nfs/dbraw/zinc/26/46/09/631264609.db2.gz IMNGNQKKRWEMHC-HNNXBMFYSA-N 0 1 297.782 2.739 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917144 631264959 /nfs/dbraw/zinc/26/49/59/631264959.db2.gz HHNONLNZBNYRTK-SNVBAGLBSA-N 0 1 255.745 2.575 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840917144 631264963 /nfs/dbraw/zinc/26/49/63/631264963.db2.gz HHNONLNZBNYRTK-SNVBAGLBSA-N 0 1 255.745 2.575 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840936814 631269206 /nfs/dbraw/zinc/26/92/06/631269206.db2.gz MSJXNNOYTDOQKQ-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840936814 631269210 /nfs/dbraw/zinc/26/92/10/631269210.db2.gz MSJXNNOYTDOQKQ-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)c(Cl)c1 ZINC000840948617 631277478 /nfs/dbraw/zinc/27/74/78/631277478.db2.gz VVCVUDFHLJAYQW-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)c(Cl)c1 ZINC000840948617 631277488 /nfs/dbraw/zinc/27/74/88/631277488.db2.gz VVCVUDFHLJAYQW-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc(Cl)cc(CN(C)C[C@@H](O)C(F)(F)F)c1O ZINC000809750961 631279936 /nfs/dbraw/zinc/27/99/36/631279936.db2.gz KNDPCDWXLSVHLZ-SNVBAGLBSA-N 0 1 297.704 2.709 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840954244 631281496 /nfs/dbraw/zinc/28/14/96/631281496.db2.gz IVDABZDDQWEEEG-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN CCOc1ccc(O)c(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000840954244 631281503 /nfs/dbraw/zinc/28/15/03/631281503.db2.gz IVDABZDDQWEEEG-QGZVFWFLSA-N 0 1 291.391 2.792 20 10 CFCDMN CCn1ccc(CNCc2cc(Cl)ccc2O)n1 ZINC000840955968 631282696 /nfs/dbraw/zinc/28/26/96/631282696.db2.gz DQJWXOWZVKKRDI-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN COCC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000840955717 631282963 /nfs/dbraw/zinc/28/29/63/631282963.db2.gz VRJPNJAQJOHBFF-SNVBAGLBSA-N 0 1 257.761 2.808 20 10 CFCDMN CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000840997580 631297587 /nfs/dbraw/zinc/29/75/87/631297587.db2.gz OQLMHPQWXZGVRP-QTLSWZBMSA-N 0 1 288.391 2.562 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1F ZINC000840999519 631299250 /nfs/dbraw/zinc/29/92/50/631299250.db2.gz YHKGSBJHIVGYDF-GFCCVEGCSA-N 0 1 296.386 2.824 20 10 CFCDMN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745610 631463218 /nfs/dbraw/zinc/46/32/18/631463218.db2.gz REHJMVSUTVIBGF-MNOVXSKESA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000841750684 631464452 /nfs/dbraw/zinc/46/44/52/631464452.db2.gz ABZCHGGJRLCYEG-IONNQARKSA-N 0 1 279.714 2.712 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751254 631465652 /nfs/dbraw/zinc/46/56/52/631465652.db2.gz GPSAFNHZJWSEBJ-XDTLVQLUSA-N 0 1 269.772 3.000 20 10 CFCDMN COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752240 631465713 /nfs/dbraw/zinc/46/57/13/631465713.db2.gz RRDKVHQMQKUJRE-WDEREUQCSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841757203 631467658 /nfs/dbraw/zinc/46/76/58/631467658.db2.gz BWBCRJWCFSOGJN-LKFCYVNXSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760561 631468056 /nfs/dbraw/zinc/46/80/56/631468056.db2.gz SNHZRVRKZPITNX-GHMZBOCLSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841763241 631468918 /nfs/dbraw/zinc/46/89/18/631468918.db2.gz LONHYICMZAOAEP-AAEUAGOBSA-N 0 1 299.798 2.892 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CC2)c(Cl)c1 ZINC000841890098 631489111 /nfs/dbraw/zinc/48/91/11/631489111.db2.gz KWGIRWNNZSPOEA-UHFFFAOYSA-N 0 1 268.788 2.538 20 10 CFCDMN Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625957 631683923 /nfs/dbraw/zinc/68/39/23/631683923.db2.gz MMXGDKXDZFIRDA-DYVFJYSZSA-N 0 1 284.359 2.551 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625957 631683925 /nfs/dbraw/zinc/68/39/25/631683925.db2.gz MMXGDKXDZFIRDA-DYVFJYSZSA-N 0 1 284.359 2.551 20 10 CFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625957 631683928 /nfs/dbraw/zinc/68/39/28/631683928.db2.gz MMXGDKXDZFIRDA-DYVFJYSZSA-N 0 1 284.359 2.551 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000812780328 631773311 /nfs/dbraw/zinc/77/33/11/631773311.db2.gz AHTYFHOVFIOTIN-LLVKDONJSA-N 0 1 273.735 2.796 20 10 CFCDMN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1cc(Cl)ccc1[O-] ZINC000842908741 631780878 /nfs/dbraw/zinc/78/08/78/631780878.db2.gz COYSTOWKSJHQFR-OUCADQQQSA-N 0 1 285.771 2.500 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420774 631951254 /nfs/dbraw/zinc/95/12/54/631951254.db2.gz HCOOBWQKHWURPP-OTYXRUKQSA-N 0 1 285.746 2.796 20 10 CFCDMN CCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843422812 631951751 /nfs/dbraw/zinc/95/17/51/631951751.db2.gz SENRWICAZUCJBN-CQSZACIVSA-N 0 1 282.815 2.962 20 10 CFCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843422812 631951759 /nfs/dbraw/zinc/95/17/59/631951759.db2.gz SENRWICAZUCJBN-CQSZACIVSA-N 0 1 282.815 2.962 20 10 CFCDMN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CC=CC1 ZINC000843432366 631957103 /nfs/dbraw/zinc/95/71/03/631957103.db2.gz BNFFRODDKZNMFM-INIZCTEOSA-N 0 1 293.382 2.974 20 10 CFCDMN CCOc1ccc(CNCc2oc(CC)nc2C)c(O)c1 ZINC000813794520 631960208 /nfs/dbraw/zinc/96/02/08/631960208.db2.gz AXBIYUUGYKOVFJ-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000814299837 632050223 /nfs/dbraw/zinc/05/02/23/632050223.db2.gz CJGQDNBPOPPJCV-NSHDSACASA-N 0 1 298.814 2.688 20 10 CFCDMN COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815095244 632200672 /nfs/dbraw/zinc/20/06/72/632200672.db2.gz NOEHLNPHDPMCNF-QGZVFWFLSA-N 0 1 290.407 2.589 20 10 CFCDMN COC(=O)[C@@]1(C)CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815095244 632200675 /nfs/dbraw/zinc/20/06/75/632200675.db2.gz NOEHLNPHDPMCNF-QGZVFWFLSA-N 0 1 290.407 2.589 20 10 CFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844423222 632205415 /nfs/dbraw/zinc/20/54/15/632205415.db2.gz XPJWADKWHIDBRV-CQSZACIVSA-N 0 1 274.408 2.896 20 10 CFCDMN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C(C)C ZINC000844740186 632293842 /nfs/dbraw/zinc/29/38/42/632293842.db2.gz FVJSKSLRIRLCJP-YRVVQQKDSA-N 0 1 293.432 2.529 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOCC12CCC2 ZINC000816513183 632475699 /nfs/dbraw/zinc/47/56/99/632475699.db2.gz JDPGAZZCVHIMPB-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN COC[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816542874 632480335 /nfs/dbraw/zinc/48/03/35/632480335.db2.gz FEAPSNDRVPIISB-GFCCVEGCSA-N 0 1 259.349 2.918 20 10 CFCDMN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552155 632483304 /nfs/dbraw/zinc/48/33/04/632483304.db2.gz CKRDZOCVHYJLAG-ABAIWWIYSA-N 0 1 291.416 2.747 20 10 CFCDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571720 632487627 /nfs/dbraw/zinc/48/76/27/632487627.db2.gz NTKIVWSRVKEYAA-UWVGGRQHSA-N 0 1 286.778 2.709 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc2ccccc21 ZINC000816590203 632490109 /nfs/dbraw/zinc/49/01/09/632490109.db2.gz SZFAWZGEDUXHIL-WFASDCNBSA-N 0 1 271.360 2.796 20 10 CFCDMN C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586999 632490288 /nfs/dbraw/zinc/49/02/88/632490288.db2.gz ZWMFSPUXOPBKMJ-CYBMUJFWSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc2ccccc21 ZINC000816590201 632490703 /nfs/dbraw/zinc/49/07/03/632490703.db2.gz SZFAWZGEDUXHIL-IUODEOHRSA-N 0 1 271.360 2.796 20 10 CFCDMN [O-]c1c(C[NH2+]CC[C@@H](O)C(F)(F)F)ccc2ccccc12 ZINC000816610184 632493653 /nfs/dbraw/zinc/49/36/53/632493653.db2.gz ARJWWIUCRFMIQH-CYBMUJFWSA-N 0 1 299.292 2.948 20 10 CFCDMN C[C@@H]1[C@@H](C)CN1Cc1cc(Br)ccc1O ZINC000816648002 632501377 /nfs/dbraw/zinc/50/13/77/632501377.db2.gz CDWWCYDYYDBYRQ-DTWKUNHWSA-N 0 1 270.170 2.995 20 10 CFCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042979 632622312 /nfs/dbraw/zinc/62/23/12/632622312.db2.gz QKYJPELJMWWKOK-INIZCTEOSA-N 0 1 279.355 2.826 20 10 CFCDMN COc1ccc(N(C)CCN(C)Cc2ccco2)cc1 ZINC000846052091 632624665 /nfs/dbraw/zinc/62/46/65/632624665.db2.gz KFSJGVBRSVSULO-UHFFFAOYSA-N 0 1 274.364 2.856 20 10 CFCDMN Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054731 632625345 /nfs/dbraw/zinc/62/53/45/632625345.db2.gz FEVYMKLOGLULPN-UHFFFAOYSA-N 0 1 291.782 2.946 20 10 CFCDMN CCn1cncc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055128 632625862 /nfs/dbraw/zinc/62/58/62/632625862.db2.gz JCTQEMYPYMETFU-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN COc1cccc([C@H](C)NCc2ncccc2OC)c1O ZINC000846168465 632652360 /nfs/dbraw/zinc/65/23/60/632652360.db2.gz JIMCVQINXVOHBQ-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN CC[C@@H](NCc1nn(CC)nc1C)c1ccc(C)cc1O ZINC000818345336 632833400 /nfs/dbraw/zinc/83/34/00/632833400.db2.gz KYHLWLCUAFSNCL-CQSZACIVSA-N 0 1 288.395 2.861 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000818631458 632884562 /nfs/dbraw/zinc/88/45/62/632884562.db2.gz GBFRZOJDMZMDNM-ZUZCIYMTSA-N 0 1 277.364 2.694 20 10 CFCDMN CCc1cccc(CN2CCC[C@@H]2c2nc(C)no2)c1O ZINC000848910958 633395712 /nfs/dbraw/zinc/39/57/12/633395712.db2.gz PBLHGRVLWIXNBN-CQSZACIVSA-N 0 1 287.363 2.983 20 10 CFCDMN Clc1cnc(SCCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000850000027 633786515 /nfs/dbraw/zinc/78/65/15/633786515.db2.gz HACFRJPADWPBAE-DTORHVGOSA-N 0 1 290.841 2.752 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CC2(F)F)c(Cl)c1 ZINC000850365014 633957550 /nfs/dbraw/zinc/95/75/50/633957550.db2.gz CMXVFDRECJOHJA-LBPRGKRZSA-N 0 1 291.725 2.868 20 10 CFCDMN CON(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000850479545 634011312 /nfs/dbraw/zinc/01/13/12/634011312.db2.gz WWUWEGNXNOHKKU-LBPRGKRZSA-N 0 1 274.364 2.689 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850546871 634047331 /nfs/dbraw/zinc/04/73/31/634047331.db2.gz PNWZTUIPOJGVAK-HERUPUMHSA-N 0 1 281.783 3.000 20 10 CFCDMN COc1cccc([C@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850571775 634056727 /nfs/dbraw/zinc/05/67/27/634056727.db2.gz AGXWIBUGGXLJGH-WDEREUQCSA-N 0 1 275.352 2.546 20 10 CFCDMN C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1nccn1C ZINC000850573097 634057899 /nfs/dbraw/zinc/05/78/99/634057899.db2.gz UOFVGWXWISUUHG-NXEZZACHSA-N 0 1 263.316 2.677 20 10 CFCDMN CCOc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c(O)c1 ZINC000854244033 635270491 /nfs/dbraw/zinc/27/04/91/635270491.db2.gz MOBFDPREELNZEF-UHFFFAOYSA-N 0 1 295.379 2.724 20 10 CFCDMN CCC(CC)[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113341588 635555503 /nfs/dbraw/zinc/55/55/03/635555503.db2.gz MNCVFVYXDZNINN-CQSZACIVSA-N 0 1 271.788 2.932 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858583401 636300513 /nfs/dbraw/zinc/30/05/13/636300513.db2.gz BJEOZVGVHOSRDF-LSJOCFKGSA-N 0 1 255.745 2.874 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@@]3(CCOC3)C2)cc1F ZINC000862249944 637299965 /nfs/dbraw/zinc/29/99/65/637299965.db2.gz ASRQQIQDIVYRAZ-MRXNPFEDSA-N 0 1 296.361 2.643 20 10 CFCDMN CO[C@H]1C[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362995 637335498 /nfs/dbraw/zinc/33/54/98/637335498.db2.gz IHUUTIXMUTZMBP-TXEJJXNPSA-N 0 1 284.350 2.640 20 10 CFCDMN CC[C@@H](C)[N@@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000862387136 637350324 /nfs/dbraw/zinc/35/03/24/637350324.db2.gz HLZNZQBZZHDYPO-SECBINFHSA-N 0 1 275.751 2.778 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862395210 637355019 /nfs/dbraw/zinc/35/50/19/637355019.db2.gz XRZJPEOYKMGUEM-VXGBXAGGSA-N 0 1 298.377 2.624 20 10 CFCDMN C[C@H]1[C@H](CO)CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862395208 637355541 /nfs/dbraw/zinc/35/55/41/637355541.db2.gz XRZJPEOYKMGUEM-RYUDHWBXSA-N 0 1 298.377 2.624 20 10 CFCDMN CN(C)c1cc(F)c(CN2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000862398781 637357937 /nfs/dbraw/zinc/35/79/37/637357937.db2.gz PBYXYXKYHIOGIG-BZNIZROVSA-N 0 1 296.361 2.642 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CC2(C1)CCCO2 ZINC000862484582 637399583 /nfs/dbraw/zinc/39/95/83/637399583.db2.gz VLNOMFAPJWBIQT-UHFFFAOYSA-N 0 1 271.719 2.550 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528645 637407846 /nfs/dbraw/zinc/40/78/46/637407846.db2.gz FLUYMKVFVHSBPO-XHDPSFHLSA-N 0 1 281.783 2.640 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528645 637407850 /nfs/dbraw/zinc/40/78/50/637407850.db2.gz FLUYMKVFVHSBPO-XHDPSFHLSA-N 0 1 281.783 2.640 20 10 CFCDMN Oc1cc2c(cc1CN1CCO[C@H](CCF)C1)CCCC2 ZINC000863318620 637625571 /nfs/dbraw/zinc/62/55/71/637625571.db2.gz ROSWAFOGOWQAHV-MRXNPFEDSA-N 0 1 293.382 2.831 20 10 CFCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CN1 ZINC000863484993 637675386 /nfs/dbraw/zinc/67/53/86/637675386.db2.gz RCZZVQQZYNHMFF-LDYMZIIASA-N 0 1 289.206 2.929 20 10 CFCDMN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000863547292 637693753 /nfs/dbraw/zinc/69/37/53/637693753.db2.gz RVOHBEQUNHFPEN-HOTUBEGUSA-N 0 1 288.313 2.812 20 10 CFCDMN Cc1ccc(C(N)=O)cc1NCc1ccc(F)c(F)c1O ZINC000864026485 637836937 /nfs/dbraw/zinc/83/69/37/637836937.db2.gz LLXPHMWYZINOED-UHFFFAOYSA-N 0 1 292.285 2.690 20 10 CFCDMN CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000864053000 637846302 /nfs/dbraw/zinc/84/63/02/637846302.db2.gz DXWZFHIGTUXMDG-LLVKDONJSA-N 0 1 285.334 2.653 20 10 CFCDMN CN(C)c1cc(F)c(CNCC(C)(C)F)cc1F ZINC000865653760 638489852 /nfs/dbraw/zinc/48/98/52/638489852.db2.gz YIMHQVFTKIYLRY-UHFFFAOYSA-N 0 1 260.303 2.869 20 10 CFCDMN CC[C@H](C[C@@H](C)O)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865873962 638633468 /nfs/dbraw/zinc/63/34/68/638633468.db2.gz NKCWDCBQKXAZCG-GHMZBOCLSA-N 0 1 271.788 2.993 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nccnc2C)c1 ZINC000872133141 641661626 /nfs/dbraw/zinc/66/16/26/641661626.db2.gz KSIULBNTYGZOAN-PWSUYJOCSA-N 0 1 287.363 2.911 20 10 CFCDMN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000872818183 641945625 /nfs/dbraw/zinc/94/56/25/641945625.db2.gz HITIFEGEFROFSP-XHDPSFHLSA-N 0 1 293.407 2.932 20 10 CFCDMN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)(C)C ZINC000872818183 641945629 /nfs/dbraw/zinc/94/56/29/641945629.db2.gz HITIFEGEFROFSP-XHDPSFHLSA-N 0 1 293.407 2.932 20 10 CFCDMN COc1cc(-c2nc3cccc(C)c3[nH]2)cc(O)c1O ZINC000194103947 650716841 /nfs/dbraw/zinc/71/68/41/650716841.db2.gz IIECQCHCRCNXPV-UHFFFAOYSA-N 0 1 270.288 2.958 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000086809201 650797705 /nfs/dbraw/zinc/79/77/05/650797705.db2.gz LEHWXYQYPLQZOQ-AWEZNQCLSA-N 0 1 290.407 2.829 20 10 CFCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000086784688 650797176 /nfs/dbraw/zinc/79/71/76/650797176.db2.gz VYVNIMRPDZKRLD-MRXNPFEDSA-N 0 1 277.364 2.777 20 10 CFCDMN Oc1c(CN2CCOC[C@H]2c2ccco2)ccc(F)c1F ZINC000876731114 642985979 /nfs/dbraw/zinc/98/59/79/642985979.db2.gz ORCLLQXCBARZGQ-LBPRGKRZSA-N 0 1 295.285 2.837 20 10 CFCDMN CCOC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876739691 642987694 /nfs/dbraw/zinc/98/76/94/642987694.db2.gz PQCHNKRQNVRXFV-LLVKDONJSA-N 0 1 285.334 2.919 20 10 CFCDMN COC(=O)C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000876773227 643004427 /nfs/dbraw/zinc/00/44/27/643004427.db2.gz OVCFUJGMDQKIOZ-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000876773227 643004432 /nfs/dbraw/zinc/00/44/32/643004432.db2.gz OVCFUJGMDQKIOZ-UHFFFAOYSA-N 0 1 299.317 2.588 20 10 CFCDMN Cc1cccc(O)c1CN[C@H](C)c1nnc2ccccn21 ZINC000876912213 643062162 /nfs/dbraw/zinc/06/21/62/643062162.db2.gz RIZZCGJKCUCGGL-GFCCVEGCSA-N 0 1 282.347 2.594 20 10 CFCDMN Cc1ccc(CN[C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000877126856 643164697 /nfs/dbraw/zinc/16/46/97/643164697.db2.gz UQBDXELXRKEKRT-LLVKDONJSA-N 0 1 274.368 2.793 20 10 CFCDMN Cc1cccc(O)c1CNCc1nccn1CC(C)C ZINC000877149908 643178417 /nfs/dbraw/zinc/17/84/17/643178417.db2.gz USPNTOQYYMCQBA-UHFFFAOYSA-N 0 1 273.380 2.843 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000877488119 643302867 /nfs/dbraw/zinc/30/28/67/643302867.db2.gz XZNGYZVCQCQLBN-RNCFNFMXSA-N 0 1 283.318 2.670 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000877488119 643302872 /nfs/dbraw/zinc/30/28/72/643302872.db2.gz XZNGYZVCQCQLBN-RNCFNFMXSA-N 0 1 283.318 2.670 20 10 CFCDMN CCOC(=O)c1ccc(CNCc2ccc(C)cc2O)o1 ZINC000877528015 643331176 /nfs/dbraw/zinc/33/11/76/643331176.db2.gz YKPWXFMXZGZFOS-UHFFFAOYSA-N 0 1 289.331 2.760 20 10 CFCDMN CCOC1CC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877530840 643333887 /nfs/dbraw/zinc/33/38/87/643333887.db2.gz ZDNYOIMNXMFPBB-UHFFFAOYSA-N 0 1 271.307 2.670 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877566322 643365363 /nfs/dbraw/zinc/36/53/63/643365363.db2.gz XXGIYBVGWBSXAB-JOYOIKCWSA-N 0 1 271.307 2.527 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000877611996 643398555 /nfs/dbraw/zinc/39/85/55/643398555.db2.gz ABNNKGVYYTWSSB-HNNXBMFYSA-N 0 1 299.798 2.577 20 10 CFCDMN C[N@@H+](CC1=CCSC1)Cc1ccc(F)c(F)c1[O-] ZINC000877641536 643425248 /nfs/dbraw/zinc/42/52/48/643425248.db2.gz XMPNZAYXWWHHGB-UHFFFAOYSA-N 0 1 271.332 2.775 20 10 CFCDMN Cc1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000877643508 643428656 /nfs/dbraw/zinc/42/86/56/643428656.db2.gz JNXVHPJTFQWVFT-IAQYHMDHSA-N 0 1 285.334 2.945 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCc3c(O)cccc3C2)ccc(F)c1F ZINC000877658833 643438533 /nfs/dbraw/zinc/43/85/33/643438533.db2.gz YJTCMSYGJWTGFJ-UHFFFAOYSA-N 0 1 291.297 2.934 20 10 CFCDMN CC(C)(F)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000877663136 643440188 /nfs/dbraw/zinc/44/01/88/643440188.db2.gz HTGSMFQULUZCKC-UHFFFAOYSA-N 0 1 276.149 2.992 20 10 CFCDMN CCC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000877667056 643442976 /nfs/dbraw/zinc/44/29/76/643442976.db2.gz KYMJESLEQZAAEN-LBPRGKRZSA-N 0 1 271.788 2.995 20 10 CFCDMN CC[C@@]1(O)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877690902 643457071 /nfs/dbraw/zinc/45/70/71/643457071.db2.gz GCXFQJUASDJFNI-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN CC[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877690902 643457074 /nfs/dbraw/zinc/45/70/74/643457074.db2.gz GCXFQJUASDJFNI-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN CC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877691724 643457929 /nfs/dbraw/zinc/45/79/29/643457929.db2.gz UNGFTVATXVHKEM-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN CC(C)(C)OC(=O)NCCCN1Cc2cccc(O)c2C1 ZINC000877702916 643467434 /nfs/dbraw/zinc/46/74/34/643467434.db2.gz JXCGINBEEGHABN-UHFFFAOYSA-N 0 1 292.379 2.623 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc(F)c1F ZINC000877737989 643501665 /nfs/dbraw/zinc/50/16/65/643501665.db2.gz MBDVXNRIKJFOIN-GHMZBOCLSA-N 0 1 285.359 2.855 20 10 CFCDMN C[C@@H](NCc1c(Cl)cnn1C)c1ccccc1O ZINC000877755651 643535683 /nfs/dbraw/zinc/53/56/83/643535683.db2.gz JUMIUCXPDBBANF-SECBINFHSA-N 0 1 265.744 2.630 20 10 CFCDMN O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877805393 643566761 /nfs/dbraw/zinc/56/67/61/643566761.db2.gz CRUITGADVHBRFY-AWEZNQCLSA-N 0 1 299.370 2.978 20 10 CFCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877835925 643602327 /nfs/dbraw/zinc/60/23/27/643602327.db2.gz JQFKAMCNCKQIQT-SECBINFHSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1Cl ZINC000877836956 643605566 /nfs/dbraw/zinc/60/55/66/643605566.db2.gz RLNPZWQLCADKLR-GFCCVEGCSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1Cl ZINC000877836956 643605570 /nfs/dbraw/zinc/60/55/70/643605570.db2.gz RLNPZWQLCADKLR-GFCCVEGCSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1noc(C)c1CN(C)Cc1cc(C)ccc1O ZINC000091812820 650909189 /nfs/dbraw/zinc/90/91/89/650909189.db2.gz UGTOAADLFZCTSM-UHFFFAOYSA-N 0 1 260.337 2.937 20 10 CFCDMN 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C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447306 777221169 /nfs/dbraw/zinc/22/11/69/777221169.db2.gz RNUUSXNFDFNDQM-SECBINFHSA-N 0 1 285.290 2.568 20 10 CFCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001231448771 777222188 /nfs/dbraw/zinc/22/21/88/777222188.db2.gz BBQGDYHHYJMATP-DGCLKSJQSA-N 0 1 275.348 2.712 20 10 CFCDMN COc1ccc2c(c1)C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231452166 777222887 /nfs/dbraw/zinc/22/28/87/777222887.db2.gz FTAHOEPCKJKCLL-UHFFFAOYSA-N 0 1 299.326 2.615 20 10 CFCDMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454561 777223082 /nfs/dbraw/zinc/22/30/82/777223082.db2.gz GXGJYPXYOGPTLM-LLVKDONJSA-N 0 1 263.337 2.712 20 10 CFCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231453945 777223225 /nfs/dbraw/zinc/22/32/25/777223225.db2.gz MGNXMKQALDLKLQ-PHIMTYICSA-N 0 1 263.337 2.568 20 10 CFCDMN COc1ccc(Br)c(CN2CC[C@@H]2C)c1O ZINC001231548730 777259024 /nfs/dbraw/zinc/25/90/24/777259024.db2.gz 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[O-]c1c(C[N@@H+]2CCCC[C@H](O)C2)ccc2ccccc21 ZINC001231879750 777363681 /nfs/dbraw/zinc/36/36/81/777363681.db2.gz QNGQZXLFEZMNFN-HNNXBMFYSA-N 0 1 271.360 2.892 20 10 CFCDMN CCOC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231881607 777365029 /nfs/dbraw/zinc/36/50/29/777365029.db2.gz YDBKFWARNYTHLZ-UHFFFAOYSA-N 0 1 287.359 2.930 20 10 CFCDMN CCOC(=O)CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231881607 777365038 /nfs/dbraw/zinc/36/50/38/777365038.db2.gz YDBKFWARNYTHLZ-UHFFFAOYSA-N 0 1 287.359 2.930 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2cccnc2C1 ZINC001231912832 777379725 /nfs/dbraw/zinc/37/97/25/777379725.db2.gz AFNOJENBNXSQKQ-UHFFFAOYSA-N 0 1 274.751 2.999 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001231910774 777380217 /nfs/dbraw/zinc/38/02/17/777380217.db2.gz SQBLYBKPPVAARQ-AWEZNQCLSA-N 0 1 267.756 2.801 20 10 CFCDMN CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912709 777380963 /nfs/dbraw/zinc/38/09/63/777380963.db2.gz TUHIDGOATYGJRB-ZDUSSCGKSA-N 0 1 267.756 2.989 20 10 CFCDMN CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912709 777380967 /nfs/dbraw/zinc/38/09/67/777380967.db2.gz TUHIDGOATYGJRB-ZDUSSCGKSA-N 0 1 267.756 2.989 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001231914399 777382175 /nfs/dbraw/zinc/38/21/75/777382175.db2.gz LARKMZCWWJHRPK-GFCCVEGCSA-N 0 1 297.782 2.773 20 10 CFCDMN Cc1ncc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC001231914881 777383767 /nfs/dbraw/zinc/38/37/67/777383767.db2.gz UICKYLBBBUGRQG-UHFFFAOYSA-N 0 1 277.755 2.776 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@]1(C)O ZINC001232258581 777496495 /nfs/dbraw/zinc/49/64/95/777496495.db2.gz AUHRROFPCGAYCI-BMIGLBTASA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@]1(C)O ZINC001232258581 777496498 /nfs/dbraw/zinc/49/64/98/777496498.db2.gz AUHRROFPCGAYCI-BMIGLBTASA-N 0 1 299.798 2.734 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c([O-])cc2O)CCC[C@]1(C)O ZINC001232258581 777496500 /nfs/dbraw/zinc/49/65/00/777496500.db2.gz 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CC(=O)N1CCN(Cc2ccc(C(C)C)cc2O)C[C@H]1C ZINC001237055002 779001390 /nfs/dbraw/zinc/00/13/90/779001390.db2.gz LSTGVWXUCXOFSO-CYBMUJFWSA-N 0 1 290.407 2.568 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001237077231 779006818 /nfs/dbraw/zinc/00/68/18/779006818.db2.gz DIRKIKPYMMGBLO-QMMMGPOBSA-N 0 1 276.163 2.656 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C[C@]1(C)O ZINC001237121426 779017018 /nfs/dbraw/zinc/01/70/18/779017018.db2.gz MXBZINVNCGIOSM-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C[C@]1(C)O ZINC001237121426 779017025 /nfs/dbraw/zinc/01/70/25/779017025.db2.gz MXBZINVNCGIOSM-OTYXRUKQSA-N 0 1 287.762 2.778 20 10 CFCDMN Cc1nc(CC[N@H+](C)Cc2c(O)ccc(F)c2Cl)no1 ZINC001237121263 779017620 /nfs/dbraw/zinc/01/76/20/779017620.db2.gz AJUWEMMOWFAELN-UHFFFAOYSA-N 0 1 299.733 2.551 20 10 CFCDMN Cc1nc(CC[N@H+](C)Cc2c([O-])ccc(F)c2Cl)no1 ZINC001237121263 779017635 /nfs/dbraw/zinc/01/76/35/779017635.db2.gz AJUWEMMOWFAELN-UHFFFAOYSA-N 0 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ZINC001237801330 779181232 /nfs/dbraw/zinc/18/12/32/779181232.db2.gz QXTVGNVAPARCJA-VXGBXAGGSA-N 0 1 271.719 2.548 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237802668 779181429 /nfs/dbraw/zinc/18/14/29/779181429.db2.gz NUBGSJYVWSLSRQ-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237802668 779181430 /nfs/dbraw/zinc/18/14/30/779181430.db2.gz NUBGSJYVWSLSRQ-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CN1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237802668 779181432 /nfs/dbraw/zinc/18/14/32/779181432.db2.gz NUBGSJYVWSLSRQ-QMTHXVAHSA-N 0 1 298.789 2.711 20 10 CFCDMN CCOC(=O)CC[N@@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800116 779181665 /nfs/dbraw/zinc/18/16/65/779181665.db2.gz XHLXHCSWOSMWFY-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@H]1CO ZINC001237808967 779184486 /nfs/dbraw/zinc/18/44/86/779184486.db2.gz XGJKGBCCBFSBQI-TVQRCGJNSA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939782 779210701 /nfs/dbraw/zinc/21/07/01/779210701.db2.gz FXBFODCIDKCPJD-GFCCVEGCSA-N 0 1 298.789 2.853 20 10 CFCDMN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939782 779210705 /nfs/dbraw/zinc/21/07/05/779210705.db2.gz FXBFODCIDKCPJD-GFCCVEGCSA-N 0 1 298.789 2.853 20 10 CFCDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237939782 779210708 /nfs/dbraw/zinc/21/07/08/779210708.db2.gz FXBFODCIDKCPJD-GFCCVEGCSA-N 0 1 298.789 2.853 20 10 CFCDMN CC[NH+]1C[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]2C1 ZINC001237940979 779211379 /nfs/dbraw/zinc/21/13/79/779211379.db2.gz FIDUKJIMSIPWGL-VXGBXAGGSA-N 0 1 298.789 2.568 20 10 CFCDMN Cc1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001238060858 779242737 /nfs/dbraw/zinc/24/27/37/779242737.db2.gz JFCWMDUXOLPOLI-XDTLVQLUSA-N 0 1 253.292 2.630 20 10 CFCDMN Cc1cc(F)cc(CN2CCOC[C@H]2C(C)C)c1O ZINC001238069609 779245884 /nfs/dbraw/zinc/24/58/84/779245884.db2.gz JKFXYLCAOFWYIC-AWEZNQCLSA-N 0 1 267.344 2.697 20 10 CFCDMN C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccc(C(F)(F)F)c1[O-] ZINC001236102085 779468857 /nfs/dbraw/zinc/46/88/57/779468857.db2.gz GTYQGWQJTWRSGM-NXEZZACHSA-N 0 1 288.313 2.593 20 10 CFCDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794508 779639361 /nfs/dbraw/zinc/63/93/61/779639361.db2.gz SGSSJQDGUKILHM-WPRPVWTQSA-N 0 1 290.190 2.902 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC001236804806 779641647 /nfs/dbraw/zinc/64/16/47/779641647.db2.gz ZXVHUWSPIQQEER-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)C2)c(Cl)c1 ZINC001236804806 779641653 /nfs/dbraw/zinc/64/16/53/779641653.db2.gz ZXVHUWSPIQQEER-NSHDSACASA-N 0 1 299.798 2.649 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)O ZINC001237617161 779700681 /nfs/dbraw/zinc/70/06/81/779700681.db2.gz LXQJBKCWEPLFSS-YMTOWFKASA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCCC2(F)F)ccc(F)c1F ZINC000703379511 781011420 /nfs/dbraw/zinc/01/14/20/781011420.db2.gz LLGUVSMKMMNDQA-VIFPVBQESA-N 0 1 263.234 2.948 20 10 CFCDMN CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000703504440 781017112 /nfs/dbraw/zinc/01/71/12/781017112.db2.gz YPDANGBEGWSLCB-LBPRGKRZSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN1CCC[C@H]1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504440 781017123 /nfs/dbraw/zinc/01/71/23/781017123.db2.gz YPDANGBEGWSLCB-LBPRGKRZSA-N 0 1 284.350 2.587 20 10 CFCDMN CCN1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703504440 781017132 /nfs/dbraw/zinc/01/71/32/781017132.db2.gz YPDANGBEGWSLCB-LBPRGKRZSA-N 0 1 284.350 2.587 20 10 CFCDMN CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703539394 781026327 /nfs/dbraw/zinc/02/63/27/781026327.db2.gz AWUFEOMNRIQLHK-LLVKDONJSA-N 0 1 271.307 2.671 20 10 CFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCOC1 ZINC000703532155 781026582 /nfs/dbraw/zinc/02/65/82/781026582.db2.gz SVWNFEWFZLLYOC-SNVBAGLBSA-N 0 1 271.307 2.529 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC001137837501 781139777 /nfs/dbraw/zinc/13/97/77/781139777.db2.gz JJQHELWLGIARPL-UHFFFAOYSA-N 0 1 265.328 2.534 20 10 CFCDMN COCC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837915 781141687 /nfs/dbraw/zinc/14/16/87/781141687.db2.gz YXNYWIGYRFUGGZ-LBPRGKRZSA-N 0 1 267.344 2.922 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001137838647 781161860 /nfs/dbraw/zinc/16/18/60/781161860.db2.gz FSJNUSHTVOAEEW-ZDUSSCGKSA-N 0 1 287.281 2.531 20 10 CFCDMN Nc1ccc(CNc2cc(Cl)nc3[nH]cnc32)cc1 ZINC001162785355 781190245 /nfs/dbraw/zinc/19/02/45/781190245.db2.gz AUYOFFNKWXOQKO-UHFFFAOYSA-N 0 1 273.727 2.806 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCSC1 ZINC000706834272 781204796 /nfs/dbraw/zinc/20/47/96/781204796.db2.gz RAZFUXRODHOHSW-QMMMGPOBSA-N 0 1 288.210 2.750 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)F)C2)c1O ZINC000707174486 781230121 /nfs/dbraw/zinc/23/01/21/781230121.db2.gz ZMWHNCPDCJKWAX-SECBINFHSA-N 0 1 287.281 2.821 20 10 CFCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708399230 781273909 /nfs/dbraw/zinc/27/39/09/781273909.db2.gz KCLVCCYEIRQYRM-AWEZNQCLSA-N 0 1 271.307 2.529 20 10 CFCDMN CCC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708433195 781275190 /nfs/dbraw/zinc/27/51/90/781275190.db2.gz JDDLTQJIXWQMCL-GFCCVEGCSA-N 0 1 271.307 2.671 20 10 CFCDMN Oc1c(F)cc(F)cc1CN[C@@H]1CCCC1(F)F ZINC000708485874 781291471 /nfs/dbraw/zinc/29/14/71/781291471.db2.gz OWRJDACJWMCOSX-SNVBAGLBSA-N 0 1 263.234 2.948 20 10 CFCDMN C[C@H]1CSCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180246628 300388988 /nfs/dbraw/zinc/38/89/88/300388988.db2.gz HXAXGXVVXTZPEK-VIFPVBQESA-N 0 1 257.786 2.983 20 10 CFCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000187896965 282221254 /nfs/dbraw/zinc/22/12/54/282221254.db2.gz BFFYOEMASIXIMZ-GFCCVEGCSA-N 0 1 288.370 2.841 20 10 CFCDMN CCOc1ccc(O)c(CN2CCOCC23CCCC3)c1 ZINC000093840730 347686599 /nfs/dbraw/zinc/68/65/99/347686599.db2.gz OBHXSZXYBAGYCT-UHFFFAOYSA-N 0 1 291.391 2.936 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCC[C@H]1O ZINC000294846775 199210540 /nfs/dbraw/zinc/21/05/40/199210540.db2.gz ZNHIKPOFAVDZGM-VXGBXAGGSA-N 0 1 273.735 2.530 20 10 CFCDMN C[C@H](NCc1nncn1C)c1ccc2ccccc2c1O ZINC000038007515 372761385 /nfs/dbraw/zinc/76/13/85/372761385.db2.gz FGKYZFGSPLWYRP-NSHDSACASA-N 0 1 282.347 2.525 20 10 CFCDMN CN(Cc1cnn(C(C)(C)C)c1)Cc1ccccc1O ZINC000091974711 375072804 /nfs/dbraw/zinc/07/28/04/375072804.db2.gz ASXJYTQHQGTOPA-UHFFFAOYSA-N 0 1 273.380 2.976 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017195 375877726 /nfs/dbraw/zinc/87/77/26/375877726.db2.gz FUTNSQFPRSRGDW-UONOGXRCSA-N 0 1 280.799 2.762 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017195 375877733 /nfs/dbraw/zinc/87/77/33/375877733.db2.gz FUTNSQFPRSRGDW-UONOGXRCSA-N 0 1 280.799 2.762 20 10 CFCDMN Oc1cccc(Cl)c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000130168244 377519488 /nfs/dbraw/zinc/51/94/88/377519488.db2.gz MHKQDQSWEMKJTM-LLVKDONJSA-N 0 1 295.688 2.545 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@H]1CCSC1 ZINC000130577237 377580084 /nfs/dbraw/zinc/58/00/84/377580084.db2.gz CHONQDAQDXGTLJ-VIFPVBQESA-N 0 1 257.786 2.983 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@H]1CCSC1 ZINC000130577237 377580088 /nfs/dbraw/zinc/58/00/88/377580088.db2.gz CHONQDAQDXGTLJ-VIFPVBQESA-N 0 1 257.786 2.983 20 10 CFCDMN Oc1cc2c(cc1CN1CCc3ccsc3C1)OCO2 ZINC000132560994 377852990 /nfs/dbraw/zinc/85/29/90/377852990.db2.gz UPGRKYDLYWWTRB-UHFFFAOYSA-N 0 1 289.356 2.741 20 10 CFCDMN C[C@@H]([NH2+]C1CC1)c1ccc(Br)cc1[O-] ZINC000134901605 378060503 /nfs/dbraw/zinc/06/05/03/378060503.db2.gz WZGJARIDOXZFIT-SSDOTTSWSA-N 0 1 256.143 2.968 20 10 CFCDMN CCOc1cccc(CN[C@H](COC)c2ccco2)c1O ZINC000177576871 380357369 /nfs/dbraw/zinc/35/73/69/380357369.db2.gz PQHJWYWZSPKIKN-CYBMUJFWSA-N 0 1 291.347 2.861 20 10 CFCDMN Cc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000179779990 380580579 /nfs/dbraw/zinc/58/05/79/380580579.db2.gz ZSOYFRCODAUJGV-ZDUSSCGKSA-N 0 1 271.364 2.803 20 10 CFCDMN CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180550610 380676844 /nfs/dbraw/zinc/67/68/44/380676844.db2.gz YZYGRXXXWQWFJF-LBPRGKRZSA-N 0 1 282.815 2.819 20 10 CFCDMN CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180550610 380676847 /nfs/dbraw/zinc/67/68/47/380676847.db2.gz YZYGRXXXWQWFJF-LBPRGKRZSA-N 0 1 282.815 2.819 20 10 CFCDMN C[C@H]1OCCN(Cc2cc(Cl)c(F)cc2O)[C@H]1C ZINC000295370588 380814415 /nfs/dbraw/zinc/81/44/15/380814415.db2.gz OJRRBMTXKSZBBC-DTWKUNHWSA-N 0 1 273.735 2.794 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CCC[C@@](C)(F)C2)cc1OC ZINC000296091271 381250282 /nfs/dbraw/zinc/25/02/82/381250282.db2.gz REEDAGOJYXAMEZ-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN COc1cc(O)c(CN2CCC[C@@](C)(F)C2)cc1OC ZINC000296091271 381250285 /nfs/dbraw/zinc/25/02/85/381250285.db2.gz REEDAGOJYXAMEZ-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN CCOC(=O)[C@H]1CCCCCN1Cc1ccccc1O ZINC000371465880 381633856 /nfs/dbraw/zinc/63/38/56/381633856.db2.gz IWTMRIKMGQOBCR-CQSZACIVSA-N 0 1 277.364 2.700 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)CCO)c1cc(F)ccc1[O-] ZINC000185609369 381681106 /nfs/dbraw/zinc/68/11/06/381681106.db2.gz LOOCCHAKUGUTTB-JTQLQIEISA-N 0 1 255.333 2.591 20 10 CFCDMN CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1=O ZINC000186047730 381811302 /nfs/dbraw/zinc/81/13/02/381811302.db2.gz WGNCAGWTGPKXHG-MFKMUULPSA-N 0 1 296.798 2.706 20 10 CFCDMN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCO[C@H]1C1CC1 ZINC000373371657 381988382 /nfs/dbraw/zinc/98/83/82/381988382.db2.gz XIBIGKXCFMYJDH-HOTGVXAUSA-N 0 1 279.355 2.826 20 10 CFCDMN [O-]c1ccccc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000375007958 382063223 /nfs/dbraw/zinc/06/32/23/382063223.db2.gz IGIJATYYKOGNKP-IBGZPJMESA-N 0 1 297.398 2.918 20 10 CFCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000375007958 382063224 /nfs/dbraw/zinc/06/32/24/382063224.db2.gz IGIJATYYKOGNKP-IBGZPJMESA-N 0 1 297.398 2.918 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000375703538 382098512 /nfs/dbraw/zinc/09/85/12/382098512.db2.gz HRKJTGYZAPGZMM-WCQYABFASA-N 0 1 267.756 2.656 20 10 CFCDMN CCC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000293785943 382279098 /nfs/dbraw/zinc/27/90/98/382279098.db2.gz WZWRTDYDOMIYOW-JTQLQIEISA-N 0 1 257.761 2.950 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1C ZINC000293796874 382283616 /nfs/dbraw/zinc/28/36/16/382283616.db2.gz CYJVYTVTQDBWTQ-INIZCTEOSA-N 0 1 275.392 2.888 20 10 CFCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377237574 382238943 /nfs/dbraw/zinc/23/89/43/382238943.db2.gz IPKVLWITJBEQRC-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377237574 382238949 /nfs/dbraw/zinc/23/89/49/382238949.db2.gz IPKVLWITJBEQRC-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377237574 382238957 /nfs/dbraw/zinc/23/89/57/382238957.db2.gz IPKVLWITJBEQRC-VXGBXAGGSA-N 0 1 281.783 2.904 20 10 CFCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000187705625 382251335 /nfs/dbraw/zinc/25/13/35/382251335.db2.gz GOHUQRFAACWSTN-CYBMUJFWSA-N 0 1 270.380 2.702 20 10 CFCDMN Cc1nnsc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000293767827 382270586 /nfs/dbraw/zinc/27/05/86/382270586.db2.gz SMIZOMZBPHNUOP-SNVBAGLBSA-N 0 1 276.409 2.763 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N2CCOC[C@H]2C2CC2)c1 ZINC000377621778 382303466 /nfs/dbraw/zinc/30/34/66/382303466.db2.gz XUEPKAQMFOWELH-ABAIWWIYSA-N 0 1 277.364 2.573 20 10 CFCDMN Cc1cccc(CN2CCOc3cc(O)ccc3C2)c1O ZINC000377627401 382306786 /nfs/dbraw/zinc/30/67/86/382306786.db2.gz NLBVLOYMOVYAAE-UHFFFAOYSA-N 0 1 285.343 2.801 20 10 CFCDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000188106589 382344406 /nfs/dbraw/zinc/34/44/06/382344406.db2.gz SGBFYBMRGIWSQD-HIFRSBDPSA-N 0 1 291.391 2.640 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365799848 382446474 /nfs/dbraw/zinc/44/64/74/382446474.db2.gz XWKISUDICJWYGR-LLVKDONJSA-N 0 1 292.335 2.541 20 10 CFCDMN C[C@@H]1CCC[N@@H+]1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000378493348 382472905 /nfs/dbraw/zinc/47/29/05/382472905.db2.gz IOUXPQAOZSAOCW-CYBMUJFWSA-N 0 1 292.398 2.980 20 10 CFCDMN C[C@@H]1CCC[N@H+]1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000378493348 382472913 /nfs/dbraw/zinc/47/29/13/382472913.db2.gz IOUXPQAOZSAOCW-CYBMUJFWSA-N 0 1 292.398 2.980 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378499549 382474386 /nfs/dbraw/zinc/47/43/86/382474386.db2.gz UIRRXSDFLAKPSO-KCPJHIHWSA-N 0 1 279.355 2.777 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1C ZINC000366814182 382550898 /nfs/dbraw/zinc/55/08/98/382550898.db2.gz KNDWESMHQULQGT-AWEZNQCLSA-N 0 1 285.391 2.732 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000189299824 382585590 /nfs/dbraw/zinc/58/55/90/382585590.db2.gz GOMYUEHOUNGZKE-UMNHJUIQSA-N 0 1 269.772 2.857 20 10 CFCDMN COC[C@H](C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295316874 382615892 /nfs/dbraw/zinc/61/58/92/382615892.db2.gz LAJQOPPPXGOLTQ-QMMMGPOBSA-N 0 1 261.724 2.651 20 10 CFCDMN CCn1cc([C@H](C)NCc2ccc3c(c2)CCO3)cn1 ZINC000268800748 384664051 /nfs/dbraw/zinc/66/40/51/384664051.db2.gz DETVVOVJGBQONA-LBPRGKRZSA-N 0 1 271.364 2.689 20 10 CFCDMN Cc1c(CN(Cc2ccc(N(C)C)cc2)C2CC2)cnn1C ZINC000268904734 384688383 /nfs/dbraw/zinc/68/83/83/384688383.db2.gz LWWIFGRYNKFNLL-UHFFFAOYSA-N 0 1 298.434 2.959 20 10 CFCDMN CCCC[N@@H+](Cc1cncn1C)Cc1ccccc1O ZINC000282440027 385311370 /nfs/dbraw/zinc/31/13/70/385311370.db2.gz KXVJPYJDCPUHHP-UHFFFAOYSA-N 0 1 273.380 2.928 20 10 CFCDMN CCN(CC)c1ccc(CN2CCC(O)CC2)cc1F ZINC000271048256 385319406 /nfs/dbraw/zinc/31/94/06/385319406.db2.gz SYMYOFPNCPAIJB-UHFFFAOYSA-N 0 1 280.387 2.629 20 10 CFCDMN COc1cc(O)c(C[N@@H+](C)CCCOC(C)C)cc1OC ZINC000271058809 385323207 /nfs/dbraw/zinc/32/32/07/385323207.db2.gz BJRKBZWJFDLWDM-UHFFFAOYSA-N 0 1 297.395 2.656 20 10 CFCDMN CC[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271205290 385376364 /nfs/dbraw/zinc/37/63/64/385376364.db2.gz RLONLWVQAROLRE-UHFFFAOYSA-N 0 1 278.179 2.903 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000271248850 385377406 /nfs/dbraw/zinc/37/74/06/385377406.db2.gz HTBULHXDZUBRFJ-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000271248850 385377410 /nfs/dbraw/zinc/37/74/10/385377410.db2.gz HTBULHXDZUBRFJ-MFKMUULPSA-N 0 1 269.772 2.638 20 10 CFCDMN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000271781972 385392525 /nfs/dbraw/zinc/39/25/25/385392525.db2.gz DWYWGVGRDCBPAU-LBPRGKRZSA-N 0 1 277.755 2.936 20 10 CFCDMN CCOc1cccc(CN(C)Cc2ccccn2)c1O ZINC000273353665 385679166 /nfs/dbraw/zinc/67/91/66/385679166.db2.gz BPTDNPUHEATYFS-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN CC(=O)NC1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273365535 385679485 /nfs/dbraw/zinc/67/94/85/385679485.db2.gz BILOEMDJUQVQLU-FNBIGBAISA-N 0 1 294.370 2.629 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000273497020 385686530 /nfs/dbraw/zinc/68/65/30/385686530.db2.gz PHTHMKVFIPCXBL-WDEREUQCSA-N 0 1 279.771 2.981 20 10 CFCDMN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccccc1O ZINC000109770304 393879798 /nfs/dbraw/zinc/87/97/98/393879798.db2.gz JWVNDAHBBGERQC-HIFRSBDPSA-N 0 1 290.407 2.519 20 10 CFCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000122879844 393973456 /nfs/dbraw/zinc/97/34/56/393973456.db2.gz XTMLOGGHITVXTA-UHFFFAOYSA-N 0 1 270.170 2.997 20 10 CFCDMN C[N@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000122879844 393973459 /nfs/dbraw/zinc/97/34/59/393973459.db2.gz XTMLOGGHITVXTA-UHFFFAOYSA-N 0 1 270.170 2.997 20 10 CFCDMN C[C@H]1COCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365233384 394229968 /nfs/dbraw/zinc/22/99/68/394229968.db2.gz IGUSLOXYFJZYMQ-SECBINFHSA-N 0 1 273.735 2.653 20 10 CFCDMN COc1cc(Cl)cc(CN2CCC[C@H]3COC[C@H]32)c1O ZINC000367072088 394251541 /nfs/dbraw/zinc/25/15/41/394251541.db2.gz MNTSDOPHTNGQAD-GXFFZTMASA-N 0 1 297.782 2.665 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1[O-] ZINC000368098929 394267980 /nfs/dbraw/zinc/26/79/80/394267980.db2.gz DAWCDNUWLARPFE-WCQYABFASA-N 0 1 289.354 2.853 20 10 CFCDMN CC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000020194931 171060462 /nfs/dbraw/zinc/06/04/62/171060462.db2.gz YFFASIRIZNFNFD-YPMHNXCESA-N 0 1 259.349 2.967 20 10 CFCDMN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368131699 267146307 /nfs/dbraw/zinc/14/63/07/267146307.db2.gz BNYVYHSBBVDGPA-NSHDSACASA-N 0 1 291.782 2.769 20 10 CFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368131699 267146309 /nfs/dbraw/zinc/14/63/09/267146309.db2.gz BNYVYHSBBVDGPA-NSHDSACASA-N 0 1 291.782 2.769 20 10 CFCDMN CCCOc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c(O)c1 ZINC000369677896 267259551 /nfs/dbraw/zinc/25/95/51/267259551.db2.gz ZPZZBTPTKCMEPI-QGZVFWFLSA-N 0 1 291.391 2.528 20 10 CFCDMN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273497014 278222052 /nfs/dbraw/zinc/22/20/52/278222052.db2.gz PHTHMKVFIPCXBL-MNOVXSKESA-N 0 1 279.771 2.981 20 10 CFCDMN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000264713859 293158517 /nfs/dbraw/zinc/15/85/17/293158517.db2.gz DVWSBZFHHVJRFE-UHFFFAOYSA-N 0 1 298.390 2.589 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527740699 330282728 /nfs/dbraw/zinc/28/27/28/330282728.db2.gz UAHQBDWUIKMCCF-NSHDSACASA-N 0 1 269.772 2.952 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000528757182 333455681 /nfs/dbraw/zinc/45/56/81/333455681.db2.gz MFQKLZIWMKCHOJ-IGRCHAIXSA-N 0 1 295.354 2.635 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000528757183 333455798 /nfs/dbraw/zinc/45/57/98/333455798.db2.gz MFQKLZIWMKCHOJ-KNSQEALPSA-N 0 1 295.354 2.635 20 10 CFCDMN CCCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000036780935 519880312 /nfs/dbraw/zinc/88/03/12/519880312.db2.gz LQPXWKOWBMTDIH-LBPRGKRZSA-N 0 1 286.375 2.722 20 10 CFCDMN CCOCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293612991 519904558 /nfs/dbraw/zinc/90/45/58/519904558.db2.gz LYMZHKUNYSHHBB-UHFFFAOYSA-N 0 1 261.724 2.653 20 10 CFCDMN CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158043933 521184099 /nfs/dbraw/zinc/18/40/99/521184099.db2.gz HOULQKMUPCHCQD-CYBMUJFWSA-N 0 1 296.798 2.536 20 10 CFCDMN CCCCc1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1 ZINC000276521211 521263475 /nfs/dbraw/zinc/26/34/75/521263475.db2.gz GIEDMNUQTWDFLL-UHFFFAOYSA-N 0 1 293.298 2.555 20 10 CFCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](C)OC ZINC000291135720 521344030 /nfs/dbraw/zinc/34/40/30/521344030.db2.gz XASREMQFTPXYAV-JTQLQIEISA-N 0 1 257.761 2.902 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278218955 521868208 /nfs/dbraw/zinc/86/82/08/521868208.db2.gz LEMGYWCVUFTNTP-NSHDSACASA-N 0 1 294.351 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325877 521874412 /nfs/dbraw/zinc/87/44/12/521874412.db2.gz YRKHWFVUTVJJEX-QWRGUYRKSA-N 0 1 294.351 2.787 20 10 CFCDMN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000230663318 522296843 /nfs/dbraw/zinc/29/68/43/522296843.db2.gz XPKLYNIWSRTFPB-GXTWGEPZSA-N 0 1 289.375 2.593 20 10 CFCDMN COC[C@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440512 522579981 /nfs/dbraw/zinc/57/99/81/522579981.db2.gz FISGXMBSHOCFJR-SECBINFHSA-N 0 1 288.185 2.527 20 10 CFCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCOC1 ZINC000271164943 523157958 /nfs/dbraw/zinc/15/79/58/523157958.db2.gz BHILGUKQNDOSHE-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCOC1 ZINC000271164943 523157967 /nfs/dbraw/zinc/15/79/67/523157967.db2.gz BHILGUKQNDOSHE-JTQLQIEISA-N 0 1 255.745 2.514 20 10 CFCDMN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000275296312 523584721 /nfs/dbraw/zinc/58/47/21/523584721.db2.gz YYXGTRQPMDRUTO-HUUCEWRRSA-N 0 1 295.354 2.781 20 10 CFCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000276424091 523715008 /nfs/dbraw/zinc/71/50/08/523715008.db2.gz GNUBZPVGICPNOY-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000276424091 523715012 /nfs/dbraw/zinc/71/50/12/523715012.db2.gz GNUBZPVGICPNOY-GHMZBOCLSA-N 0 1 297.782 2.677 20 10 CFCDMN CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000285508070 523877848 /nfs/dbraw/zinc/87/78/48/523877848.db2.gz DEGVZUWFZKWRLI-SECBINFHSA-N 0 1 285.771 2.715 20 10 CFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000285508070 523877854 /nfs/dbraw/zinc/87/78/54/523877854.db2.gz DEGVZUWFZKWRLI-SECBINFHSA-N 0 1 285.771 2.715 20 10 CFCDMN C[N@H+]1CC[C@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000366534761 523995998 /nfs/dbraw/zinc/99/59/98/523995998.db2.gz LUXWEPWUIMNXGO-HNNXBMFYSA-N 0 1 298.789 2.712 20 10 CFCDMN C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)Cc1ccccc1O ZINC000264595690 524354310 /nfs/dbraw/zinc/35/43/10/524354310.db2.gz IEMLMSNLVNCLID-OKILXGFUSA-N 0 1 290.407 2.614 20 10 CFCDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000219893469 524807731 /nfs/dbraw/zinc/80/77/31/524807731.db2.gz QDSJSBVMGGJJBS-UWVGGRQHSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000219893542 524924964 /nfs/dbraw/zinc/92/49/64/524924964.db2.gz QDSJSBVMGGJJBS-VHSXEESVSA-N 0 1 255.745 2.703 20 10 CFCDMN C[C@H]([NH2+]CCCCCO)c1cc(Cl)ccc1[O-] ZINC000192927501 525333991 /nfs/dbraw/zinc/33/39/91/525333991.db2.gz TWXWKXVEVQDJIX-JTQLQIEISA-N 0 1 257.761 2.859 20 10 CFCDMN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000191200437 525389727 /nfs/dbraw/zinc/38/97/27/525389727.db2.gz FUOBCFRWCOUNSU-QWRGUYRKSA-N 0 1 296.361 2.805 20 10 CFCDMN C[C@@H](NCc1ncccc1N(C)C)c1cc(F)ccc1O ZINC000289941177 525560932 /nfs/dbraw/zinc/56/09/32/525560932.db2.gz VZAFOAKGNHATSJ-LLVKDONJSA-N 0 1 289.354 2.843 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000191426246 526345354 /nfs/dbraw/zinc/34/53/54/526345354.db2.gz RABGOXCILLCLPV-AWEZNQCLSA-N 0 1 285.746 2.797 20 10 CFCDMN Cc1noc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000185972018 526611841 /nfs/dbraw/zinc/61/18/41/526611841.db2.gz DTDVNWVIULHHQO-MRVPVSSYSA-N 0 1 281.743 2.630 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCOC1 ZINC000730803864 574097668 /nfs/dbraw/zinc/09/76/68/574097668.db2.gz PHJRCOAORBNXNV-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCOC1 ZINC000730803864 574097671 /nfs/dbraw/zinc/09/76/71/574097671.db2.gz PHJRCOAORBNXNV-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000754567359 574103923 /nfs/dbraw/zinc/10/39/23/574103923.db2.gz PXRMRBRBTCDHCR-CMPLNLGQSA-N 0 1 295.354 2.639 20 10 CFCDMN COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)c(C)o1 ZINC000731842776 574130400 /nfs/dbraw/zinc/13/04/00/574130400.db2.gz BIDOSHKIDZEAOA-UHFFFAOYSA-N 0 1 289.331 2.712 20 10 CFCDMN C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737494729 574145095 /nfs/dbraw/zinc/14/50/95/574145095.db2.gz ZTWDPTGLSADRIU-OAHLLOKOSA-N 0 1 289.306 2.789 20 10 CFCDMN Cc1cc(O)c(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1C ZINC000738463429 574170429 /nfs/dbraw/zinc/17/04/29/574170429.db2.gz BWKFGQQKMKWCTI-LBPRGKRZSA-N 0 1 277.364 2.694 20 10 CFCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733183922 574204826 /nfs/dbraw/zinc/20/48/26/574204826.db2.gz POMAIEZHYJHXMR-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733183922 574204829 /nfs/dbraw/zinc/20/48/29/574204829.db2.gz POMAIEZHYJHXMR-ZDUSSCGKSA-N 0 1 286.375 2.799 20 10 CFCDMN O=C([O-])CCCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756299050 574222731 /nfs/dbraw/zinc/22/27/31/574222731.db2.gz OLGABGLJFSLIGL-UHFFFAOYSA-N 0 1 289.734 2.919 20 10 CFCDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nncn1C ZINC000756534392 574244409 /nfs/dbraw/zinc/24/44/09/574244409.db2.gz KRYHJNSUNNBMJT-WCABBAIRSA-N 0 1 290.342 2.559 20 10 CFCDMN C[C@H](NCc1ccon1)c1cc(F)cc(F)c1O ZINC000756635220 574254196 /nfs/dbraw/zinc/25/41/96/574254196.db2.gz FGSFTXMXQHLLKH-ZETCQYMHSA-N 0 1 254.236 2.509 20 10 CFCDMN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756734230 574259930 /nfs/dbraw/zinc/25/99/30/574259930.db2.gz UZCTWXMFAOHUII-MNOVXSKESA-N 0 1 287.787 2.748 20 10 CFCDMN CCc1nnc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000756777449 574262415 /nfs/dbraw/zinc/26/24/15/574262415.db2.gz IOSLLGZSQREKRX-GHMZBOCLSA-N 0 1 274.368 2.793 20 10 CFCDMN CCN(C)c1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000741753382 574300893 /nfs/dbraw/zinc/30/08/93/574300893.db2.gz WVWCMRIFRKWANV-KBPBESRZSA-N 0 1 262.397 2.752 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813671 574395442 /nfs/dbraw/zinc/39/54/42/574395442.db2.gz RRWGAFRTAMTMMO-GXTWGEPZSA-N 0 1 286.375 2.676 20 10 CFCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000752813671 574395443 /nfs/dbraw/zinc/39/54/43/574395443.db2.gz RRWGAFRTAMTMMO-GXTWGEPZSA-N 0 1 286.375 2.676 20 10 CFCDMN Cc1ccc(O)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000251175200 604679653 /nfs/dbraw/zinc/67/96/53/604679653.db2.gz SQHLLKXTWZNWOJ-YUELXQCFSA-N 0 1 289.375 2.918 20 10 CFCDMN C[N@@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1ccccc1O ZINC000833874674 605531422 /nfs/dbraw/zinc/53/14/22/605531422.db2.gz VNOUGXVDYBHEGR-UHFFFAOYSA-N 0 1 287.319 2.509 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000083551349 618024927 /nfs/dbraw/zinc/02/49/27/618024927.db2.gz IYJTYHMLVDPZJY-OAHLLOKOSA-N 0 1 277.751 2.869 20 10 CFCDMN CCn1cc(CN(C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840914923 618459278 /nfs/dbraw/zinc/45/92/78/618459278.db2.gz ITSHCNRDZZZHKO-UHFFFAOYSA-N 0 1 286.423 2.909 20 10 CFCDMN C[C@H](CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])N(C)C ZINC000895296467 618518221 /nfs/dbraw/zinc/51/82/21/618518221.db2.gz LWPVPIKWILYKGG-SECBINFHSA-N 0 1 274.767 2.615 20 10 CFCDMN Oc1c(Br)cccc1CN1CCC(F)(F)C1 ZINC000313322338 618982035 /nfs/dbraw/zinc/98/20/35/618982035.db2.gz IAIWMFYEJWJKTO-UHFFFAOYSA-N 0 1 292.123 2.996 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)c(Cl)c1 ZINC000840939378 619080502 /nfs/dbraw/zinc/08/05/02/619080502.db2.gz NJYVSLIHKDVPCS-FZMZJTMJSA-N 0 1 283.799 2.995 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840949171 619118478 /nfs/dbraw/zinc/11/84/78/619118478.db2.gz PQNUGVVIOWAYLX-AWEZNQCLSA-N 0 1 269.772 2.869 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950567 619121130 /nfs/dbraw/zinc/12/11/30/619121130.db2.gz LDWCPZFBCKCOEA-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950567 619121131 /nfs/dbraw/zinc/12/11/31/619121131.db2.gz LDWCPZFBCKCOEA-SMDDNHRTSA-N 0 1 283.799 2.947 20 10 CFCDMN Cn1c(CNCc2ccccc2O)nc2ccccc21 ZINC000066991991 619141461 /nfs/dbraw/zinc/14/14/61/619141461.db2.gz LQPJNDHKYSZDOE-UHFFFAOYSA-N 0 1 267.332 2.569 20 10 CFCDMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C[C@H]1F ZINC000894418890 619379672 /nfs/dbraw/zinc/37/96/72/619379672.db2.gz CLGTZJDBAPJVFN-PRHODGIISA-N 0 1 259.271 2.850 20 10 CFCDMN COc1cc(C)cc(CN[C@@H](CCO)c2ccco2)c1O ZINC000894476241 619395943 /nfs/dbraw/zinc/39/59/43/619395943.db2.gz WAVHNDKRPYAQGC-ZDUSSCGKSA-N 0 1 291.347 2.516 20 10 CFCDMN COc1ccc(CN2CCC[C@@](C)(F)C2)c(O)c1OC ZINC000894658452 619434845 /nfs/dbraw/zinc/43/48/45/619434845.db2.gz IARXTYVBNIZYPU-OAHLLOKOSA-N 0 1 283.343 2.733 20 10 CFCDMN C[C@H](CO)[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CCC1 ZINC000894688012 619443329 /nfs/dbraw/zinc/44/33/29/619443329.db2.gz YCIWYGRFYREGEW-SNVBAGLBSA-N 0 1 285.334 2.653 20 10 CFCDMN Cc1noc([C@H]2CCCN2Cc2cc(F)cc(F)c2O)n1 ZINC000894757365 619458716 /nfs/dbraw/zinc/45/87/16/619458716.db2.gz ODZPKHLAJNCKSS-GFCCVEGCSA-N 0 1 295.289 2.699 20 10 CFCDMN Cc1nnc([C@@H](C)NCc2ccc3ccccc3c2O)[nH]1 ZINC000894774054 619460876 /nfs/dbraw/zinc/46/08/76/619460876.db2.gz NGXDLSCLUIIDCA-SNVBAGLBSA-N 0 1 282.347 2.823 20 10 CFCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc(F)c1F ZINC000895841345 619616533 /nfs/dbraw/zinc/61/65/33/619616533.db2.gz BSNIVBMPHRVPDT-GWCFXTLKSA-N 0 1 283.318 2.671 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1Cl ZINC000896552826 619761296 /nfs/dbraw/zinc/76/12/96/619761296.db2.gz JOYUMLAHPBLGIN-GXFFZTMASA-N 0 1 268.788 2.536 20 10 CFCDMN C[C@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCN1C ZINC000896555915 619761719 /nfs/dbraw/zinc/76/17/19/619761719.db2.gz RZSBKSRWLJEILZ-BLLLJJGKSA-N 0 1 270.376 2.728 20 10 CFCDMN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756536 620250305 /nfs/dbraw/zinc/25/03/05/620250305.db2.gz XEEDUKZSLUAWPX-UWVGGRQHSA-N 0 1 284.787 2.609 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]Cc2cnn(CCF)c2)cc1Cl ZINC000897731963 620280884 /nfs/dbraw/zinc/28/08/84/620280884.db2.gz LSBHZIIHKQVWEL-UHFFFAOYSA-N 0 1 297.761 2.810 20 10 CFCDMN Cc1ccc(O)c(CNCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000898021504 620324407 /nfs/dbraw/zinc/32/44/07/620324407.db2.gz JHTMELAJVJWWDU-UHFFFAOYSA-N 0 1 299.296 2.743 20 10 CFCDMN C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000927078529 620449215 /nfs/dbraw/zinc/44/92/15/620449215.db2.gz IMIURBLWYLIKLH-NSHDSACASA-N 0 1 299.798 2.892 20 10 CFCDMN C[C@@H]([NH2+]CC1(N)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000902403762 621069456 /nfs/dbraw/zinc/06/94/56/621069456.db2.gz BBYAEUUGLAVINW-MRVPVSSYSA-N 0 1 274.286 2.553 20 10 CFCDMN CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000903261623 621303548 /nfs/dbraw/zinc/30/35/48/621303548.db2.gz ZHCCZQCONWVETK-QEIKUCIBSA-N 0 1 296.798 2.740 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(Br)ccc1[O-] ZINC000903317729 621330673 /nfs/dbraw/zinc/33/06/73/621330673.db2.gz MDMLXHUUYJDTLL-KOLCDFICSA-N 0 1 299.212 2.509 20 10 CFCDMN C[C@H](N[C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903327716 621339220 /nfs/dbraw/zinc/33/92/20/621339220.db2.gz XWDSHOTUNUNYHF-NHYWBVRUSA-N 0 1 269.348 2.984 20 10 CFCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000905741604 621842730 /nfs/dbraw/zinc/84/27/30/621842730.db2.gz XQJHDULYFIVVKG-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000905741604 621842732 /nfs/dbraw/zinc/84/27/32/621842732.db2.gz XQJHDULYFIVVKG-LBPRGKRZSA-N 0 1 272.348 2.551 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000227827367 623119699 /nfs/dbraw/zinc/11/96/99/623119699.db2.gz RJCLAWDBDIGHSX-STQMWFEESA-N 0 1 269.772 2.949 20 10 CFCDMN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230153207 623255800 /nfs/dbraw/zinc/25/58/00/623255800.db2.gz JOKNVXNVOHEZOE-RNCFNFMXSA-N 0 1 255.745 2.703 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230669595 623289737 /nfs/dbraw/zinc/28/97/37/623289737.db2.gz MZOXLHNOKOWFFR-MFKMUULPSA-N 0 1 269.772 2.686 20 10 CFCDMN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1 ZINC000245538785 623507477 /nfs/dbraw/zinc/50/74/77/623507477.db2.gz KJQAYKNKHQKSBS-OCCSQVGLSA-N 0 1 279.380 2.709 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](C1CC1)C1COC1 ZINC000824472884 623511340 /nfs/dbraw/zinc/51/13/40/623511340.db2.gz ZYNPWHNCGZNNFG-UHFFFAOYSA-N 0 1 271.719 2.548 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C1CC1)C1COC1 ZINC000824472884 623511343 /nfs/dbraw/zinc/51/13/43/623511343.db2.gz ZYNPWHNCGZNNFG-UHFFFAOYSA-N 0 1 271.719 2.548 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN(C1CC1)C1COC1 ZINC000824472884 623511345 /nfs/dbraw/zinc/51/13/45/623511345.db2.gz ZYNPWHNCGZNNFG-UHFFFAOYSA-N 0 1 271.719 2.548 20 10 CFCDMN CC(C)N(Cc1ccc(N(C)C)c(F)c1)C1COC1 ZINC000824472441 623511752 /nfs/dbraw/zinc/51/17/52/623511752.db2.gz RLUVMURFNDNTMT-UHFFFAOYSA-N 0 1 266.360 2.501 20 10 CFCDMN Cc1cc(O)c(CN2CCSCC2)cc1Cl ZINC000824549217 623522027 /nfs/dbraw/zinc/52/20/27/623522027.db2.gz ZGGNJIZUWWJQLL-UHFFFAOYSA-N 0 1 257.786 2.903 20 10 CFCDMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000232752074 623523416 /nfs/dbraw/zinc/52/34/16/623523416.db2.gz IJVNPKZKBRBQMX-KRWDZBQOSA-N 0 1 290.407 2.685 20 10 CFCDMN CN(Cc1c(C2CC2)cnn1C)Cc1ccccc1O ZINC000824597714 623529470 /nfs/dbraw/zinc/52/94/70/623529470.db2.gz UICQGLUOWYIXSR-UHFFFAOYSA-N 0 1 271.364 2.635 20 10 CFCDMN CN(C)c1ccc(CNC2(CF)CCOCC2)cc1F ZINC000824690636 623545679 /nfs/dbraw/zinc/54/56/79/623545679.db2.gz JTFLTPKINGDCPG-UHFFFAOYSA-N 0 1 284.350 2.500 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H](C)O)CC2)cc1Cl ZINC000824689185 623545887 /nfs/dbraw/zinc/54/58/87/623545887.db2.gz LPIQMLFJYDRVIM-LLVKDONJSA-N 0 1 283.799 2.947 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000824815493 623571341 /nfs/dbraw/zinc/57/13/41/623571341.db2.gz RBEIOTBZHOBYEI-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000824815493 623571343 /nfs/dbraw/zinc/57/13/43/623571343.db2.gz RBEIOTBZHOBYEI-IINYFYTJSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCOC[C@H](C)C2)cc1Cl ZINC000824836575 623573588 /nfs/dbraw/zinc/57/35/88/623573588.db2.gz PHRMVKZTNXEMKF-SNVBAGLBSA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)cc1Cl ZINC000824836575 623573591 /nfs/dbraw/zinc/57/35/91/623573591.db2.gz PHRMVKZTNXEMKF-SNVBAGLBSA-N 0 1 269.772 2.822 20 10 CFCDMN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000824845959 623576540 /nfs/dbraw/zinc/57/65/40/623576540.db2.gz POVDNQYNKNKGBI-GDBMZVCRSA-N 0 1 283.387 2.910 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845285 623576613 /nfs/dbraw/zinc/57/66/13/623576613.db2.gz IWIORDUKBJSEPO-CZUORRHYSA-N 0 1 295.810 2.932 20 10 CFCDMN CC[N@H+](CCCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824863477 623580073 /nfs/dbraw/zinc/58/00/73/623580073.db2.gz RMRBRARKYOGHLP-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN CC[N@@H+](CCCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824863477 623580074 /nfs/dbraw/zinc/58/00/74/623580074.db2.gz RMRBRARKYOGHLP-UHFFFAOYSA-N 0 1 257.761 2.558 20 10 CFCDMN CCOc1cccc(CNCc2cnc(CC)o2)c1O ZINC000825079430 623624135 /nfs/dbraw/zinc/62/41/35/623624135.db2.gz TVLGSIDSVIDZBC-UHFFFAOYSA-N 0 1 276.336 2.631 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cn2ccnc2)cc1Cl ZINC000825108541 623632685 /nfs/dbraw/zinc/63/26/85/623632685.db2.gz WIJCDZKMDCLHAU-NSHDSACASA-N 0 1 279.771 2.729 20 10 CFCDMN COc1ccc(O)c(CNc2ccc3c(n2)CCC3)c1 ZINC000825124405 623635301 /nfs/dbraw/zinc/63/53/01/623635301.db2.gz PIPLQSMMIMEDHS-UHFFFAOYSA-N 0 1 270.332 2.897 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCN2C)cc1Cl ZINC000825159687 623641561 /nfs/dbraw/zinc/64/15/61/623641561.db2.gz GTAOHHHKCJGKKB-GFCCVEGCSA-N 0 1 268.788 2.538 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C(C)(C)O)cc1Cl ZINC000825185966 623646319 /nfs/dbraw/zinc/64/63/19/623646319.db2.gz UKKZOHBFFIUMTI-VIFPVBQESA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)CCO)cc1Cl ZINC000825283115 623663452 /nfs/dbraw/zinc/66/34/52/623663452.db2.gz FHWORCDYGYRCFY-UHFFFAOYSA-N 0 1 257.761 2.605 20 10 CFCDMN CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292602 623665994 /nfs/dbraw/zinc/66/59/94/623665994.db2.gz ZKGJVWHMBQJKPO-NOZJJQNGSA-N 0 1 289.828 2.556 20 10 CFCDMN COC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825321396 623671406 /nfs/dbraw/zinc/67/14/06/623671406.db2.gz XAIFIANEOZZPMF-UHFFFAOYSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CO[C@H]2CCOC2)cc1Cl ZINC000825346316 623677899 /nfs/dbraw/zinc/67/78/99/623677899.db2.gz DCPOLESDWZEDHB-YPMHNXCESA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825450543 623695520 /nfs/dbraw/zinc/69/55/20/623695520.db2.gz ICSAHAZSQHROEX-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825450543 623695527 /nfs/dbraw/zinc/69/55/27/623695527.db2.gz ICSAHAZSQHROEX-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825450543 623695534 /nfs/dbraw/zinc/69/55/34/623695534.db2.gz ICSAHAZSQHROEX-NEPJUHHUSA-N 0 1 283.799 2.947 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCOC2)cc1Cl ZINC000825497329 623702960 /nfs/dbraw/zinc/70/29/60/623702960.db2.gz 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ZINC000801595064 630461333 /nfs/dbraw/zinc/46/13/33/630461333.db2.gz GDJUFNRUKIGDEL-ZDUSSCGKSA-N 0 1 251.370 2.623 20 10 CFCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](C)CO ZINC000801595064 630461334 /nfs/dbraw/zinc/46/13/34/630461334.db2.gz GDJUFNRUKIGDEL-ZDUSSCGKSA-N 0 1 251.370 2.623 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802658441 630536749 /nfs/dbraw/zinc/53/67/49/630536749.db2.gz ASMODIMESYKCRE-JTQLQIEISA-N 0 1 277.698 2.859 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802658441 630536753 /nfs/dbraw/zinc/53/67/53/630536753.db2.gz ASMODIMESYKCRE-JTQLQIEISA-N 0 1 277.698 2.859 20 10 CFCDMN Oc1ccc(Cl)cc1CN1CC[C@H](OC(F)F)C1 ZINC000802658441 630536756 /nfs/dbraw/zinc/53/67/56/630536756.db2.gz ASMODIMESYKCRE-JTQLQIEISA-N 0 1 277.698 2.859 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1csnn1 ZINC000840885408 631251168 /nfs/dbraw/zinc/25/11/68/631251168.db2.gz DCHJNCYGMHQQHP-JGVFFNPUSA-N 0 1 294.336 2.564 20 10 CFCDMN CCC[C@@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840896099 631255845 /nfs/dbraw/zinc/25/58/45/631255845.db2.gz DKWVPKBENWGDFV-SNVBAGLBSA-N 0 1 257.761 2.605 20 10 CFCDMN CCn1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cn1 ZINC000840900551 631256600 /nfs/dbraw/zinc/25/66/00/631256600.db2.gz UMOHRRVVSGNKOT-UHFFFAOYSA-N 0 1 279.771 2.860 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCCO[C@H]2CCOC2)c(Cl)c1 ZINC000840905282 631257392 /nfs/dbraw/zinc/25/73/92/631257392.db2.gz QEVRYJZVMMKWSG-LBPRGKRZSA-N 0 1 299.798 2.639 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(Cl)c1 ZINC000840904892 631257602 /nfs/dbraw/zinc/25/76/02/631257602.db2.gz DIHKAAHMRIBPRE-TXEJJXNPSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)c(Cl)c1 ZINC000840904889 631257866 /nfs/dbraw/zinc/25/78/66/631257866.db2.gz DIHKAAHMRIBPRE-HAQNSBGRSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CCOC(C)(C)C1 ZINC000840910103 631261277 /nfs/dbraw/zinc/26/12/77/631261277.db2.gz FRUCJGFXWGPBMI-UHFFFAOYSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc(N(C)C)ccc1CN1CCOC(C)(C)C1 ZINC000840910103 631261281 /nfs/dbraw/zinc/26/12/81/631261281.db2.gz FRUCJGFXWGPBMI-UHFFFAOYSA-N 0 1 262.397 2.672 20 10 CFCDMN CC(=O)OC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840914796 631262672 /nfs/dbraw/zinc/26/26/72/631262672.db2.gz GHJWQJOCKMBHEP-UHFFFAOYSA-N 0 1 297.782 2.882 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840918891 631264089 /nfs/dbraw/zinc/26/40/89/631264089.db2.gz MRMVBCVXRSXZKH-OAHLLOKOSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840918891 631264093 /nfs/dbraw/zinc/26/40/93/631264093.db2.gz MRMVBCVXRSXZKH-OAHLLOKOSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCOC[C@H]2C)c(Cl)c1 ZINC000840918661 631264417 /nfs/dbraw/zinc/26/44/17/631264417.db2.gz XNVYATRRFNIDAE-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCOC[C@H]2C)c(Cl)c1 ZINC000840918661 631264422 /nfs/dbraw/zinc/26/44/22/631264422.db2.gz XNVYATRRFNIDAE-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](C)O)c(Cl)c1 ZINC000840936728 631268798 /nfs/dbraw/zinc/26/87/98/631268798.db2.gz LFPILFKNQBSNHM-VHSXEESVSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(Cl)c1 ZINC000840938314 631271119 /nfs/dbraw/zinc/27/11/19/631271119.db2.gz MWATUOJQILEINS-MFKMUULPSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)[C@H](C)C2)c(Cl)c1 ZINC000840938314 631271126 /nfs/dbraw/zinc/27/11/26/631271126.db2.gz MWATUOJQILEINS-MFKMUULPSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCN2CC=CCC2)c(Cl)c1 ZINC000840941429 631273251 /nfs/dbraw/zinc/27/32/51/631273251.db2.gz WZFACKAKTYHIFG-UHFFFAOYSA-N 0 1 280.799 2.706 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c(Cl)c1 ZINC000840949465 631276171 /nfs/dbraw/zinc/27/61/71/631276171.db2.gz WHHSLYXIXKBTCX-ABAIWWIYSA-N 0 1 283.799 2.995 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC000840948980 631276257 /nfs/dbraw/zinc/27/62/57/631276257.db2.gz LFFHRTBOYNONEI-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC000840948980 631276262 /nfs/dbraw/zinc/27/62/62/631276262.db2.gz LFFHRTBOYNONEI-LBPRGKRZSA-N 0 1 283.799 2.948 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)C2CC2)c(Cl)c1 ZINC000840947891 631277028 /nfs/dbraw/zinc/27/70/28/631277028.db2.gz BRIUPBUUOKNSDI-AWEZNQCLSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)C2CC2)c(Cl)c1 ZINC000840947891 631277032 /nfs/dbraw/zinc/27/70/32/631277032.db2.gz BRIUPBUUOKNSDI-AWEZNQCLSA-N 0 1 269.772 2.557 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950566 631278539 /nfs/dbraw/zinc/27/85/39/631278539.db2.gz LDWCPZFBCKCOEA-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cc(C)cc1Cl ZINC000840950566 631278545 /nfs/dbraw/zinc/27/85/45/631278545.db2.gz LDWCPZFBCKCOEA-RISCZKNCSA-N 0 1 283.799 2.947 20 10 CFCDMN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809767815 631285146 /nfs/dbraw/zinc/28/51/46/631285146.db2.gz UYRZJGDXVQOYCR-ZDUSSCGKSA-N 0 1 271.788 2.884 20 10 CFCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809767815 631285148 /nfs/dbraw/zinc/28/51/48/631285148.db2.gz UYRZJGDXVQOYCR-ZDUSSCGKSA-N 0 1 271.788 2.884 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977708 631292215 /nfs/dbraw/zinc/29/22/15/631292215.db2.gz JKSBPLOHAKUUII-GHMZBOCLSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000840977708 631292221 /nfs/dbraw/zinc/29/22/21/631292221.db2.gz JKSBPLOHAKUUII-GHMZBOCLSA-N 0 1 269.772 2.638 20 10 CFCDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000840978677 631292324 /nfs/dbraw/zinc/29/23/24/631292324.db2.gz OZYQEVYOTHBLFS-UWVGGRQHSA-N 0 1 287.762 2.778 20 10 CFCDMN COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000810256683 631351128 /nfs/dbraw/zinc/35/11/28/631351128.db2.gz DVENBJSVDJIWJH-JQWIXIFHSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841757362 631468427 /nfs/dbraw/zinc/46/84/27/631468427.db2.gz NRHONDPKVKQJJA-MWLCHTKSSA-N 0 1 255.745 2.875 20 10 CFCDMN CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)ccc1[O-] ZINC000841760850 631469404 /nfs/dbraw/zinc/46/94/04/631469404.db2.gz YYWNTESXTCKOLO-VHRBIJSZSA-N 0 1 269.772 3.000 20 10 CFCDMN CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000811517839 631575744 /nfs/dbraw/zinc/57/57/44/631575744.db2.gz BKVSBJBPVITKAM-CQSZACIVSA-N 0 1 283.799 2.932 20 10 CFCDMN C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843045280 631812053 /nfs/dbraw/zinc/81/20/53/631812053.db2.gz UECHKFNPFFUSIZ-LBPRGKRZSA-N 0 1 282.815 2.785 20 10 CFCDMN [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cccc(F)c1[O-] ZINC000843129998 631849088 /nfs/dbraw/zinc/84/90/88/631849088.db2.gz WKFXGUBTJAUJSC-MRXNPFEDSA-N 0 1 286.350 2.589 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCOC1 ZINC000156028698 650040692 /nfs/dbraw/zinc/04/06/92/650040692.db2.gz OVFXCEOFXQYSFU-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCOC1 ZINC000156028698 650040697 /nfs/dbraw/zinc/04/06/97/650040697.db2.gz OVFXCEOFXQYSFU-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN COc1cccc(O)c1CN(C)Cc1occc1C ZINC000814175598 632023169 /nfs/dbraw/zinc/02/31/69/632023169.db2.gz WYYGAPYMVFTFFN-UHFFFAOYSA-N 0 1 261.321 2.934 20 10 CFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(F)CC1 ZINC000843888843 632071917 /nfs/dbraw/zinc/07/19/17/632071917.db2.gz HIZQNZJGOSUSFH-UHFFFAOYSA-N 0 1 278.110 2.817 20 10 CFCDMN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844376489 632185459 /nfs/dbraw/zinc/18/54/59/632185459.db2.gz CSSHKPHHNVMGIA-MEBBXXQBSA-N 0 1 297.370 2.621 20 10 CFCDMN Cc1cc(CN2C[C@@H](C)OC[C@H]2C)ccc1N(C)C ZINC000815011379 632187753 /nfs/dbraw/zinc/18/77/53/632187753.db2.gz LBABTTQXFMLBCR-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000844734248 632291760 /nfs/dbraw/zinc/29/17/60/632291760.db2.gz WDXUKVQVVFEURC-OCCSQVGLSA-N 0 1 286.375 2.940 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H](C)CO1 ZINC000844734248 632291764 /nfs/dbraw/zinc/29/17/64/632291764.db2.gz WDXUKVQVVFEURC-OCCSQVGLSA-N 0 1 286.375 2.940 20 10 CFCDMN C[C@@H]([NH2+]CC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645008 632304671 /nfs/dbraw/zinc/30/46/71/632304671.db2.gz SERVBFCAJLOKQV-SSDOTTSWSA-N 0 1 260.240 2.606 20 10 CFCDMN Oc1c(C[N@@H+]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816481260 632466949 /nfs/dbraw/zinc/46/69/49/632466949.db2.gz OETDGZHNIBXXIT-CQSZACIVSA-N 0 1 257.333 2.502 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816481260 632466951 /nfs/dbraw/zinc/46/69/51/632466951.db2.gz OETDGZHNIBXXIT-CQSZACIVSA-N 0 1 257.333 2.502 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816481260 632466958 /nfs/dbraw/zinc/46/69/58/632466958.db2.gz OETDGZHNIBXXIT-CQSZACIVSA-N 0 1 257.333 2.502 20 10 CFCDMN CC1(C)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816492296 632470094 /nfs/dbraw/zinc/47/00/94/632470094.db2.gz OCNHPGVEGIKVKX-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000816493760 632470180 /nfs/dbraw/zinc/47/01/80/632470180.db2.gz MROKKMYMZUCTBH-UHFFFAOYSA-N 0 1 273.735 2.796 20 10 CFCDMN COC(=O)C(C)(C)N(C)Cc1cc(Cl)c(F)cc1O ZINC000816501347 632472200 /nfs/dbraw/zinc/47/22/00/632472200.db2.gz GZJUECNNPUIIJS-UHFFFAOYSA-N 0 1 289.734 2.568 20 10 CFCDMN CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000816504249 632473756 /nfs/dbraw/zinc/47/37/56/632473756.db2.gz FMSRHPUWUFUBQD-GFCCVEGCSA-N 0 1 298.789 2.853 20 10 CFCDMN C[N@H+](CCN1CCCC1=O)Cc1ccc2ccccc2c1[O-] ZINC000816508800 632473789 /nfs/dbraw/zinc/47/37/89/632473789.db2.gz VLNYIBXMKCJYEO-UHFFFAOYSA-N 0 1 298.386 2.600 20 10 CFCDMN C[N@@H+](CCN1CCCC1=O)Cc1ccc2ccccc2c1[O-] ZINC000816508800 632473793 /nfs/dbraw/zinc/47/37/93/632473793.db2.gz VLNYIBXMKCJYEO-UHFFFAOYSA-N 0 1 298.386 2.600 20 10 CFCDMN CN(Cc1cc[nH]n1)Cc1cc(Cl)c(F)cc1O ZINC000816508369 632473808 /nfs/dbraw/zinc/47/38/08/632473808.db2.gz KPCWTJADPDMTII-UHFFFAOYSA-N 0 1 269.707 2.540 20 10 CFCDMN C[C@H](O)CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816513179 632475522 /nfs/dbraw/zinc/47/55/22/632475522.db2.gz IYSNNDJUCCJTLP-LBPRGKRZSA-N 0 1 259.349 2.748 20 10 CFCDMN C[C@H](O)CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816513179 632475525 /nfs/dbraw/zinc/47/55/25/632475525.db2.gz IYSNNDJUCCJTLP-LBPRGKRZSA-N 0 1 259.349 2.748 20 10 CFCDMN COCCOCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816530247 632479691 /nfs/dbraw/zinc/47/96/91/632479691.db2.gz AMYKUQIBEPWOQS-UHFFFAOYSA-N 0 1 289.375 2.688 20 10 CFCDMN [O-]c1c(C[NH2+]CCCn2cccn2)ccc2ccccc21 ZINC000816533212 632479713 /nfs/dbraw/zinc/47/97/13/632479713.db2.gz MUIIQSFVMJOFMT-UHFFFAOYSA-N 0 1 281.359 2.922 20 10 CFCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816558813 632484217 /nfs/dbraw/zinc/48/42/17/632484217.db2.gz LYBBGSLUYIMTBZ-AWEZNQCLSA-N 0 1 299.292 2.948 20 10 CFCDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559025 632484237 /nfs/dbraw/zinc/48/42/37/632484237.db2.gz VDNNKEHZNWPQLI-CVEARBPZSA-N 0 1 298.386 2.550 20 10 CFCDMN C[C@H](O)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816566945 632486328 /nfs/dbraw/zinc/48/63/28/632486328.db2.gz LYNTWHFNFISSPJ-RYUDHWBXSA-N 0 1 259.349 2.794 20 10 CFCDMN C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566534 632486490 /nfs/dbraw/zinc/48/64/90/632486490.db2.gz YELDJVROPNZCDF-OCCSQVGLSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566534 632486492 /nfs/dbraw/zinc/48/64/92/632486492.db2.gz YELDJVROPNZCDF-OCCSQVGLSA-N 0 1 271.360 2.748 20 10 CFCDMN CC[C@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574462 632487699 /nfs/dbraw/zinc/48/76/99/632487699.db2.gz IKORLFHZSAJRFQ-KRWDZBQOSA-N 0 1 271.360 2.892 20 10 CFCDMN CC[C@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816574462 632487702 /nfs/dbraw/zinc/48/77/02/632487702.db2.gz IKORLFHZSAJRFQ-KRWDZBQOSA-N 0 1 271.360 2.892 20 10 CFCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000816616580 632496133 /nfs/dbraw/zinc/49/61/33/632496133.db2.gz AJAILYHGUJUKHV-JTQLQIEISA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H]1C ZINC000816648001 632501492 /nfs/dbraw/zinc/50/14/92/632501492.db2.gz CDWWCYDYYDBYRQ-BDAKNGLRSA-N 0 1 270.170 2.995 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000816645973 632502696 /nfs/dbraw/zinc/50/26/96/632502696.db2.gz QLSCLWQKZGCRHB-UHFFFAOYSA-N 0 1 297.782 2.775 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@H](CC)OC[C@H]2C)c1 ZINC000846045241 632623505 /nfs/dbraw/zinc/62/35/05/632623505.db2.gz VZTVCZBQNDFHNP-OCCSQVGLSA-N 0 1 279.380 2.790 20 10 CFCDMN CCc1nocc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055830 632625056 /nfs/dbraw/zinc/62/50/56/632625056.db2.gz PPRSIHXGNGPINL-UHFFFAOYSA-N 0 1 266.728 2.886 20 10 CFCDMN COc1cccc(CN2C[C@H](C)OCC23CCC3)c1O ZINC000846067579 632628869 /nfs/dbraw/zinc/62/88/69/632628869.db2.gz UKAFRSHMOVRYFD-LBPRGKRZSA-N 0 1 277.364 2.544 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000846273880 632679776 /nfs/dbraw/zinc/67/97/76/632679776.db2.gz FJSTWGOVECVMHG-KRWDZBQOSA-N 0 1 290.407 2.829 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846280614 632682475 /nfs/dbraw/zinc/68/24/75/632682475.db2.gz OBYTZDRRLCOVGF-BBRMVZONSA-N 0 1 290.407 2.828 20 10 CFCDMN CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846280616 632682653 /nfs/dbraw/zinc/68/26/53/632682653.db2.gz OBYTZDRRLCOVGF-CZUORRHYSA-N 0 1 290.407 2.828 20 10 CFCDMN Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846281396 632683833 /nfs/dbraw/zinc/68/38/33/632683833.db2.gz XKHCAFCYRUZGFH-LRDDRELGSA-N 0 1 290.407 2.746 20 10 CFCDMN CCNCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951141 632751860 /nfs/dbraw/zinc/75/18/60/632751860.db2.gz AFDIKDSBGMPUNI-MRVPVSSYSA-N 0 1 277.195 2.959 20 10 CFCDMN C[C@@H](N)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817972082 632772340 /nfs/dbraw/zinc/77/23/40/632772340.db2.gz JOIHRAJBKMLCIW-RNFRBKRXSA-N 0 1 263.168 2.697 20 10 CFCDMN CC(C)(CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000818630481 632885418 /nfs/dbraw/zinc/88/54/18/632885418.db2.gz LCNIKHFGUQCMKY-UHFFFAOYSA-N 0 1 289.734 2.775 20 10 CFCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1CO ZINC000857060712 635921838 /nfs/dbraw/zinc/92/18/38/635921838.db2.gz FIEIDVGURMLZKW-CJNGLKHVSA-N 0 1 285.387 2.996 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1CO ZINC000857060712 635921839 /nfs/dbraw/zinc/92/18/39/635921839.db2.gz FIEIDVGURMLZKW-CJNGLKHVSA-N 0 1 285.387 2.996 20 10 CFCDMN Cc1ncncc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000848525242 633276591 /nfs/dbraw/zinc/27/65/91/633276591.db2.gz MKWFCTOQHYKTHL-LLVKDONJSA-N 0 1 269.348 2.571 20 10 CFCDMN CC(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000848639296 633305597 /nfs/dbraw/zinc/30/55/97/633305597.db2.gz GTXSNAKZOLNNIP-VIFPVBQESA-N 0 1 289.734 2.631 20 10 CFCDMN CCc1ncc(CNCc2cccc(CC)c2O)o1 ZINC000848914789 633399903 /nfs/dbraw/zinc/39/99/03/633399903.db2.gz NPFOGKUQCPFHEJ-UHFFFAOYSA-N 0 1 260.337 2.795 20 10 CFCDMN CCOc1ccc(O)c(CN2CC3(CC3(F)F)C2)c1 ZINC000848922058 633403685 /nfs/dbraw/zinc/40/36/85/633403685.db2.gz LQAOXGJMJJDCTB-UHFFFAOYSA-N 0 1 269.291 2.632 20 10 CFCDMN COc1ccnc(CNCc2cc(C)c(C)cc2O)c1F ZINC000850380933 633968067 /nfs/dbraw/zinc/96/80/67/633968067.db2.gz QXAIEOJGHBXIQA-UHFFFAOYSA-N 0 1 290.338 2.842 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@]23C[C@H]2COC3(C)C)cc1F ZINC000858229533 636158825 /nfs/dbraw/zinc/15/88/25/636158825.db2.gz COSBCPCVHRWMEK-MEDUHNTESA-N 0 1 296.361 2.688 20 10 CFCDMN CCC(CC)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109769031 634233795 /nfs/dbraw/zinc/23/37/95/634233795.db2.gz NNXRYIDQMYHPEN-LBPRGKRZSA-N 0 1 278.396 2.517 20 10 CFCDMN CN(CC[S@](=O)c1ccccc1)Cc1ccccc1O ZINC000111235837 634963192 /nfs/dbraw/zinc/96/31/92/634963192.db2.gz PQTCNZARXOWHRY-HXUWFJFHSA-N 0 1 289.400 2.632 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@@](C)(C(F)F)C2)c1 ZINC000853633130 635054810 /nfs/dbraw/zinc/05/48/10/635054810.db2.gz PPLZYMPWYKQSEJ-OAHLLOKOSA-N 0 1 285.334 2.865 20 10 CFCDMN O=C([O-])CCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000854241262 635269394 /nfs/dbraw/zinc/26/93/94/635269394.db2.gz KLTWWHRYDKAMQK-UHFFFAOYSA-N 0 1 281.327 2.608 20 10 CFCDMN CCC(CC)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113341590 635555108 /nfs/dbraw/zinc/55/51/08/635555108.db2.gz MNCVFVYXDZNINN-AWEZNQCLSA-N 0 1 271.788 2.932 20 10 CFCDMN CN(C)c1cc(F)c(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000858297076 636179588 /nfs/dbraw/zinc/17/95/88/636179588.db2.gz ACYUOVLBXFGWBE-BLLLJJGKSA-N 0 1 296.361 2.688 20 10 CFCDMN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858583400 636301002 /nfs/dbraw/zinc/30/10/02/636301002.db2.gz BJEOZVGVHOSRDF-FBIMIBRVSA-N 0 1 255.745 2.874 20 10 CFCDMN CCCCN(CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862211403 637288632 /nfs/dbraw/zinc/28/86/32/637288632.db2.gz IUKMOWXRCKRTGY-UHFFFAOYSA-N 0 1 286.366 2.625 20 10 CFCDMN CCOC[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862251170 637300743 /nfs/dbraw/zinc/30/07/43/637300743.db2.gz WTTMDSXSIALQJC-LBPRGKRZSA-N 0 1 298.377 2.889 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)C[C@@H]2CCC[C@@H]2O)cc1F ZINC000862251654 637302651 /nfs/dbraw/zinc/30/26/51/637302651.db2.gz KHOCOAPQNUHFEQ-ZBEGNZNMSA-N 0 1 298.377 2.624 20 10 CFCDMN C[C@H](O)[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301596 637317336 /nfs/dbraw/zinc/31/73/36/637317336.db2.gz GNKZCTWQFAUVQX-NWDGAFQWSA-N 0 1 298.377 2.624 20 10 CFCDMN COc1cccc(CNCc2cnc(C3CC3)o2)c1O ZINC000862367590 637339067 /nfs/dbraw/zinc/33/90/67/637339067.db2.gz OMGZUAVNHNKKLK-UHFFFAOYSA-N 0 1 274.320 2.556 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440865 637380983 /nfs/dbraw/zinc/38/09/83/637380983.db2.gz MKXMMSBCCJSPNT-DTORHVGOSA-N 0 1 268.154 2.606 20 10 CFCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440865 637380988 /nfs/dbraw/zinc/38/09/88/637380988.db2.gz MKXMMSBCCJSPNT-DTORHVGOSA-N 0 1 268.154 2.606 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1(C)COC1 ZINC000862479495 637397087 /nfs/dbraw/zinc/39/70/87/637397087.db2.gz QEUGQZVYZGSWFH-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739010 637765886 /nfs/dbraw/zinc/76/58/86/637765886.db2.gz GSMUEMFZXFSKQA-MFKMUULPSA-N 0 1 297.782 2.897 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000865871797 638630475 /nfs/dbraw/zinc/63/04/75/638630475.db2.gz LYBACPQLZZURGT-LBPRGKRZSA-N 0 1 277.755 2.867 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000866489506 638830161 /nfs/dbraw/zinc/83/01/61/638830161.db2.gz QECKDQLBQPTZBD-DYEKYZERSA-N 0 1 269.772 3.000 20 10 CFCDMN CCCOc1ccc(CN[C@H](C)C(=O)NC(C)C)cc1C ZINC000873132450 642023072 /nfs/dbraw/zinc/02/30/72/642023072.db2.gz UOKKIODNSVAHRU-CQSZACIVSA-N 0 1 292.423 2.787 20 10 CFCDMN CCCOc1ccc(CNCc2cnnn2CC)cc1C ZINC000873140989 642028987 /nfs/dbraw/zinc/02/89/87/642028987.db2.gz YNMNYNJHDVCKDA-UHFFFAOYSA-N 0 1 288.395 2.685 20 10 CFCDMN CCOc1ccc(CN[C@@H](C)c2nccnc2C)c(O)c1 ZINC000873188442 642055529 /nfs/dbraw/zinc/05/55/29/642055529.db2.gz IDGGUNFLLBAPEP-LBPRGKRZSA-N 0 1 287.363 2.740 20 10 CFCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)S1 ZINC000876642939 642955134 /nfs/dbraw/zinc/95/51/34/642955134.db2.gz PPTOXYRKJYEDSG-DTORHVGOSA-N 0 1 273.348 2.996 20 10 CFCDMN CCn1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876741111 642989004 /nfs/dbraw/zinc/98/90/04/642989004.db2.gz LVEOASLBTIGUFV-UHFFFAOYSA-N 0 1 281.306 2.519 20 10 CFCDMN CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000876764878 642999984 /nfs/dbraw/zinc/99/99/84/642999984.db2.gz QXYDIWSCOKFCDJ-FZMZJTMJSA-N 0 1 298.377 2.833 20 10 CFCDMN CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000876764878 642999985 /nfs/dbraw/zinc/99/99/85/642999985.db2.gz QXYDIWSCOKFCDJ-FZMZJTMJSA-N 0 1 298.377 2.833 20 10 CFCDMN CCC1(CC)CN(Cc2c(C)cccc2O)CC[S@]1=O ZINC000877398438 643258731 /nfs/dbraw/zinc/25/87/31/643258731.db2.gz FEVPRYFVTRWYMZ-HXUWFJFHSA-N 0 1 295.448 2.824 20 10 CFCDMN COC(=O)[C@H](C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877471780 643290342 /nfs/dbraw/zinc/29/03/42/643290342.db2.gz AKBWVVGWGVZZOP-VIFPVBQESA-N 0 1 299.317 2.586 20 10 CFCDMN COC(=O)[C@H](C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000877471780 643290346 /nfs/dbraw/zinc/29/03/46/643290346.db2.gz AKBWVVGWGVZZOP-VIFPVBQESA-N 0 1 299.317 2.586 20 10 CFCDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487172 643301501 /nfs/dbraw/zinc/30/15/01/643301501.db2.gz VVGTVYBPSRTVRB-PWSUYJOCSA-N 0 1 285.334 2.796 20 10 CFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC(CO)CC1 ZINC000877531523 643334603 /nfs/dbraw/zinc/33/46/03/643334603.db2.gz ONPZGJFZPOXXQT-UHFFFAOYSA-N 0 1 285.334 2.653 20 10 CFCDMN Cc1ccc(CNCc2noc3c2CCCC3)c(O)c1 ZINC000877534272 643337667 /nfs/dbraw/zinc/33/76/67/643337667.db2.gz DFJVBKZPOGEVMQ-UHFFFAOYSA-N 0 1 272.348 2.857 20 10 CFCDMN CCC[C@]1(CO)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877538060 643341108 /nfs/dbraw/zinc/34/11/08/643341108.db2.gz UMBDWEFPKNQEIA-HNNXBMFYSA-N 0 1 285.334 2.655 20 10 CFCDMN COCc1nc(CNCc2c(C)cccc2O)cs1 ZINC000877539281 643341680 /nfs/dbraw/zinc/34/16/80/643341680.db2.gz MQOVEZCWHSHLPJ-UHFFFAOYSA-N 0 1 278.377 2.593 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC000877565740 643365067 /nfs/dbraw/zinc/36/50/67/643365067.db2.gz PBNOIKQGDXEFOL-GFCCVEGCSA-N 0 1 285.334 2.917 20 10 CFCDMN [O-]c1c(C[N@H+]2CCSC[C@@H]2C2CC2)ccc(F)c1F ZINC000877568400 643367962 /nfs/dbraw/zinc/36/79/62/643367962.db2.gz NCFWTCUTGCJGBG-GFCCVEGCSA-N 0 1 285.359 2.998 20 10 CFCDMN COc1cc(CNCc2cc(Cl)c(C)cc2O)on1 ZINC000877635536 643419282 /nfs/dbraw/zinc/41/92/82/643419282.db2.gz VKSHPDQMHNMLHF-UHFFFAOYSA-N 0 1 282.727 2.640 20 10 CFCDMN [O-]c1c(C[NH2+]CC[C@H](O)C(F)F)ccc2ccccc12 ZINC000877676787 643448503 /nfs/dbraw/zinc/44/85/03/643448503.db2.gz GHDAACMGHYULAX-ZDUSSCGKSA-N 0 1 281.302 2.651 20 10 CFCDMN Cc1cccc(CNCc2nn(C)cc2C(F)F)c1O ZINC000877734013 643494308 /nfs/dbraw/zinc/49/43/08/643494308.db2.gz FPTYWGIXZZJESO-UHFFFAOYSA-N 0 1 281.306 2.662 20 10 CFCDMN CCn1ncc(NCc2ccc(F)c(F)c2O)c1C ZINC000877834208 643599733 /nfs/dbraw/zinc/59/97/33/643599733.db2.gz OXYPMWXFXHNLPE-UHFFFAOYSA-N 0 1 267.279 2.807 20 10 CFCDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877836352 643604023 /nfs/dbraw/zinc/60/40/23/643604023.db2.gz VEKZDTFNWZSKAT-NSHDSACASA-N 0 1 269.772 2.638 20 10 CFCDMN O=C1N[C@H](c2ccc(F)c(F)c2O)Nc2ccccc21 ZINC000877843385 643606604 /nfs/dbraw/zinc/60/66/04/643606604.db2.gz LJLPYKOCYNJYHV-CYBMUJFWSA-N 0 1 276.242 2.525 20 10 CFCDMN C[C@@H](NCc1nccn1CC(F)F)c1ccccc1O ZINC000879650358 644364699 /nfs/dbraw/zinc/36/46/99/644364699.db2.gz WQGIXSQGYGUWAJ-SNVBAGLBSA-N 0 1 281.306 2.705 20 10 CFCDMN COc1ccnc(CN[C@@H](C)c2ccccc2O)c1OC ZINC000879650499 644364823 /nfs/dbraw/zinc/36/48/23/644364823.db2.gz DXQMQRRDLMDEHS-NSHDSACASA-N 0 1 288.347 2.655 20 10 CFCDMN C[C@H](NCc1nccs1)c1cc(F)ccc1O ZINC000094617839 650960038 /nfs/dbraw/zinc/96/00/38/650960038.db2.gz FLFBEBIPSUAOFX-QMMMGPOBSA-N 0 1 252.314 2.839 20 10 CFCDMN CO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1C ZINC000252038419 650997870 /nfs/dbraw/zinc/99/78/70/650997870.db2.gz YXRLQMNIESRIDM-MEBBXXQBSA-N 0 1 295.354 2.591 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000883048570 645582461 /nfs/dbraw/zinc/58/24/61/645582461.db2.gz RCNHERCBRXAEHP-LBPRGKRZSA-N 0 1 279.290 2.561 20 10 CFCDMN CC1([NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000131117340 645628974 /nfs/dbraw/zinc/62/89/74/645628974.db2.gz AEDVRQVWQQVOEQ-UHFFFAOYSA-N 0 1 255.745 2.704 20 10 CFCDMN COC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000132138042 645882129 /nfs/dbraw/zinc/88/21/29/645882129.db2.gz VTWFGZBMYFZQCG-UHFFFAOYSA-N 0 1 255.745 2.656 20 10 CFCDMN Cc1cccc(NCC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000133506479 646110800 /nfs/dbraw/zinc/11/08/00/646110800.db2.gz DFOSSWNIXYZRKW-UHFFFAOYSA-N 0 1 291.782 2.951 20 10 CFCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000133976949 646261544 /nfs/dbraw/zinc/26/15/44/646261544.db2.gz IPUDJVPAFGAIQB-AWEZNQCLSA-N 0 1 286.375 2.967 20 10 CFCDMN C[C@@H]([NH2+]CC1(CO)CCCC1)c1cc(F)ccc1[O-] ZINC000135069120 646455012 /nfs/dbraw/zinc/45/50/12/646455012.db2.gz DOPCJWACCMZOHX-LLVKDONJSA-N 0 1 267.344 2.735 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)n[nH]1 ZINC000886551141 647043664 /nfs/dbraw/zinc/04/36/64/647043664.db2.gz CCJBJXJWXIZZMB-MWLCHTKSSA-N 0 1 277.343 2.845 20 10 CFCDMN C[C@@H]1C[C@H](NCCCSc2nccs2)c2ncnn21 ZINC000925102140 648105944 /nfs/dbraw/zinc/10/59/44/648105944.db2.gz LKWDJBFZESLEBU-ZJUUUORDSA-N 0 1 295.437 2.512 20 10 CFCDMN Cc1nonc1[C@@H](C)NCCCSc1nccs1 ZINC000925104506 648106748 /nfs/dbraw/zinc/10/67/48/648106748.db2.gz ZUXFHOUAXPQOSN-MRVPVSSYSA-N 0 1 284.410 2.668 20 10 CFCDMN C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000927075973 648699346 /nfs/dbraw/zinc/69/93/46/648699346.db2.gz ACQZUZBNDBELQT-NSHDSACASA-N 0 1 299.798 2.892 20 10 CFCDMN [NH3+]C[C@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236250756 778753350 /nfs/dbraw/zinc/75/33/50/778753350.db2.gz MEIAKELJXONQOV-SECBINFHSA-N 0 1 275.179 2.622 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@H]1O ZINC001237809013 779719164 /nfs/dbraw/zinc/71/91/64/779719164.db2.gz YNPCWTFKIXWGBK-RNCFNFMXSA-N 0 1 287.762 2.778 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813345 775113303 /nfs/dbraw/zinc/11/33/03/775113303.db2.gz AQWHJNKVNAMHLX-YGRLFVJLSA-N 0 1 267.756 2.656 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813345 775113310 /nfs/dbraw/zinc/11/33/10/775113310.db2.gz AQWHJNKVNAMHLX-YGRLFVJLSA-N 0 1 267.756 2.656 20 10 CFCDMN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000328263533 775735763 /nfs/dbraw/zinc/73/57/63/775735763.db2.gz LVAVEYONNMIDPT-QMTHXVAHSA-N 0 1 269.772 2.686 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310727142 775773437 /nfs/dbraw/zinc/77/34/37/775773437.db2.gz URRGQCWRIFRKIV-SECBINFHSA-N 0 1 263.234 2.916 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001231561677 777259217 /nfs/dbraw/zinc/25/92/17/777259217.db2.gz YHIOKRPVXDRWIN-AAEUAGOBSA-N 0 1 275.348 2.712 20 10 CFCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC001231563448 777261178 /nfs/dbraw/zinc/26/11/78/777261178.db2.gz ACSHPNYGLXOYFG-UHFFFAOYSA-N 0 1 289.356 2.710 20 10 CFCDMN CCOc1ncccc1CN1CCc2cccc(O)c2C1 ZINC001231764965 777329783 /nfs/dbraw/zinc/32/97/83/777329783.db2.gz BYSZCDNUSIUTFY-UHFFFAOYSA-N 0 1 284.359 2.744 20 10 CFCDMN Cc1cc(C)c(CN2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001231842602 777346389 /nfs/dbraw/zinc/34/63/89/777346389.db2.gz PEAOVVWAZVPREL-CYBMUJFWSA-N 0 1 265.328 2.512 20 10 CFCDMN Cc1cc(CN(C)Cc2c(C)cc(C)cc2O)n(C)n1 ZINC001231844154 777347464 /nfs/dbraw/zinc/34/74/64/777347464.db2.gz HQIVSMQZLAKLMU-UHFFFAOYSA-N 0 1 273.380 2.683 20 10 CFCDMN COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001231852810 777351839 /nfs/dbraw/zinc/35/18/39/777351839.db2.gz OKTFBRJSDYZPTH-AEGPPILISA-N 0 1 278.371 2.694 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1Cl ZINC001231868051 777356958 /nfs/dbraw/zinc/35/69/58/777356958.db2.gz PPTNNNADUSEUKK-YMTOWFKASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1Cl ZINC001231868051 777356964 /nfs/dbraw/zinc/35/69/64/777356964.db2.gz PPTNNNADUSEUKK-YMTOWFKASA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1Cl ZINC001231868050 777357061 /nfs/dbraw/zinc/35/70/61/777357061.db2.gz PPTNNNADUSEUKK-OTYXRUKQSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1Cl ZINC001231868050 777357066 /nfs/dbraw/zinc/35/70/66/777357066.db2.gz PPTNNNADUSEUKK-OTYXRUKQSA-N 0 1 269.772 2.557 20 10 CFCDMN Cc1cc(O)c(CN2CC[C@@]23CCOC3)cc1Cl ZINC001231872411 777361093 /nfs/dbraw/zinc/36/10/93/777361093.db2.gz ZBUUPMBCYKRJLZ-AWEZNQCLSA-N 0 1 267.756 2.719 20 10 CFCDMN [O-]c1c(C[N@H+]2CCCC[C@@H]2CO)ccc2ccccc21 ZINC001231878278 777362398 /nfs/dbraw/zinc/36/23/98/777362398.db2.gz GMJAGGJNEBXXMK-OAHLLOKOSA-N 0 1 271.360 2.892 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCC[C@@H]2CO)ccc2ccccc21 ZINC001231878278 777362406 /nfs/dbraw/zinc/36/24/06/777362406.db2.gz GMJAGGJNEBXXMK-OAHLLOKOSA-N 0 1 271.360 2.892 20 10 CFCDMN OC[C@H]1CCC(F)(F)CN1Cc1cccc(Cl)c1O ZINC001231909246 777378564 /nfs/dbraw/zinc/37/85/64/777378564.db2.gz DEMWXXADAFXOSM-SNVBAGLBSA-N 0 1 291.725 2.638 20 10 CFCDMN Cc1cc(CN2CCc3cccc(O)c3C2)cnc1F ZINC001231926259 777385331 /nfs/dbraw/zinc/38/53/31/777385331.db2.gz PHEBMWAOAMMKBP-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN Cc1cc(F)ncc1CN1CCc2cccc(O)c2C1 ZINC001231984257 777401235 /nfs/dbraw/zinc/40/12/35/777401235.db2.gz RHGDTHAYNQBHEC-UHFFFAOYSA-N 0 1 272.323 2.793 20 10 CFCDMN C[C@H]1CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195741 777467780 /nfs/dbraw/zinc/46/77/80/777467780.db2.gz YBCNSVGXJVCMEG-LBPRGKRZSA-N 0 1 280.799 2.771 20 10 CFCDMN [O-]c1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Cl ZINC001232257373 777494850 /nfs/dbraw/zinc/49/48/50/777494850.db2.gz DJPOQDIJUAUVCZ-UHFFFAOYSA-N 0 1 253.729 2.737 20 10 CFCDMN [O-]c1cc(O)c(C[N@H+]2CCC3(CC3)C2)cc1Cl ZINC001232257373 777494857 /nfs/dbraw/zinc/49/48/57/777494857.db2.gz DJPOQDIJUAUVCZ-UHFFFAOYSA-N 0 1 253.729 2.737 20 10 CFCDMN COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC001232263894 777497849 /nfs/dbraw/zinc/49/78/49/777497849.db2.gz FFWOFUQJCVMLKR-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC001232263894 777497852 /nfs/dbraw/zinc/49/78/52/777497852.db2.gz FFWOFUQJCVMLKR-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC001232263894 777497853 /nfs/dbraw/zinc/49/78/53/777497853.db2.gz FFWOFUQJCVMLKR-LLVKDONJSA-N 0 1 285.771 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC001232266183 777499446 /nfs/dbraw/zinc/49/94/46/777499446.db2.gz JTLWFYQAVCKQSI-OAHLLOKOSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC001232266183 777499448 /nfs/dbraw/zinc/49/94/48/777499448.db2.gz JTLWFYQAVCKQSI-OAHLLOKOSA-N 0 1 299.798 2.791 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1Cl ZINC001232266737 777500165 /nfs/dbraw/zinc/50/01/65/777500165.db2.gz RYRDEBKBFSYOHJ-GXFFZTMASA-N 0 1 299.798 2.647 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1Cl ZINC001232266737 777500169 /nfs/dbraw/zinc/50/01/69/777500169.db2.gz RYRDEBKBFSYOHJ-GXFFZTMASA-N 0 1 299.798 2.647 20 10 CFCDMN COC(=O)c1c(CN2CCC[C@H]3C[C@H]32)c2ccccc2n1C ZINC001232403676 777548726 /nfs/dbraw/zinc/54/87/26/777548726.db2.gz AUCLMEUSKJATDB-BLLLJJGKSA-N 0 1 298.386 2.949 20 10 CFCDMN CN(Cc1cn2cc(F)ccc2n1)Cc1ccccc1O ZINC001232417061 777551755 /nfs/dbraw/zinc/55/17/55/777551755.db2.gz JXWJJZXYVAFEJJ-UHFFFAOYSA-N 0 1 285.322 2.811 20 10 CFCDMN C[C@H]1c2cccn2CCN1Cc1ccc(N(C)C)cc1O ZINC001232840435 777690421 /nfs/dbraw/zinc/69/04/21/777690421.db2.gz XGYJCRSATOPVCD-ZDUSSCGKSA-N 0 1 285.391 2.837 20 10 CFCDMN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc(F)c1F ZINC001233077696 777788741 /nfs/dbraw/zinc/78/87/41/777788741.db2.gz SQYOWGGYCVIEPA-ATZCPNFKSA-N 0 1 257.255 2.603 20 10 CFCDMN CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233077992 777789769 /nfs/dbraw/zinc/78/97/69/777789769.db2.gz ZZEIZDVCLKGTDZ-OSMZGAPFSA-N 0 1 297.345 2.917 20 10 CFCDMN Cc1cnc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233078679 777789826 /nfs/dbraw/zinc/78/98/26/777789826.db2.gz DYZKSLZEQBDZQW-UHFFFAOYSA-N 0 1 290.313 2.932 20 10 CFCDMN CC[N@@H+](CCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233077092 777789988 /nfs/dbraw/zinc/78/99/88/777789988.db2.gz DFDMDMLUGJNMML-UHFFFAOYSA-N 0 1 284.350 2.588 20 10 CFCDMN CCN(CC[NH+]1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233077092 777789992 /nfs/dbraw/zinc/78/99/92/777789992.db2.gz DFDMDMLUGJNMML-UHFFFAOYSA-N 0 1 284.350 2.588 20 10 CFCDMN CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1COC1 ZINC001233286344 777867406 /nfs/dbraw/zinc/86/74/06/777867406.db2.gz PLXLPAKTADBNBX-UHFFFAOYSA-N 0 1 263.381 2.910 20 10 CFCDMN CCN(Cc1cc(C(C)(C)C)ccc1O)C1COC1 ZINC001233286344 777867410 /nfs/dbraw/zinc/86/74/10/777867410.db2.gz PLXLPAKTADBNBX-UHFFFAOYSA-N 0 1 263.381 2.910 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c1O ZINC001233288083 777870091 /nfs/dbraw/zinc/87/00/91/777870091.db2.gz VASHECYYYGQRBY-MFKMUULPSA-N 0 1 299.798 2.647 20 10 CFCDMN C[C@]1(CO)CCC[N@@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332204 777887860 /nfs/dbraw/zinc/88/78/60/777887860.db2.gz CDOCNSWKDDLLBZ-HNNXBMFYSA-N 0 1 285.334 2.655 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc(F)c1F)CC1CCOCC1 ZINC001233332521 777891489 /nfs/dbraw/zinc/89/14/89/777891489.db2.gz NWXKYOWGCVTAJL-UHFFFAOYSA-N 0 1 271.307 2.529 20 10 CFCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418638 777942474 /nfs/dbraw/zinc/94/24/74/777942474.db2.gz PEXWNAYCEDBVRV-ONGXEEELSA-N 0 1 289.297 2.756 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCCC[C@H]2CO)cccc1C(F)(F)F ZINC001233415603 777942518 /nfs/dbraw/zinc/94/25/18/777942518.db2.gz CCPDFCFCTVMYFT-NSHDSACASA-N 0 1 289.297 2.758 20 10 CFCDMN CO[C@H](C)C1C[NH+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455493 777959598 /nfs/dbraw/zinc/95/95/98/777959598.db2.gz MVOOCGQVGZWGQX-SECBINFHSA-N 0 1 289.297 2.878 20 10 CFCDMN Oc1cc(O)c(CN2CCC[C@H]2c2ccncc2)cc1O ZINC001233485081 777963632 /nfs/dbraw/zinc/96/36/32/777963632.db2.gz IEYZQRMPEPUGDB-ZDUSSCGKSA-N 0 1 286.331 2.536 20 10 CFCDMN COc1ccc2ccc(O)c(CN3CCOCC34CC4)c2c1 ZINC001234562227 778252787 /nfs/dbraw/zinc/25/27/87/778252787.db2.gz KYZQIQUHVYADON-UHFFFAOYSA-N 0 1 299.370 2.919 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049067 778367310 /nfs/dbraw/zinc/36/73/10/778367310.db2.gz QTCSWYUBUCSFOK-WDEREUQCSA-N 0 1 287.190 2.635 20 10 CFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001142508985 778395744 /nfs/dbraw/zinc/39/57/44/778395744.db2.gz RUEGEPUXZMRPFF-HNNXBMFYSA-N 0 1 283.318 2.815 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@]1(C)O ZINC001142509086 778396083 /nfs/dbraw/zinc/39/60/83/778396083.db2.gz WMLXUMUXOPPASY-BONVTDFDSA-N 0 1 285.334 2.653 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534407 778403802 /nfs/dbraw/zinc/40/38/02/778403802.db2.gz IKKLVMCKLXZHOO-MWLCHTKSSA-N 0 1 271.307 2.670 20 10 CFCDMN CC1(C)C[NH2+]CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001235827481 778571129 /nfs/dbraw/zinc/57/11/29/778571129.db2.gz MNMJQMFORRULEF-UHFFFAOYSA-N 0 1 289.206 2.883 20 10 CFCDMN C[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236053010 778669732 /nfs/dbraw/zinc/66/97/32/778669732.db2.gz XAAMSLIFSCRLCG-PSASIEDQSA-N 0 1 289.206 2.868 20 10 CFCDMN C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])[C@@H](C)C[NH2+]1 ZINC001236079247 778683814 /nfs/dbraw/zinc/68/38/14/778683814.db2.gz OMTVSPVZZGHAON-IUCAKERBSA-N 0 1 289.206 2.881 20 10 CFCDMN CCC[C@@H]1C[NH2+]CCN1Cc1c([O-])ccc(F)c1Cl ZINC001236135683 778709118 /nfs/dbraw/zinc/70/91/18/778709118.db2.gz QFCZHZJWOOGESB-SNVBAGLBSA-N 0 1 286.778 2.759 20 10 CFCDMN CCN(CC[NH2+]C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236145715 778717151 /nfs/dbraw/zinc/71/71/51/778717151.db2.gz IPAGIELVKMBTND-UHFFFAOYSA-N 0 1 277.195 2.740 20 10 CFCDMN CN[C@H]1CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236168962 778723541 /nfs/dbraw/zinc/72/35/41/778723541.db2.gz XQEJPQLKGBXNNX-QGZVFWFLSA-N 0 1 286.350 2.950 20 10 CFCDMN CC(C)N(Cc1c([O-])ccc(F)c1Cl)[C@H]1CC[NH2+]C1 ZINC001236531275 778865445 /nfs/dbraw/zinc/86/54/45/778865445.db2.gz XNYFYCGTPSXDLU-JTQLQIEISA-N 0 1 286.778 2.757 20 10 CFCDMN CCc1ccc(C[N@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001236791485 778937411 /nfs/dbraw/zinc/93/74/11/778937411.db2.gz HRUWSEUAKIDKIQ-MRXNPFEDSA-N 0 1 261.365 2.710 20 10 CFCDMN CCc1ccc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)c(O)c1 ZINC001236791757 778937433 /nfs/dbraw/zinc/93/74/33/778937433.db2.gz KEGOTZSZFPJCPM-CQSZACIVSA-N 0 1 287.363 2.636 20 10 CFCDMN CCc1ccc(CN2CCc3ccncc3C2)c(O)c1 ZINC001236793954 778938475 /nfs/dbraw/zinc/93/84/75/778938475.db2.gz 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ZINC001137837923 781143223 /nfs/dbraw/zinc/14/32/23/781143223.db2.gz ZGVOIICMGRXHIF-UHFFFAOYSA-N 0 1 253.317 2.532 20 10 CFCDMN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839129 781169819 /nfs/dbraw/zinc/16/98/19/781169819.db2.gz SLTFCTSNYZCTQU-GFCCVEGCSA-N 0 1 295.354 2.697 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000706854200 781206198 /nfs/dbraw/zinc/20/61/98/781206198.db2.gz VGMKJBAUSOFOGG-SNVBAGLBSA-N 0 1 298.180 2.937 20 10 CFCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000706854198 781206244 /nfs/dbraw/zinc/20/62/44/781206244.db2.gz VGMKJBAUSOFOGG-JTQLQIEISA-N 0 1 298.180 2.937 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000708434749 781274859 /nfs/dbraw/zinc/27/48/59/781274859.db2.gz SOWNNPQEUZYSRV-UHFFFAOYSA-N 0 1 283.318 2.673 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000708424079 781275333 /nfs/dbraw/zinc/27/53/33/781275333.db2.gz VZDIXLDMUBFWII-LBPRGKRZSA-N 0 1 271.307 2.671 20 10 CFCDMN CCn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000711229986 781398203 /nfs/dbraw/zinc/39/82/03/781398203.db2.gz KDNYUDQPWWPXAA-UHFFFAOYSA-N 0 1 265.744 2.552 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000711548795 781455197 /nfs/dbraw/zinc/45/51/97/781455197.db2.gz MQJJTACQJDNAAS-TXEJJXNPSA-N 0 1 295.379 2.529 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000711548795 781455202 /nfs/dbraw/zinc/45/52/02/781455202.db2.gz MQJJTACQJDNAAS-TXEJJXNPSA-N 0 1 295.379 2.529 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000711548795 781455206 /nfs/dbraw/zinc/45/52/06/781455206.db2.gz MQJJTACQJDNAAS-TXEJJXNPSA-N 0 1 295.379 2.529 20 10 CFCDMN Oc1ccccc1CN(Cc1ccno1)C[C@@H]1CCCO1 ZINC000070976514 346918874 /nfs/dbraw/zinc/91/88/74/346918874.db2.gz IWKDNMQRULOGIS-AWEZNQCLSA-N 0 1 288.347 2.561 20 10 CFCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H](CO)c1ccccc1 ZINC000295102618 199346026 /nfs/dbraw/zinc/34/60/26/199346026.db2.gz SZSXUHVVHDJFKQ-OAHLLOKOSA-N 0 1 275.323 2.697 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294792455 199184380 /nfs/dbraw/zinc/18/43/80/199184380.db2.gz VIIBSPABRIELNE-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN CCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000297472152 200202953 /nfs/dbraw/zinc/20/29/53/200202953.db2.gz SNUYSWHFZXRCRQ-UHFFFAOYSA-N 0 1 280.324 2.541 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000127719806 377300121 /nfs/dbraw/zinc/30/01/21/377300121.db2.gz RDPQMNQEQLGGIK-QWRGUYRKSA-N 0 1 269.772 2.781 20 10 CFCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000127719806 377300124 /nfs/dbraw/zinc/30/01/24/377300124.db2.gz RDPQMNQEQLGGIK-QWRGUYRKSA-N 0 1 269.772 2.781 20 10 CFCDMN COCCC[N@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000133095128 377903765 /nfs/dbraw/zinc/90/37/65/377903765.db2.gz PEPLJYVTAQHERU-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN COCCC[N@@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000133095128 377903771 /nfs/dbraw/zinc/90/37/71/377903771.db2.gz PEPLJYVTAQHERU-UHFFFAOYSA-N 0 1 287.787 2.531 20 10 CFCDMN CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134904629 378062618 /nfs/dbraw/zinc/06/26/18/378062618.db2.gz UNGABEZKJLCEPH-PSASIEDQSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)O)c1ccc(Br)cc1[O-] ZINC000134920195 378063973 /nfs/dbraw/zinc/06/39/73/378063973.db2.gz APAINAFKAWNZGI-QMMMGPOBSA-N 0 1 288.185 2.576 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000177372767 380336331 /nfs/dbraw/zinc/33/63/31/380336331.db2.gz CWXUZPICYLZABI-NSHDSACASA-N 0 1 297.782 2.717 20 10 CFCDMN COC[C@H](NCc1ccccc1O)c1ccc(C)o1 ZINC000177566173 380354878 /nfs/dbraw/zinc/35/48/78/380354878.db2.gz BTRMCBCAKWYVKX-ZDUSSCGKSA-N 0 1 261.321 2.771 20 10 CFCDMN Oc1cccc([C@@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000179576241 380560474 /nfs/dbraw/zinc/56/04/74/380560474.db2.gz FNRZSAZUWFUTQB-KRWDZBQOSA-N 0 1 285.343 2.671 20 10 CFCDMN COCCN(Cc1ccco1)Cc1cccc(C)c1O ZINC000179739773 380576247 /nfs/dbraw/zinc/57/62/47/380576247.db2.gz UTBLPESKDFOEJI-UHFFFAOYSA-N 0 1 275.348 2.942 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2cnc(C)s2)c1 ZINC000179790508 380580063 /nfs/dbraw/zinc/58/00/63/380580063.db2.gz IXBQOUQYKBNIKN-UHFFFAOYSA-N 0 1 278.377 2.798 20 10 CFCDMN COCCN(Cc1cccc(Cl)c1O)CC(F)F ZINC000180014036 380608844 /nfs/dbraw/zinc/60/88/44/380608844.db2.gz CQGBABMGDCZTAP-UHFFFAOYSA-N 0 1 279.714 2.759 20 10 CFCDMN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@H](C)C2)c1O ZINC000180028189 380610985 /nfs/dbraw/zinc/61/09/85/380610985.db2.gz RLJDBGDMADULSF-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN CCOc1cccc(CN(C)Cc2cccnc2)c1O ZINC000182028631 380969237 /nfs/dbraw/zinc/96/92/37/380969237.db2.gz MFFDVERVUWPBFL-UHFFFAOYSA-N 0 1 272.348 2.818 20 10 CFCDMN C[C@@H](CF)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000288465066 381013273 /nfs/dbraw/zinc/01/32/73/381013273.db2.gz OJYKWZQNMZGYPJ-ZETCQYMHSA-N 0 1 262.122 2.602 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CCC[C@](C)(F)C2)cc1OC ZINC000296091269 381251138 /nfs/dbraw/zinc/25/11/38/381251138.db2.gz REEDAGOJYXAMEZ-HNNXBMFYSA-N 0 1 283.343 2.733 20 10 CFCDMN COc1cc(O)c(CN2CCC[C@](C)(F)C2)cc1OC ZINC000296091269 381251142 /nfs/dbraw/zinc/25/11/42/381251142.db2.gz REEDAGOJYXAMEZ-HNNXBMFYSA-N 0 1 283.343 2.733 20 10 CFCDMN CC(C)c1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000296310801 381342850 /nfs/dbraw/zinc/34/28/50/381342850.db2.gz GHMGBYOTQADCRI-LBPRGKRZSA-N 0 1 287.411 2.845 20 10 CFCDMN Cc1ccc(O)c(CN[C@@H](CCO)c2ccco2)c1 ZINC000184506263 381424935 /nfs/dbraw/zinc/42/49/35/381424935.db2.gz STPBBTZJCOHZTH-ZDUSSCGKSA-N 0 1 261.321 2.507 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](CCO)c2ccco2)cc1 ZINC000184513085 381427086 /nfs/dbraw/zinc/42/70/86/381427086.db2.gz TVJBJKFVRUTPHM-HNNXBMFYSA-N 0 1 274.364 2.559 20 10 CFCDMN CCN(C)c1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000296551355 381445481 /nfs/dbraw/zinc/44/54/81/381445481.db2.gz RNIPJLISMJDUEK-GFCCVEGCSA-N 0 1 299.422 2.989 20 10 CFCDMN COc1cc(Cl)cc(CN2CCCO[C@H](C)C2)c1O ZINC000184687875 381460395 /nfs/dbraw/zinc/46/03/95/381460395.db2.gz AHHHNTUTVWWWMQ-SNVBAGLBSA-N 0 1 285.771 2.665 20 10 CFCDMN C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000184897363 381493591 /nfs/dbraw/zinc/49/35/91/381493591.db2.gz FXVXUEHGBVQKSH-SNVBAGLBSA-N 0 1 268.788 2.790 20 10 CFCDMN Cc1cc(C)c([C@@H](C)NCc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000296661261 381495760 /nfs/dbraw/zinc/49/57/60/381495760.db2.gz ZTWMUOHGCQAUAT-LLVKDONJSA-N 0 1 286.379 2.855 20 10 CFCDMN COCc1nc(CN[C@H]2CCc3cccc(O)c32)cs1 ZINC000297217584 381553907 /nfs/dbraw/zinc/55/39/07/381553907.db2.gz HBHXNFQZSZOFHH-LBPRGKRZSA-N 0 1 290.388 2.772 20 10 CFCDMN CN1CC[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000359909369 381673041 /nfs/dbraw/zinc/67/30/41/381673041.db2.gz YXXNKVGQUCWZQB-SMDDNHRTSA-N 0 1 280.799 2.572 20 10 CFCDMN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185510655 381653461 /nfs/dbraw/zinc/65/34/61/381653461.db2.gz UPLWDKWLHJKQJT-IGJMFERPSA-N 0 1 289.828 2.809 20 10 CFCDMN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185656734 381696155 /nfs/dbraw/zinc/69/61/55/381696155.db2.gz GCTOQFGOSJDYDU-JOYOIKCWSA-N 0 1 257.761 2.713 20 10 CFCDMN CCC(CC)(CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186170795 381842004 /nfs/dbraw/zinc/84/20/04/381842004.db2.gz QTNHMALCVAFUJK-LLVKDONJSA-N 0 1 269.360 2.981 20 10 CFCDMN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc2ccccc2c1[O-] ZINC000186211827 381854298 /nfs/dbraw/zinc/85/42/98/381854298.db2.gz CIXQZBGNRSPKCE-GFCCVEGCSA-N 0 1 287.359 2.959 20 10 CFCDMN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc2ccccc2c1[O-] ZINC000186505352 381929670 /nfs/dbraw/zinc/92/96/70/381929670.db2.gz WEQUVSYAFJTZCZ-GFCCVEGCSA-N 0 1 298.386 2.722 20 10 CFCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373491821 382017144 /nfs/dbraw/zinc/01/71/44/382017144.db2.gz YSFYZIDFVNEUQM-DGCLKSJQSA-N 0 1 285.746 2.938 20 10 CFCDMN Cc1nccc(CN2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000376020938 382117211 /nfs/dbraw/zinc/11/72/11/382117211.db2.gz YEGWVWGXAJIENP-UHFFFAOYSA-N 0 1 294.402 2.750 20 10 CFCDMN Cc1cc(O)c(CN2CCO[C@@H](COC(C)C)C2)cc1C ZINC000364226334 382286027 /nfs/dbraw/zinc/28/60/27/382286027.db2.gz ZHRHXIUAHNAGEB-MRXNPFEDSA-N 0 1 293.407 2.635 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000377357838 382257246 /nfs/dbraw/zinc/25/72/46/382257246.db2.gz KMPHKGLFMAFFGG-DGCLKSJQSA-N 0 1 285.746 2.938 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000377357837 382257365 /nfs/dbraw/zinc/25/73/65/382257365.db2.gz KMPHKGLFMAFFGG-AAEUAGOBSA-N 0 1 285.746 2.938 20 10 CFCDMN COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000364627121 382341105 /nfs/dbraw/zinc/34/11/05/382341105.db2.gz BZPKTZCQURCIHX-BDJLRTHQSA-N 0 1 277.364 2.573 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N2CCO[C@@H](C3CC3)C2)c1 ZINC000364627121 382341110 /nfs/dbraw/zinc/34/11/10/382341110.db2.gz BZPKTZCQURCIHX-BDJLRTHQSA-N 0 1 277.364 2.573 20 10 CFCDMN Cc1cn2c(n1)CN(Cc1c(O)ccc(Cl)c1F)CC2 ZINC000365272061 382370541 /nfs/dbraw/zinc/37/05/41/382370541.db2.gz WZPXYEAFYOTBPA-UHFFFAOYSA-N 0 1 295.745 2.705 20 10 CFCDMN CCOc1cccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295234521 382595456 /nfs/dbraw/zinc/59/54/56/382595456.db2.gz OHNZHTCVBNRCNS-AWEZNQCLSA-N 0 1 293.407 2.774 20 10 CFCDMN C[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1[O-] ZINC000190648497 382676470 /nfs/dbraw/zinc/67/64/70/382676470.db2.gz SQDMRVKPEVTNSJ-JTQLQIEISA-N 0 1 285.771 2.849 20 10 CFCDMN CN(C)c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281328508 385189476 /nfs/dbraw/zinc/18/94/76/385189476.db2.gz YMKGCISFHHINHC-CVEARBPZSA-N 0 1 260.381 2.506 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000271008254 385300560 /nfs/dbraw/zinc/30/05/60/385300560.db2.gz OLHAOZOZCUCCNB-SNVBAGLBSA-N 0 1 276.163 2.656 20 10 CFCDMN CCOC[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271169462 385361064 /nfs/dbraw/zinc/36/10/64/385361064.db2.gz DDHRDTIZZTTWTR-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271169462 385361068 /nfs/dbraw/zinc/36/10/68/385361068.db2.gz DDHRDTIZZTTWTR-NSHDSACASA-N 0 1 269.772 2.904 20 10 CFCDMN CC[C@@H](NCc1nccn1CC)c1ccccc1O ZINC000271649750 385388223 /nfs/dbraw/zinc/38/82/23/385388223.db2.gz AYZISPRZTYEMKT-CYBMUJFWSA-N 0 1 259.353 2.850 20 10 CFCDMN CC(C)[C@@H](O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000272088469 385444282 /nfs/dbraw/zinc/44/42/82/385444282.db2.gz SKKJBKYBMOFWRF-CQSZACIVSA-N 0 1 283.799 2.932 20 10 CFCDMN Cc1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)[nH]n1 ZINC000283108022 385437700 /nfs/dbraw/zinc/43/77/00/385437700.db2.gz UGBGZVSSIOJSKN-LBPRGKRZSA-N 0 1 289.354 2.942 20 10 CFCDMN Cc1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n[nH]1 ZINC000283108022 385437706 /nfs/dbraw/zinc/43/77/06/385437706.db2.gz UGBGZVSSIOJSKN-LBPRGKRZSA-N 0 1 289.354 2.942 20 10 CFCDMN Cc1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n[nH]1 ZINC000283108022 385437710 /nfs/dbraw/zinc/43/77/10/385437710.db2.gz UGBGZVSSIOJSKN-LBPRGKRZSA-N 0 1 289.354 2.942 20 10 CFCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n(C)n1 ZINC000284242434 385546832 /nfs/dbraw/zinc/54/68/32/385546832.db2.gz IEJZOSMPLYASMA-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000273426603 385682555 /nfs/dbraw/zinc/68/25/55/385682555.db2.gz UHSLSUQPBLBSFJ-ZJUUUORDSA-N 0 1 255.745 2.733 20 10 CFCDMN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000273591886 385689239 /nfs/dbraw/zinc/68/92/39/385689239.db2.gz PJWRRCHYQSZBRH-JTQLQIEISA-N 0 1 296.798 2.742 20 10 CFCDMN CCN(CC)c1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000120133339 393930191 /nfs/dbraw/zinc/93/01/91/393930191.db2.gz KNTYMHHLAVMGFL-UHFFFAOYSA-N 0 1 286.423 2.898 20 10 CFCDMN CC[C@H](c1ccccc1O)N1CC(n2cc(C)cn2)C1 ZINC000364489922 394220130 /nfs/dbraw/zinc/22/01/30/394220130.db2.gz YYBRJJPZJOMXJN-OAHLLOKOSA-N 0 1 271.364 2.905 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035601262 172290383 /nfs/dbraw/zinc/29/03/83/172290383.db2.gz DFEIAQRBBIRJIC-HNNXBMFYSA-N 0 1 277.751 2.869 20 10 CFCDMN C[C@@H]1CCOCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000368595710 267190378 /nfs/dbraw/zinc/19/03/78/267190378.db2.gz YDVFWEUYWAEAKX-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@@H]1CCOCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000368595710 267190379 /nfs/dbraw/zinc/19/03/79/267190379.db2.gz YDVFWEUYWAEAKX-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN Oc1ccccc1CN1CCOc2c(F)cccc2C1 ZINC000369406589 267240307 /nfs/dbraw/zinc/24/03/07/267240307.db2.gz BIGLRWFZROJZLW-UHFFFAOYSA-N 0 1 273.307 2.926 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000365841128 274090062 /nfs/dbraw/zinc/09/00/62/274090062.db2.gz USFQCTPVMPYVRT-UHFFFAOYSA-N 0 1 292.335 2.828 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278334936 274090208 /nfs/dbraw/zinc/09/02/08/274090208.db2.gz ZTQWVKYLHXEYFM-MNOVXSKESA-N 0 1 294.351 2.929 20 10 CFCDMN CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134904765 287876778 /nfs/dbraw/zinc/87/67/78/287876778.db2.gz BCYUYHDXAMCGJO-WCBMZHEXSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@H+](C2CC2)C1 ZINC000295602510 297031692 /nfs/dbraw/zinc/03/16/92/297031692.db2.gz DASHLKNORFYOTL-GFCCVEGCSA-N 0 1 294.826 2.962 20 10 CFCDMN C[C@H]1CN(C2CC2)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295602510 297031694 /nfs/dbraw/zinc/03/16/94/297031694.db2.gz DASHLKNORFYOTL-GFCCVEGCSA-N 0 1 294.826 2.962 20 10 CFCDMN C[C@H]1CN(C2CC2)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295602510 297031696 /nfs/dbraw/zinc/03/16/96/297031696.db2.gz DASHLKNORFYOTL-GFCCVEGCSA-N 0 1 294.826 2.962 20 10 CFCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CN(C)C ZINC000293383027 298778990 /nfs/dbraw/zinc/77/89/90/298778990.db2.gz IKTOCZBVSOVALZ-ZJUUUORDSA-N 0 1 272.339 2.519 20 10 CFCDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527802680 330284235 /nfs/dbraw/zinc/28/42/35/330284235.db2.gz AXCAPRNCZXWNCY-QOBXEIRBSA-N 0 1 269.772 2.947 20 10 CFCDMN C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(Cl)cc1[O-] ZINC000527984230 330298640 /nfs/dbraw/zinc/29/86/40/330298640.db2.gz XGHJHRBYOGJHKB-IPWFMCSPSA-N 0 1 267.756 2.875 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC000275822598 520483202 /nfs/dbraw/zinc/48/32/02/520483202.db2.gz FFSSFUJSXDFACK-GFCCVEGCSA-N 0 1 269.772 2.638 20 10 CFCDMN CN(Cc1ccccc1O)Cc1cc(CO)ccc1F ZINC000528420476 517936107 /nfs/dbraw/zinc/93/61/07/517936107.db2.gz VDEWDPSQLPXGBX-UHFFFAOYSA-N 0 1 275.323 2.656 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000221204930 518279097 /nfs/dbraw/zinc/27/90/97/518279097.db2.gz ZCCTUXJNEBPBMJ-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000221204930 518279100 /nfs/dbraw/zinc/27/91/00/518279100.db2.gz ZCCTUXJNEBPBMJ-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H](C)OC ZINC000291158024 521293449 /nfs/dbraw/zinc/29/34/49/521293449.db2.gz FNVHIEXNWVDNMU-JTQLQIEISA-N 0 1 283.343 2.591 20 10 CFCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H](C)OC ZINC000291158024 521293455 /nfs/dbraw/zinc/29/34/55/521293455.db2.gz FNVHIEXNWVDNMU-JTQLQIEISA-N 0 1 283.343 2.591 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278334945 521868129 /nfs/dbraw/zinc/86/81/29/521868129.db2.gz ZTQWVKYLHXEYFM-WDEREUQCSA-N 0 1 294.351 2.929 20 10 CFCDMN COc1cc(Cl)cc(CNCc2c(C)noc2C)c1O ZINC000228672225 522541623 /nfs/dbraw/zinc/54/16/23/522541623.db2.gz JDYAJVUECNUKDH-UHFFFAOYSA-N 0 1 296.754 2.949 20 10 CFCDMN CC[C@H](N[C@@H](C)c1nncn1C)c1ccc(C)cc1O ZINC000280239028 522701827 /nfs/dbraw/zinc/70/18/27/522701827.db2.gz VTQIKAMZLQOQRW-AAEUAGOBSA-N 0 1 274.368 2.631 20 10 CFCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Cn1ccnc1 ZINC000264983833 524487464 /nfs/dbraw/zinc/48/74/64/524487464.db2.gz VEGAMHRMOLFCSA-LLVKDONJSA-N 0 1 279.771 2.668 20 10 CFCDMN COc1ncccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000289940643 525045981 /nfs/dbraw/zinc/04/59/81/525045981.db2.gz WVCFRABFWHAIAB-UHFFFAOYSA-N 0 1 292.766 2.782 20 10 CFCDMN C[C@@H]([NH2+]CC[C@H](C)O)c1ccc2ccccc2c1[O-] ZINC000085982619 525457602 /nfs/dbraw/zinc/45/76/02/525457602.db2.gz IKJZSEWBPHEIDZ-NWDGAFQWSA-N 0 1 259.349 2.967 20 10 CFCDMN CSC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076769233 525631944 /nfs/dbraw/zinc/63/19/44/525631944.db2.gz RBLYQCNXGNGSNZ-MRVPVSSYSA-N 0 1 290.226 2.996 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCSC1 ZINC000230704921 526340807 /nfs/dbraw/zinc/34/08/07/526340807.db2.gz DGUHRRAZUVHRPG-SNVBAGLBSA-N 0 1 288.210 2.750 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365846138 526347118 /nfs/dbraw/zinc/34/71/18/526347118.db2.gz GSVRDWNWSPXRQE-CYBMUJFWSA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365846138 526347124 /nfs/dbraw/zinc/34/71/24/526347124.db2.gz GSVRDWNWSPXRQE-CYBMUJFWSA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291211261 526362242 /nfs/dbraw/zinc/36/22/42/526362242.db2.gz IPAQBOSYLHDZQV-NSHDSACASA-N 0 1 277.755 2.689 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291211261 526362246 /nfs/dbraw/zinc/36/22/46/526362246.db2.gz IPAQBOSYLHDZQV-NSHDSACASA-N 0 1 277.755 2.689 20 10 CFCDMN Cc1nnc(NCc2cc(Cl)cc(Cl)c2O)n1C ZINC000162024875 526371593 /nfs/dbraw/zinc/37/15/93/526371593.db2.gz ISTGQSFDSHYJTB-UHFFFAOYSA-N 0 1 287.150 2.748 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000754567365 574103806 /nfs/dbraw/zinc/10/38/06/574103806.db2.gz PXRMRBRBTCDHCR-ZYHUDNBSSA-N 0 1 295.354 2.639 20 10 CFCDMN CCCNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847319 574130328 /nfs/dbraw/zinc/13/03/28/574130328.db2.gz IPHFSFPYXWDCGX-UHFFFAOYSA-N 0 1 290.407 2.663 20 10 CFCDMN CN(C)c1ccc(C[N@@H+](CCCC(=O)[O-])C2CC2)cc1 ZINC000737379745 574138027 /nfs/dbraw/zinc/13/80/27/574138027.db2.gz YPURGCBUWIFQJR-UHFFFAOYSA-N 0 1 276.380 2.582 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C ZINC000738464016 574170151 /nfs/dbraw/zinc/17/01/51/574170151.db2.gz VOJUHMDHWQTRSO-CQSZACIVSA-N 0 1 277.364 2.838 20 10 CFCDMN C[C@H](NCc1cc[nH]n1)c1cc2c(cc1O)CCCC2 ZINC000756555466 574247345 /nfs/dbraw/zinc/24/73/45/574247345.db2.gz VMTKTWZKFWPLMV-NSHDSACASA-N 0 1 271.364 2.845 20 10 CFCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000756561418 574247825 /nfs/dbraw/zinc/24/78/25/574247825.db2.gz CCOBLRJNJAKAOC-VXGBXAGGSA-N 0 1 299.798 2.749 20 10 CFCDMN CCc1nncn1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756621803 574252680 /nfs/dbraw/zinc/25/26/80/574252680.db2.gz SOFDXQZIIWPJNO-SNVBAGLBSA-N 0 1 294.786 2.550 20 10 CFCDMN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756734228 574260108 /nfs/dbraw/zinc/26/01/08/574260108.db2.gz UZCTWXMFAOHUII-GHMZBOCLSA-N 0 1 287.787 2.748 20 10 CFCDMN C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756741189 574260651 /nfs/dbraw/zinc/26/06/51/574260651.db2.gz VZAZIFLJFISLCL-TVQRCGJNSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[S@@](C)=O ZINC000756756891 574260762 /nfs/dbraw/zinc/26/07/62/574260762.db2.gz AKERCOVJVJJDPX-AUSHCKSDSA-N 0 1 289.828 2.853 20 10 CFCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC000756763966 574261241 /nfs/dbraw/zinc/26/12/41/574261241.db2.gz CDYBGQMBXPRFEE-SCZZXKLOSA-N 0 1 295.333 2.984 20 10 CFCDMN C[C@@H](NCc1ccn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000756780177 574262313 /nfs/dbraw/zinc/26/23/13/574262313.db2.gz WBPCSRXLMOXHPA-GFCCVEGCSA-N 0 1 285.391 2.855 20 10 CFCDMN CCN(C)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000741754050 574300874 /nfs/dbraw/zinc/30/08/74/574300874.db2.gz GUPAFAIFUDKUFH-UHFFFAOYSA-N 0 1 262.397 2.754 20 10 CFCDMN CN(C)c1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000734847784 574304124 /nfs/dbraw/zinc/30/41/24/574304124.db2.gz UROKQJSDESYFMJ-KRWDZBQOSA-N 0 1 288.366 2.715 20 10 CFCDMN CN(C)c1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000734850908 574304753 /nfs/dbraw/zinc/30/47/53/574304753.db2.gz QQKXUSUJYZQANK-QGZVFWFLSA-N 0 1 288.366 2.715 20 10 CFCDMN Cc1ccc(F)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000734981649 574308773 /nfs/dbraw/zinc/30/87/73/574308773.db2.gz SMYSDYPELUUUGI-GXDHUFHOSA-N 0 1 296.301 2.596 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1C(C)C ZINC000832899678 601371341 /nfs/dbraw/zinc/37/13/41/601371341.db2.gz QJBFPXBVSLAKKP-INIZCTEOSA-N 0 1 295.354 2.823 20 10 CFCDMN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1O ZINC000830860741 601825573 /nfs/dbraw/zinc/82/55/73/601825573.db2.gz WCDIJKMVOULAQP-UHFFFAOYSA-N 0 1 277.345 2.784 20 10 CFCDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000833772410 604529822 /nfs/dbraw/zinc/52/98/22/604529822.db2.gz DBRPYXNFEZHDAN-MRXNPFEDSA-N 0 1 288.391 2.726 20 10 CFCDMN O=C([O-])NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834222219 605556948 /nfs/dbraw/zinc/55/69/48/605556948.db2.gz XVOHOMXPGUVYEH-SNVBAGLBSA-N 0 1 298.770 2.525 20 10 CFCDMN C[N@H+](CC(=O)NCc1cccc(Cl)c1[O-])CC(C)(C)C ZINC000890760837 617838447 /nfs/dbraw/zinc/83/84/47/617838447.db2.gz AMMCKXURTGBKBE-UHFFFAOYSA-N 0 1 298.814 2.640 20 10 CFCDMN C[N@@H+](CC(=O)NCc1cccc(Cl)c1[O-])CC(C)(C)C ZINC000890760837 617838449 /nfs/dbraw/zinc/83/84/49/617838449.db2.gz AMMCKXURTGBKBE-UHFFFAOYSA-N 0 1 298.814 2.640 20 10 CFCDMN COc1cc(C)cc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000777965818 617725188 /nfs/dbraw/zinc/72/51/88/617725188.db2.gz GBBVURAKFGGIAB-WCQYABFASA-N 0 1 267.344 2.889 20 10 CFCDMN COc1cccc(CN2CCc3nc[nH]c3C23CCC3)c1O ZINC000895068279 618253361 /nfs/dbraw/zinc/25/33/61/618253361.db2.gz QUZRUZLJDLQICW-UHFFFAOYSA-N 0 1 299.374 2.561 20 10 CFCDMN COCC(C)(C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000310208859 618272471 /nfs/dbraw/zinc/27/24/71/618272471.db2.gz DLXXSRLPFAOSHI-UHFFFAOYSA-N 0 1 257.761 2.902 20 10 CFCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000310208859 618272475 /nfs/dbraw/zinc/27/24/75/618272475.db2.gz DLXXSRLPFAOSHI-UHFFFAOYSA-N 0 1 257.761 2.902 20 10 CFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000894088988 618317104 /nfs/dbraw/zinc/31/71/04/618317104.db2.gz NPURFAAANYOGBR-HZMBPMFUSA-N 0 1 283.318 2.671 20 10 CFCDMN CC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000895127692 618345254 /nfs/dbraw/zinc/34/52/54/618345254.db2.gz NWBFCAHWIUBZJT-JTQLQIEISA-N 0 1 285.771 2.643 20 10 CFCDMN Cc1ncoc1CNCc1cc(Cl)ccc1O ZINC000895141296 618374071 /nfs/dbraw/zinc/37/40/71/618374071.db2.gz XDTWJPIDILHNBV-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN Cc1ncoc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000895141296 618374075 /nfs/dbraw/zinc/37/40/75/618374075.db2.gz XDTWJPIDILHNBV-UHFFFAOYSA-N 0 1 252.701 2.632 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000895155863 618403118 /nfs/dbraw/zinc/40/31/18/618403118.db2.gz PRZFCMVKJROSAY-UNPMEBSKSA-N 0 1 293.794 2.949 20 10 CFCDMN CCOc1ccc(CNCc2ccc(OC)cc2O)o1 ZINC000894184920 618432824 /nfs/dbraw/zinc/43/28/24/618432824.db2.gz HLPTWOJHZZYRSU-UHFFFAOYSA-N 0 1 277.320 2.682 20 10 CFCDMN COc1cc(C)cc(CNCc2nccn2C(F)F)c1O ZINC000894206645 618468157 /nfs/dbraw/zinc/46/81/57/618468157.db2.gz IFZXUQMTOVWMDX-UHFFFAOYSA-N 0 1 297.305 2.591 20 10 CFCDMN CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887940 618697215 /nfs/dbraw/zinc/69/72/15/618697215.db2.gz RACPVJNNBODXBU-MNOVXSKESA-N 0 1 298.814 2.747 20 10 CFCDMN CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887942 618697430 /nfs/dbraw/zinc/69/74/30/618697430.db2.gz RACPVJNNBODXBU-WDEREUQCSA-N 0 1 298.814 2.747 20 10 CFCDMN CN(Cc1ccccc1O)C(=O)c1cccc2c[nH]nc21 ZINC000053915614 619078696 /nfs/dbraw/zinc/07/86/96/619078696.db2.gz CWRGKXLDQHXQRX-UHFFFAOYSA-N 0 1 281.315 2.541 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOC(C)C)c(Cl)c1 ZINC000840940228 619084601 /nfs/dbraw/zinc/08/46/01/619084601.db2.gz XDIIZAXKIFMNAV-UHFFFAOYSA-N 0 1 257.761 2.869 20 10 CFCDMN COC(=O)c1c(CN2CCCC2)c2cc(F)ccc2n1C ZINC000893870747 619232689 /nfs/dbraw/zinc/23/26/89/619232689.db2.gz GEAIBLOQVVUHDX-UHFFFAOYSA-N 0 1 290.338 2.700 20 10 CFCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@H](C)[C@H](C)O1 ZINC000894535490 619412462 /nfs/dbraw/zinc/41/24/62/619412462.db2.gz UNBXRLCDVFNWPF-BBBLOLIVSA-N 0 1 271.307 2.668 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894745137 619454314 /nfs/dbraw/zinc/45/43/14/619454314.db2.gz AAUIADIDTOMQNZ-PYJLPLTJSA-N 0 1 295.329 2.526 20 10 CFCDMN COc1cc(C)cc(CN[C@@H](C)c2nccnc2C)c1O ZINC000895477230 619538668 /nfs/dbraw/zinc/53/86/68/619538668.db2.gz SMDZXWGGZYTNKD-LBPRGKRZSA-N 0 1 287.363 2.658 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000895571914 619556783 /nfs/dbraw/zinc/55/67/83/619556783.db2.gz BWSBKALSOMWRMP-MRVPVSSYSA-N 0 1 261.699 2.976 20 10 CFCDMN COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccccc1O)C2 ZINC000895601219 619564224 /nfs/dbraw/zinc/56/42/24/619564224.db2.gz MCGXRZKEPHQNMV-UHFFFAOYSA-N 0 1 297.354 2.737 20 10 CFCDMN Oc1ccc(F)cc1CNCc1cc(C2CC2)no1 ZINC000895765814 619598704 /nfs/dbraw/zinc/59/87/04/619598704.db2.gz QPHHCGXHUHQLRC-UHFFFAOYSA-N 0 1 262.284 2.687 20 10 CFCDMN Cc1cccc(O)c1CNCc1nc(CN(C)C)cs1 ZINC000896310475 619715597 /nfs/dbraw/zinc/71/55/97/619715597.db2.gz CZXORBLROOLECI-UHFFFAOYSA-N 0 1 291.420 2.509 20 10 CFCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000896962677 619905391 /nfs/dbraw/zinc/90/53/91/619905391.db2.gz QAPHOHMNLLRTQJ-CQSZACIVSA-N 0 1 299.370 2.930 20 10 CFCDMN Cc1cccc(CNCc2nc3c(s2)COCC3)c1O ZINC000897238849 619957068 /nfs/dbraw/zinc/95/70/68/619957068.db2.gz YNMZDPQVCWZUQF-UHFFFAOYSA-N 0 1 290.388 2.520 20 10 CFCDMN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841749065 620211888 /nfs/dbraw/zinc/21/18/88/620211888.db2.gz NBNOGBBZQKIYSJ-JTQLQIEISA-N 0 1 296.798 2.755 20 10 CFCDMN C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841756844 620251549 /nfs/dbraw/zinc/25/15/49/620251549.db2.gz KTGFSIBLNUVZBO-XPTSAGLGSA-N 0 1 269.772 2.857 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C2CC2)c(Cl)c1 ZINC000898197083 620352809 /nfs/dbraw/zinc/35/28/09/620352809.db2.gz CVJSJVRYSHJLDL-ZDUSSCGKSA-N 0 1 269.772 2.605 20 10 CFCDMN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000322532960 620384759 /nfs/dbraw/zinc/38/47/59/620384759.db2.gz QNLCFIHQAJWISZ-RYUDHWBXSA-N 0 1 286.375 2.721 20 10 CFCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cn(C)cn1 ZINC000924646866 620431995 /nfs/dbraw/zinc/43/19/95/620431995.db2.gz CTTXGUXHVIGISZ-CQSZACIVSA-N 0 1 284.407 2.871 20 10 CFCDMN CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000927082560 620450132 /nfs/dbraw/zinc/45/01/32/620450132.db2.gz XPQMXKLOBBXFSR-OCCSQVGLSA-N 0 1 299.798 2.892 20 10 CFCDMN COc1cc(CN2CCOC[C@H]2CC2CC2)c(O)cc1C ZINC000902540783 621114075 /nfs/dbraw/zinc/11/40/75/621114075.db2.gz ZDORLRLOPUPXOG-OAHLLOKOSA-N 0 1 291.391 2.710 20 10 CFCDMN CC(C)[C@@H](N[C@H](C)c1cc(F)ccc1O)c1nncn1C ZINC000903066748 621239575 /nfs/dbraw/zinc/23/95/75/621239575.db2.gz WVDLMNOUURAJNI-QMTHXVAHSA-N 0 1 292.358 2.708 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1O ZINC000157651873 623043800 /nfs/dbraw/zinc/04/38/00/623043800.db2.gz VVICQYPDAIUQFK-NTZNESFSSA-N 0 1 266.360 2.665 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CCC(O)CC1 ZINC000227660501 623115884 /nfs/dbraw/zinc/11/58/84/623115884.db2.gz UMBIJWMOPXMFNW-UHFFFAOYSA-N 0 1 269.772 2.686 20 10 CFCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@@H](C)CC ZINC000822512253 623118284 /nfs/dbraw/zinc/11/82/84/623118284.db2.gz YUSHZXWRYVKQIV-ZDUSSCGKSA-N 0 1 279.380 2.803 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218326 623331220 /nfs/dbraw/zinc/33/12/20/623331220.db2.gz IPQLOTKSNXWVCN-OAHLLOKOSA-N 0 1 291.778 2.739 20 10 CFCDMN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1[O-] ZINC000757697482 623493356 /nfs/dbraw/zinc/49/33/56/623493356.db2.gz KFQYWMSGAWKQCC-SECBINFHSA-N 0 1 285.771 2.848 20 10 CFCDMN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824587373 623528759 /nfs/dbraw/zinc/52/87/59/623528759.db2.gz WFMFHVQXGDYGCY-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824587373 623528762 /nfs/dbraw/zinc/52/87/62/623528762.db2.gz WFMFHVQXGDYGCY-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)(C)CO ZINC000824637157 623537378 /nfs/dbraw/zinc/53/73/78/623537378.db2.gz WFKVTRWTYSMTIT-UHFFFAOYSA-N 0 1 275.751 2.635 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637176 623537417 /nfs/dbraw/zinc/53/74/17/623537417.db2.gz WMYHPICHFNNORV-AAEUAGOBSA-N 0 1 269.772 2.638 20 10 CFCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000824636843 623537485 /nfs/dbraw/zinc/53/74/85/623537485.db2.gz UIKVDNFHILVUBS-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637724 623538024 /nfs/dbraw/zinc/53/80/24/623538024.db2.gz ZJGWBRCJGLXEQF-JOYOIKCWSA-N 0 1 287.762 2.778 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824649065 623539083 /nfs/dbraw/zinc/53/90/83/623539083.db2.gz AXYSEOXUNJMFOD-NSHDSACASA-N 0 1 282.727 2.938 20 10 CFCDMN Cc1nc(CC[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000824676627 623543808 /nfs/dbraw/zinc/54/38/08/623543808.db2.gz NLBFZVFMZWYSTP-UHFFFAOYSA-N 0 1 295.770 2.720 20 10 CFCDMN Cc1nc(CC[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000824676627 623543816 /nfs/dbraw/zinc/54/38/16/623543816.db2.gz NLBFZVFMZWYSTP-UHFFFAOYSA-N 0 1 295.770 2.720 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000824815571 623570985 /nfs/dbraw/zinc/57/09/85/623570985.db2.gz TYTXBSHQDFHTAH-ZWNOBZJWSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCCOC[C@H]2C)cc1Cl ZINC000824837494 623574794 /nfs/dbraw/zinc/57/47/94/623574794.db2.gz WZRRFSOGWBIVHP-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCCOC[C@H]2C)cc1Cl ZINC000824837494 623574798 /nfs/dbraw/zinc/57/47/98/623574798.db2.gz WZRRFSOGWBIVHP-LLVKDONJSA-N 0 1 269.772 2.965 20 10 CFCDMN COc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000151870844 623581580 /nfs/dbraw/zinc/58/15/80/623581580.db2.gz WJCPPZQRZRKKFO-UHFFFAOYSA-N 0 1 293.344 2.510 20 10 CFCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CC=CC1 ZINC000151964693 623610286 /nfs/dbraw/zinc/61/02/86/623610286.db2.gz FPIABNDNVWXWNL-UHFFFAOYSA-N 0 1 268.154 2.963 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cn2cccn2)cc1Cl ZINC000825102226 623629753 /nfs/dbraw/zinc/62/97/53/623629753.db2.gz LMLMGJFPJREHOD-NSHDSACASA-N 0 1 279.771 2.729 20 10 CFCDMN CC(C)OC(=O)[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000825117412 623632662 /nfs/dbraw/zinc/63/26/62/623632662.db2.gz CMVOPGUVYXFMFY-QMMMGPOBSA-N 0 1 289.734 2.614 20 10 CFCDMN CCN(CC[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825184875 623646280 /nfs/dbraw/zinc/64/62/80/623646280.db2.gz BKOLMACXJUFWTJ-UHFFFAOYSA-N 0 1 282.815 2.928 20 10 CFCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825197515 623649315 /nfs/dbraw/zinc/64/93/15/623649315.db2.gz NKKSIJCGIAZVBE-UHFFFAOYSA-N 0 1 293.798 2.994 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cnn(C)c2)cc1Cl ZINC000825304240 623667045 /nfs/dbraw/zinc/66/70/45/623667045.db2.gz SSMIMMJLHKUCQP-SNVBAGLBSA-N 0 1 279.771 2.938 20 10 CFCDMN C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825315493 623669660 /nfs/dbraw/zinc/66/96/60/623669660.db2.gz CCEXCYJNTIOOTM-DOMZBBRYSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000825315493 623669661 /nfs/dbraw/zinc/66/96/61/623669661.db2.gz CCEXCYJNTIOOTM-DOMZBBRYSA-N 0 1 271.360 2.748 20 10 CFCDMN CCNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825374644 623682367 /nfs/dbraw/zinc/68/23/67/623682367.db2.gz DBXQDGXQDOLGDW-UHFFFAOYSA-N 0 1 298.814 2.606 20 10 CFCDMN Cc1cc(CNCc2cc(Cl)c(C)cc2O)ncn1 ZINC000825391526 623684874 /nfs/dbraw/zinc/68/48/74/623684874.db2.gz XPYGFIJBLCHBFW-UHFFFAOYSA-N 0 1 277.755 2.742 20 10 CFCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@@H]1OC ZINC000825513267 623707404 /nfs/dbraw/zinc/70/74/04/623707404.db2.gz GBDNBIAEAZSJOQ-YUELXQCFSA-N 0 1 299.798 2.636 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1Cl ZINC000825568002 623717352 /nfs/dbraw/zinc/71/73/52/623717352.db2.gz QFLSVIBWXZRKDI-SMDDNHRTSA-N 0 1 283.799 2.995 20 10 CFCDMN CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825651386 623731287 /nfs/dbraw/zinc/73/12/87/623731287.db2.gz HVHQAWFVTFHDIO-DTWKUNHWSA-N 0 1 288.185 2.668 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC000825882485 623765387 /nfs/dbraw/zinc/76/53/87/623765387.db2.gz KALYVWFFJDPAEA-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)cc1Cl ZINC000825882485 623765388 /nfs/dbraw/zinc/76/53/88/623765388.db2.gz KALYVWFFJDPAEA-GFCCVEGCSA-N 0 1 269.772 2.965 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCCCO)cc1Cl ZINC000826043033 623786853 /nfs/dbraw/zinc/78/68/53/623786853.db2.gz DBEHKXVTDVWDOV-NSHDSACASA-N 0 1 271.788 2.995 20 10 CFCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)O ZINC000826065234 623788517 /nfs/dbraw/zinc/78/85/17/623788517.db2.gz VMMRGJVEBNQQAE-SKDRFNHKSA-N 0 1 257.761 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2COCC2(C)C)cc1Cl ZINC000826089628 623792914 /nfs/dbraw/zinc/79/29/14/623792914.db2.gz LVEWXBSMCSNCPO-ZDUSSCGKSA-N 0 1 269.772 2.869 20 10 CFCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000827018054 623925325 /nfs/dbraw/zinc/92/53/25/623925325.db2.gz RNELYYPQONGAJT-GASCZTMLSA-N 0 1 281.783 2.904 20 10 CFCDMN Cc1nnc(CN(C)Cc2cc(Cl)cc(F)c2O)o1 ZINC000827039196 623928249 /nfs/dbraw/zinc/92/82/49/623928249.db2.gz JZIJRFZOLNRJCT-UHFFFAOYSA-N 0 1 285.706 2.508 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151540 623953769 /nfs/dbraw/zinc/95/37/69/623953769.db2.gz DXYRBXCWAIYZMV-OAHLLOKOSA-N 0 1 299.773 2.922 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279996 623979769 /nfs/dbraw/zinc/97/97/69/623979769.db2.gz COJSOLATAGPMKK-WFASDCNBSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279996 623979775 /nfs/dbraw/zinc/97/97/75/623979775.db2.gz COJSOLATAGPMKK-WFASDCNBSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279996 623979780 /nfs/dbraw/zinc/97/97/80/623979780.db2.gz COJSOLATAGPMKK-WFASDCNBSA-N 0 1 281.783 2.822 20 10 CFCDMN C[C@@]12COC[C@@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284747 623980917 /nfs/dbraw/zinc/98/09/17/623980917.db2.gz WGALRCBHUUDLJF-IINYFYTJSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284747 623980923 /nfs/dbraw/zinc/98/09/23/623980923.db2.gz WGALRCBHUUDLJF-IINYFYTJSA-N 0 1 267.756 2.514 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(Cl)c1 ZINC000827283125 623981165 /nfs/dbraw/zinc/98/11/65/623981165.db2.gz OYQSWCHTWOZIAG-NHYWBVRUSA-N 0 1 281.783 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(Cl)c1 ZINC000827283125 623981168 /nfs/dbraw/zinc/98/11/68/623981168.db2.gz OYQSWCHTWOZIAG-NHYWBVRUSA-N 0 1 281.783 2.822 20 10 CFCDMN C[C@H](O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827812791 624099604 /nfs/dbraw/zinc/09/96/04/624099604.db2.gz AIZXDFXWTITFQL-ZDUSSCGKSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@H](O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000827812791 624099606 /nfs/dbraw/zinc/09/96/06/624099606.db2.gz AIZXDFXWTITFQL-ZDUSSCGKSA-N 0 1 263.381 2.908 20 10 CFCDMN C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1O ZINC000827969444 624142595 /nfs/dbraw/zinc/14/25/95/624142595.db2.gz MNCULMZNOOWCEV-NSHDSACASA-N 0 1 299.374 2.875 20 10 CFCDMN CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000831334430 624991168 /nfs/dbraw/zinc/99/11/68/624991168.db2.gz WDGBUEIRWFMWIF-KGLIPLIRSA-N 0 1 295.354 2.637 20 10 CFCDMN COc1ccc2c(c1)nc(CNCc1ccccc1O)n2C ZINC000185836861 625787963 /nfs/dbraw/zinc/78/79/63/625787963.db2.gz AHLRFKRASWHBOZ-UHFFFAOYSA-N 0 1 297.358 2.577 20 10 CFCDMN COc1cccnc1CN[C@H](C)c1cc(F)ccc1O ZINC000834904618 625916854 /nfs/dbraw/zinc/91/68/54/625916854.db2.gz AEHYDCVWGXLVFL-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000834905634 625918366 /nfs/dbraw/zinc/91/83/66/625918366.db2.gz JCUCQUAFYOVEEI-JFGNBEQYSA-N 0 1 255.745 2.610 20 10 CFCDMN CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834910307 625920123 /nfs/dbraw/zinc/92/01/23/625920123.db2.gz WIPSCTVQLCXYFJ-IUODEOHRSA-N 0 1 296.798 2.755 20 10 CFCDMN CO[C@@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921738866 626102665 /nfs/dbraw/zinc/10/26/65/626102665.db2.gz VPHVXTOJYXFUNT-ZDUSSCGKSA-N 0 1 289.297 2.679 20 10 CFCDMN CCN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000851707042 634480075 /nfs/dbraw/zinc/48/00/75/634480075.db2.gz QCBHXHDCLIWZNR-UHFFFAOYSA-N 0 1 276.380 2.582 20 10 CFCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000073893314 626398947 /nfs/dbraw/zinc/39/89/47/626398947.db2.gz VGDOEHJTUDIWHL-UHFFFAOYSA-N 0 1 297.402 2.550 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN(C1CC1)C1COC1 ZINC000824471377 626480479 /nfs/dbraw/zinc/48/04/79/626480479.db2.gz ABSPAWRQMMJTAJ-UHFFFAOYSA-N 0 1 271.719 2.548 20 10 CFCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccn(C)n2)c1 ZINC000840816508 626513762 /nfs/dbraw/zinc/51/37/62/626513762.db2.gz OPFFDDWKXHWZKH-VXGBXAGGSA-N 0 1 259.353 2.846 20 10 CFCDMN COCC1(C)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839144414 626526046 /nfs/dbraw/zinc/52/60/46/626526046.db2.gz VMWZSQKTLWKGRL-UHFFFAOYSA-N 0 1 273.735 2.653 20 10 CFCDMN Cc1cc(Cl)cc(CN[C@@H](C)c2ccn(C)n2)c1O ZINC000839190976 626530691 /nfs/dbraw/zinc/53/06/91/626530691.db2.gz MCYWTPLQAOUKEY-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN COc1ccc(CNCc2nn(C)c3ccccc23)c(O)c1 ZINC000759190680 626634612 /nfs/dbraw/zinc/63/46/12/626634612.db2.gz ODSHNKLVIUOVAU-UHFFFAOYSA-N 0 1 297.358 2.577 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000759876895 626699604 /nfs/dbraw/zinc/69/96/04/626699604.db2.gz OMDPIYKBWCRWGE-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000759876895 626699606 /nfs/dbraw/zinc/69/96/06/626699606.db2.gz OMDPIYKBWCRWGE-UHFFFAOYSA-N 0 1 297.782 2.595 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCO)C2)c1O 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269.772 2.701 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(C)OCCCO2)c(Cl)c1 ZINC000840941608 631273817 /nfs/dbraw/zinc/27/38/17/631273817.db2.gz DELWLKIFQRESMF-UHFFFAOYSA-N 0 1 285.771 2.597 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000840947992 631275999 /nfs/dbraw/zinc/27/59/99/631275999.db2.gz ORHUWTGIOAVYMP-GFCCVEGCSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000840947992 631276008 /nfs/dbraw/zinc/27/60/08/631276008.db2.gz ORHUWTGIOAVYMP-GFCCVEGCSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000840947994 631277126 /nfs/dbraw/zinc/27/71/26/631277126.db2.gz ORHUWTGIOAVYMP-LBPRGKRZSA-N 0 1 291.782 2.998 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000840947994 631277130 /nfs/dbraw/zinc/27/71/30/631277130.db2.gz ORHUWTGIOAVYMP-LBPRGKRZSA-N 0 1 291.782 2.998 20 10 CFCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)[C@H]1CCOC1 ZINC000840948560 631277917 /nfs/dbraw/zinc/27/79/17/631277917.db2.gz VSGSNHKPNPAEOV-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)[C@H]1CCOC1 ZINC000840948560 631277922 /nfs/dbraw/zinc/27/79/22/631277922.db2.gz VSGSNHKPNPAEOV-NSHDSACASA-N 0 1 269.772 2.965 20 10 CFCDMN COCC1(C)CN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840953809 631280627 /nfs/dbraw/zinc/28/06/27/631280627.db2.gz ZNHLPFIEKGLNMU-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN COCC1(C)C[NH+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840953809 631280637 /nfs/dbraw/zinc/28/06/37/631280637.db2.gz ZNHLPFIEKGLNMU-UHFFFAOYSA-N 0 1 269.772 2.822 20 10 CFCDMN CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998745 631298534 /nfs/dbraw/zinc/29/85/34/631298534.db2.gz RERRAGOWHBZMCL-LAQIPUCWSA-N 0 1 288.391 2.562 20 10 CFCDMN C[C@H]([NH2+]CCN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745372 631462890 /nfs/dbraw/zinc/46/28/90/631462890.db2.gz YLEFEVVGJZNDAH-NSHDSACASA-N 0 1 268.788 2.792 20 10 CFCDMN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841744746 631463248 /nfs/dbraw/zinc/46/32/48/631463248.db2.gz KISCLRMEEAHJQW-WKEGUHRASA-N 0 1 283.677 2.619 20 10 CFCDMN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841744740 631463624 /nfs/dbraw/zinc/46/36/24/631463624.db2.gz KISCLRMEEAHJQW-LDWIPMOCSA-N 0 1 283.677 2.619 20 10 CFCDMN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841750225 631464310 /nfs/dbraw/zinc/46/43/10/631464310.db2.gz NLSIVLHQLOYGAW-IUCAKERBSA-N 0 1 257.761 2.856 20 10 CFCDMN C[C@H]([NH2+]CCOCC(F)F)c1ccc(Cl)cc1[O-] ZINC000841751880 631465385 /nfs/dbraw/zinc/46/53/85/631465385.db2.gz LDUGIQRUKJBSPS-QMMMGPOBSA-N 0 1 279.714 2.978 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841753823 631467097 /nfs/dbraw/zinc/46/70/97/631467097.db2.gz WVQMXCSVJPYEJZ-MNOVXSKESA-N 0 1 296.798 2.707 20 10 CFCDMN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841757360 631467624 /nfs/dbraw/zinc/46/76/24/631467624.db2.gz NRHONDPKVKQJJA-GXSJLCMTSA-N 0 1 255.745 2.875 20 10 CFCDMN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(Cl)cc1[O-] ZINC000841759499 631467993 /nfs/dbraw/zinc/46/79/93/631467993.db2.gz GQHQCPCZHSIJPO-JQEORGNBSA-N 0 1 255.745 2.610 20 10 CFCDMN C[C@H]([NH2+]CCNc1cnccn1)c1ccc(Cl)cc1[O-] ZINC000841757127 631468060 /nfs/dbraw/zinc/46/80/60/631468060.db2.gz DXJHWZYEUIPRSB-JTQLQIEISA-N 0 1 292.770 2.598 20 10 CFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841761135 631468786 /nfs/dbraw/zinc/46/87/86/631468786.db2.gz WNFVLTBJWAVRTR-CMPLNLGQSA-N 0 1 296.798 2.707 20 10 CFCDMN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841761136 631468949 /nfs/dbraw/zinc/46/89/49/631468949.db2.gz WNFVLTBJWAVRTR-JQWIXIFHSA-N 0 1 296.798 2.707 20 10 CFCDMN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765295 631469143 /nfs/dbraw/zinc/46/91/43/631469143.db2.gz XOUOTKCKHMUCFX-ZANVPECISA-N 0 1 257.761 2.713 20 10 CFCDMN COc1cc(CN2C[C@@H](C)OC3(CCC3)C2)c(O)cc1C ZINC000842638426 631688586 /nfs/dbraw/zinc/68/85/86/631688586.db2.gz AILRPMWTXOLGJI-CYBMUJFWSA-N 0 1 291.391 2.853 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@H](C)C2)c(Cl)c1 ZINC000842775399 631737042 /nfs/dbraw/zinc/73/70/42/631737042.db2.gz NGJIMUKIWYUTAB-NXEZZACHSA-N 0 1 255.745 2.621 20 10 CFCDMN [O-]c1c(Cl)cccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123913 631842656 /nfs/dbraw/zinc/84/26/56/631842656.db2.gz RQXBJRPDXDRDSY-HNNXBMFYSA-N 0 1 280.799 2.621 20 10 CFCDMN CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179616 632024969 /nfs/dbraw/zinc/02/49/69/632024969.db2.gz WIUOVNMIKMROLB-SNVBAGLBSA-N 0 1 270.716 2.938 20 10 CFCDMN CC[C@H]1COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815049743 632192086 /nfs/dbraw/zinc/19/20/86/632192086.db2.gz GACAGTGOIMJWMJ-HNNXBMFYSA-N 0 1 262.397 2.672 20 10 CFCDMN Cc1cc(CN2CCO[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815062213 632193824 /nfs/dbraw/zinc/19/38/24/632193824.db2.gz PPLNAWJOFBNOSY-ZIAGYGMSSA-N 0 1 262.397 2.670 20 10 CFCDMN [O-]c1c(C[NH+]2CCC3(CC2)OCCO3)ccc2ccccc21 ZINC000816484334 632468910 /nfs/dbraw/zinc/46/89/10/632468910.db2.gz YFGUFZDVQLUNEG-UHFFFAOYSA-N 0 1 299.370 2.884 20 10 CFCDMN COC(=O)[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816493176 632469980 /nfs/dbraw/zinc/46/99/80/632469980.db2.gz RTFOBXJPFMONJV-GFCCVEGCSA-N 0 1 287.359 2.786 20 10 CFCDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816493176 632469985 /nfs/dbraw/zinc/46/99/85/632469985.db2.gz RTFOBXJPFMONJV-GFCCVEGCSA-N 0 1 287.359 2.786 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+](CCCCO)C1CC1 ZINC000816509970 632475127 /nfs/dbraw/zinc/47/51/27/632475127.db2.gz IPGOIPQXRFLCKY-UHFFFAOYSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816514383 632475541 /nfs/dbraw/zinc/47/55/41/632475541.db2.gz VSJIQQMXRULLOQ-KRWDZBQOSA-N 0 1 271.360 2.892 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816514383 632475544 /nfs/dbraw/zinc/47/55/44/632475544.db2.gz VSJIQQMXRULLOQ-KRWDZBQOSA-N 0 1 271.360 2.892 20 10 CFCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816513017 632475690 /nfs/dbraw/zinc/47/56/90/632475690.db2.gz CIWAXTZRWZUMKD-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816513017 632475691 /nfs/dbraw/zinc/47/56/91/632475691.db2.gz CIWAXTZRWZUMKD-CQSZACIVSA-N 0 1 257.333 2.766 20 10 CFCDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccco2)ccc2ccccc12 ZINC000816532537 632479001 /nfs/dbraw/zinc/47/90/01/632479001.db2.gz LOAZOPMCGUCBOK-HNNXBMFYSA-N 0 1 283.327 2.962 20 10 CFCDMN O=C1CCCN1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816530002 632479719 /nfs/dbraw/zinc/47/97/19/632479719.db2.gz PQQHTECFNXGCSO-UHFFFAOYSA-N 0 1 298.386 2.648 20 10 CFCDMN C[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554154 632482682 /nfs/dbraw/zinc/48/26/82/632482682.db2.gz QJSIPFOXYWZWRV-LBPRGKRZSA-N 0 1 259.349 2.654 20 10 CFCDMN [O-]c1c(C[NH2+]CCNc2cnccn2)ccc2ccccc21 ZINC000816556275 632482798 /nfs/dbraw/zinc/48/27/98/632482798.db2.gz FBEKQSHBBGLHPN-UHFFFAOYSA-N 0 1 294.358 2.537 20 10 CFCDMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553495 632483298 /nfs/dbraw/zinc/48/32/98/632483298.db2.gz XKUCKGSJEXCHSH-NWDGAFQWSA-N 0 1 259.349 2.652 20 10 CFCDMN C[C@@H](CCCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558331 632483702 /nfs/dbraw/zinc/48/37/02/632483702.db2.gz UVHLKPBLEAOVBR-LBPRGKRZSA-N 0 1 259.349 2.796 20 10 CFCDMN CC[C@H](O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557722 632484077 /nfs/dbraw/zinc/48/40/77/632484077.db2.gz YXTGVGSMPRNTFY-AWEZNQCLSA-N 0 1 259.349 2.796 20 10 CFCDMN [O-]c1c(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc2ccccc21 ZINC000816556533 632484470 /nfs/dbraw/zinc/48/44/70/632484470.db2.gz LXEJVRVVEQYYNR-HNNXBMFYSA-N 0 1 293.370 2.916 20 10 CFCDMN CC[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816607898 632492967 /nfs/dbraw/zinc/49/29/67/632492967.db2.gz IVHOEVQJYDYEHI-SNVBAGLBSA-N 0 1 286.778 2.711 20 10 CFCDMN CC(F)(F)CNCc1cc(Cl)c(F)cc1O ZINC000816643141 632501414 /nfs/dbraw/zinc/50/14/14/632501414.db2.gz WJUDAZXLPCXMAS-UHFFFAOYSA-N 0 1 253.651 2.930 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000816647841 632503888 /nfs/dbraw/zinc/50/38/88/632503888.db2.gz YWTAKYPSBODSIM-RKDXNWHRSA-N 0 1 255.745 2.894 20 10 CFCDMN COc1ccc(O)c(CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000816667429 632508786 /nfs/dbraw/zinc/50/87/86/632508786.db2.gz NDWNLSQLZMKITL-HNNXBMFYSA-N 0 1 291.391 2.792 20 10 CFCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000817414465 632625415 /nfs/dbraw/zinc/62/54/15/632625415.db2.gz LJEIQWZJPHUVFA-BDAKNGLRSA-N 0 1 273.735 2.530 20 10 CFCDMN CCOc1cccc(CN2C[C@H](C)OCC23CCC3)c1O ZINC000846066568 632627350 /nfs/dbraw/zinc/62/73/50/632627350.db2.gz CTMGXVDEWQPLMS-ZDUSSCGKSA-N 0 1 291.391 2.934 20 10 CFCDMN CCc1cc(CN[C@@H](C)c2cccc(OC)c2O)on1 ZINC000846148056 632647281 /nfs/dbraw/zinc/64/72/81/632647281.db2.gz WSDGNPWIRAICRX-JTQLQIEISA-N 0 1 276.336 2.802 20 10 CFCDMN COc1ccncc1CN[C@H](C)c1cccc(OC)c1O ZINC000846169985 632652890 /nfs/dbraw/zinc/65/28/90/632652890.db2.gz LOCSRIUSADTUSL-LLVKDONJSA-N 0 1 288.347 2.655 20 10 CFCDMN Cc1cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)ccc1N(C)C ZINC000846276539 632680790 /nfs/dbraw/zinc/68/07/90/632680790.db2.gz VEXFMMRCCBRJJM-ZDUSSCGKSA-N 0 1 290.407 2.746 20 10 CFCDMN Cc1cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])ccc1N(C)C ZINC000846274520 632680976 /nfs/dbraw/zinc/68/09/76/632680976.db2.gz LWENTUHCSQRWOD-AWEZNQCLSA-N 0 1 276.380 2.500 20 10 CFCDMN O=C(NCc1cc(Cl)ccc1O)C(F)(F)C(F)F ZINC000846475448 632716059 /nfs/dbraw/zinc/71/60/59/632716059.db2.gz HJYFBHZLFFOVKU-UHFFFAOYSA-N 0 1 285.624 2.562 20 10 CFCDMN CC[C@@H](N)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000817979705 632777113 /nfs/dbraw/zinc/77/71/13/632777113.db2.gz NIMMLSSPORGKGM-BXKDBHETSA-N 0 1 256.777 2.824 20 10 CFCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH3+])C[C@H]2C)c1[O-] ZINC000846707658 632778855 /nfs/dbraw/zinc/77/88/55/632778855.db2.gz XJFDVXQFQPGLLB-NOZJJQNGSA-N 0 1 296.798 2.560 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631592 632885375 /nfs/dbraw/zinc/88/53/75/632885375.db2.gz KDRXXAHJKKZZJC-XHDPSFHLSA-N 0 1 294.370 2.577 20 10 CFCDMN O=C([O-])C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CCC1 ZINC000848640426 633307087 /nfs/dbraw/zinc/30/70/87/633307087.db2.gz RSGHADUGHSVLPE-UHFFFAOYSA-N 0 1 287.718 2.624 20 10 CFCDMN O=C([O-])C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CCC1 ZINC000848640426 633307094 /nfs/dbraw/zinc/30/70/94/633307094.db2.gz RSGHADUGHSVLPE-UHFFFAOYSA-N 0 1 287.718 2.624 20 10 CFCDMN CC1CCN(C(=[NH2+])NCc2cc(Cl)ccc2[O-])CC1 ZINC000849049725 633480746 /nfs/dbraw/zinc/48/07/46/633480746.db2.gz VIWWIFFIGHHKPT-UHFFFAOYSA-N 0 1 281.787 2.802 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)c(O)c1 ZINC000850499785 634020486 /nfs/dbraw/zinc/02/04/86/634020486.db2.gz XIDMDZVONRZXMW-MDZLAQPJSA-N 0 1 272.352 2.649 20 10 CFCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850546869 634047862 /nfs/dbraw/zinc/04/78/62/634047862.db2.gz PNWZTUIPOJGVAK-CUOATXAZSA-N 0 1 281.783 3.000 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C)c2nccn2C)c(O)c1 ZINC000850572485 634056967 /nfs/dbraw/zinc/05/69/67/634056967.db2.gz KOXBCMHOKYLHSN-NWDGAFQWSA-N 0 1 259.353 2.846 20 10 CFCDMN Cc1cc(C)c(O)c(CN2CCO[C@](C)(C(F)F)C2)c1 ZINC000853633129 635054895 /nfs/dbraw/zinc/05/48/95/635054895.db2.gz PPLZYMPWYKQSEJ-HNNXBMFYSA-N 0 1 285.334 2.865 20 10 CFCDMN CCOc1ccc(O)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000854244060 635270617 /nfs/dbraw/zinc/27/06/17/635270617.db2.gz NTCFVXZNSJTYOG-UHFFFAOYSA-N 0 1 295.379 2.724 20 10 CFCDMN CN(C)c1ccc(/C=C/CN2CCc3n[nH]cc3C2)cc1 ZINC000857877707 636045325 /nfs/dbraw/zinc/04/53/25/636045325.db2.gz OSOPELIDFSOCDL-ONEGZZNKSA-N 0 1 282.391 2.547 20 10 CFCDMN CN(C)c1cc(F)c(CN(C)[C@H]2CCSC2)cc1F ZINC000862220178 637290386 /nfs/dbraw/zinc/29/03/86/637290386.db2.gz LMGXLWMMNFFWHJ-NSHDSACASA-N 0 1 286.391 2.968 20 10 CFCDMN COc1ccc(O)c([C@H](C)NCc2nc(C)c(C)[nH]2)c1 ZINC000862368007 637339037 /nfs/dbraw/zinc/33/90/37/637339037.db2.gz AXHFXSBOHJFXNM-NSHDSACASA-N 0 1 275.352 2.592 20 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270.716 2.796 20 10 CFCDMN COCCc1cc(=O)n(-c2cccc3ccccc32)[nH]1 ZINC000871946974 641523358 /nfs/dbraw/zinc/52/33/58/641523358.db2.gz MDZXIHPVJKYEIZ-UHFFFAOYSA-N 0 1 268.316 2.969 20 10 CFCDMN [O-]c1c(C[N@H+](CCO)C2CCCCC2)ccc(F)c1F ZINC000876511352 642899678 /nfs/dbraw/zinc/89/96/78/642899678.db2.gz GCCMAWUPAPDRKY-UHFFFAOYSA-N 0 1 285.334 2.797 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc(F)c1F ZINC000876619326 642948212 /nfs/dbraw/zinc/94/82/12/642948212.db2.gz UICGNIZPBALMEP-SNVBAGLBSA-N 0 1 293.317 2.773 20 10 CFCDMN CC(C)(C)C[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876695533 642978110 /nfs/dbraw/zinc/97/81/10/642978110.db2.gz AZWIWAWUOIQBBS-UHFFFAOYSA-N 0 1 273.323 2.511 20 10 CFCDMN C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000876812078 643020625 /nfs/dbraw/zinc/02/06/25/643020625.db2.gz JHVUZBZQKQYGCO-BXUZGUMPSA-N 0 1 296.361 2.587 20 10 CFCDMN C[N@H+]1CCC[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000876812078 643020628 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ZINC000877571254 643370675 /nfs/dbraw/zinc/37/06/75/643370675.db2.gz ZZTRGMHQWBKDOZ-AAEUAGOBSA-N 0 1 257.337 2.693 20 10 CFCDMN C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877613172 643399248 /nfs/dbraw/zinc/39/92/48/643399248.db2.gz YTOZZLXUMOJDHR-MFKMUULPSA-N 0 1 296.798 2.583 20 10 CFCDMN Cc1ccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000877643510 643428328 /nfs/dbraw/zinc/42/83/28/643428328.db2.gz JNXVHPJTFQWVFT-XHDPSFHLSA-N 0 1 285.334 2.945 20 10 CFCDMN COC(=O)[C@@]1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000877666554 643443018 /nfs/dbraw/zinc/44/30/18/643443018.db2.gz LACPSXKJZORREJ-BONVTDFDSA-N 0 1 297.782 2.677 20 10 CFCDMN Oc1cccc2c1CN(Cc1ccc3c(c1)CCO3)C2 ZINC000877703348 643468983 /nfs/dbraw/zinc/46/89/83/643468983.db2.gz CVQVQGZGKATSTB-UHFFFAOYSA-N 0 1 267.328 2.843 20 10 CFCDMN COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000877706895 643474105 /nfs/dbraw/zinc/47/41/05/643474105.db2.gz KPANFDGSRQQMLX-OAHLLOKOSA-N 0 1 297.782 2.867 20 10 CFCDMN C[C@H](NCc1cn(C2CCC2)nn1)c1ccccc1O ZINC000877758180 643538197 /nfs/dbraw/zinc/53/81/97/643538197.db2.gz LVDZGVBTSXVXBC-NSHDSACASA-N 0 1 272.352 2.560 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccnn2C)cc1Cl ZINC000877762076 643541645 /nfs/dbraw/zinc/54/16/45/643541645.db2.gz ZGIAZRMORGPRCI-JTQLQIEISA-N 0 1 279.771 2.938 20 10 CFCDMN CCOC(=O)[C@@H](C)C1CN(Cc2cc(Cl)ccc2O)C1 ZINC000877828780 643594541 /nfs/dbraw/zinc/59/45/41/643594541.db2.gz LDFPASNJSKHWNH-JTQLQIEISA-N 0 1 297.782 2.677 20 10 CFCDMN C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000126828566 643674077 /nfs/dbraw/zinc/67/40/77/643674077.db2.gz BOCAMSCKMUULJC-IUCAKERBSA-N 0 1 289.206 2.868 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000092086231 650915091 /nfs/dbraw/zinc/91/50/91/650915091.db2.gz SENAVUVOCSJWGQ-UWVGGRQHSA-N 0 1 265.328 2.822 20 10 CFCDMN CCC[C@H]1CN(Cc2cc(OCC)ccc2O)CCO1 ZINC000093508898 650941311 /nfs/dbraw/zinc/94/13/11/650941311.db2.gz JUKJYQAUIFWXQA-HNNXBMFYSA-N 0 1 279.380 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CFCDMN Cc1cc(C)c(CN2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC001231845566 777346555 /nfs/dbraw/zinc/34/65/55/777346555.db2.gz ASQYUTMGOLWQQN-GOSISDBHSA-N 0 1 298.386 2.978 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231911003 777362283 /nfs/dbraw/zinc/36/22/83/777362283.db2.gz YEDZPQBHLAOXDV-NHCYSSNCSA-N 0 1 255.720 2.835 20 10 CFCDMN [O-]c1c(C[N@H+]2CCC[C@H]2CO)ccc2ccccc21 ZINC001231879057 777362870 /nfs/dbraw/zinc/36/28/70/777362870.db2.gz ULMULVFSFHZXCY-AWEZNQCLSA-N 0 1 257.333 2.502 20 10 CFCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2CO)ccc2ccccc21 ZINC001231879057 777362877 /nfs/dbraw/zinc/36/28/77/777362877.db2.gz ULMULVFSFHZXCY-AWEZNQCLSA-N 0 1 257.333 2.502 20 10 CFCDMN C[C@H]1COCCN1Cc1ccc2ccccc2c1O ZINC001231879890 777363794 /nfs/dbraw/zinc/36/37/94/777363794.db2.gz UTUGNCFXIWGLQQ-LBPRGKRZSA-N 0 1 257.333 2.766 20 10 CFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC001231909353 777378320 /nfs/dbraw/zinc/37/83/20/777378320.db2.gz KAQFBPWIXWFQPP-ZWNOBZJWSA-N 0 1 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C[C@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141522 779024959 /nfs/dbraw/zinc/02/49/59/779024959.db2.gz YAGSIZHIBAZGTP-ZDUSSCGKSA-N 0 1 289.297 2.758 20 10 CFCDMN C[C@]1(CO)CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415876 779041604 /nfs/dbraw/zinc/04/16/04/779041604.db2.gz LWNGZEWJWAJJLL-ZDUSSCGKSA-N 0 1 289.297 2.615 20 10 CFCDMN COC(=O)Cc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001237489101 779119008 /nfs/dbraw/zinc/11/90/08/779119008.db2.gz YVAFBJYRRRRZAJ-UHFFFAOYSA-N 0 1 299.370 2.740 20 10 CFCDMN Cc1cccc(O)c1CN1CC(Oc2ccccc2)C1 ZINC001237489802 779119084 /nfs/dbraw/zinc/11/90/84/779119084.db2.gz KLGCURLKFXEMEF-UHFFFAOYSA-N 0 1 269.344 2.964 20 10 CFCDMN CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC001237494777 779120582 /nfs/dbraw/zinc/12/05/82/779120582.db2.gz LKAFBQGYZKRYSS-AWEZNQCLSA-N 0 1 291.391 2.866 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237617367 779144694 /nfs/dbraw/zinc/14/46/94/779144694.db2.gz PIXDCANGHOPJRW-JWYUURKGSA-N 0 1 273.710 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CN(C)c1ccc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000701267120 780782611 /nfs/dbraw/zinc/78/26/11/780782611.db2.gz RIGCETRSIGYEBT-UHFFFAOYSA-N 0 1 298.386 2.839 20 10 CFCDMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703543428 781025359 /nfs/dbraw/zinc/02/53/59/781025359.db2.gz UNOKLIHQBVYSHG-AWEZNQCLSA-N 0 1 271.307 2.671 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000703539422 781026103 /nfs/dbraw/zinc/02/61/03/781026103.db2.gz BLODUSIKVIQQOJ-ONGXEEELSA-N 0 1 271.307 2.670 20 10 CFCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703532598 781026670 /nfs/dbraw/zinc/02/66/70/781026670.db2.gz UJXMXIJZHHOEFJ-UHFFFAOYSA-N 0 1 271.307 2.671 20 10 CFCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001137838646 781161301 /nfs/dbraw/zinc/16/13/01/781161301.db2.gz FSJNUSHTVOAEEW-CYBMUJFWSA-N 0 1 287.281 2.531 20 10 CFCDMN COCC[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706804746 781203955 /nfs/dbraw/zinc/20/39/55/781203955.db2.gz OXOULQBIJJSEFT-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN CO[C@@H](C)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706883737 781212407 /nfs/dbraw/zinc/21/24/07/781212407.db2.gz YLYJTJOUWXSUMY-VIFPVBQESA-N 0 1 288.185 2.669 20 10 CFCDMN COCC1([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000707178077 781229891 /nfs/dbraw/zinc/22/98/91/781229891.db2.gz CNIQIAUHFONZLP-UHFFFAOYSA-N 0 1 297.782 2.859 20 10 CFCDMN COCC1([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000707178077 781229895 /nfs/dbraw/zinc/22/98/95/781229895.db2.gz CNIQIAUHFONZLP-UHFFFAOYSA-N 0 1 297.782 2.859 20 10 CFCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)F)C2)c1O ZINC000707174489 781230149 /nfs/dbraw/zinc/23/01/49/781230149.db2.gz ZMWHNCPDCJKWAX-VIFPVBQESA-N 0 1 287.281 2.821 20 10 CFCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000708399967 781273108 /nfs/dbraw/zinc/27/31/08/781273108.db2.gz MRYPJMGJZKHEHP-WCQYABFASA-N 0 1 283.318 2.527 20 10 CFCDMN CO[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1C ZINC000708413665 781273989 /nfs/dbraw/zinc/27/39/89/781273989.db2.gz MPSIQCXZRNABBI-RNCFNFMXSA-N 0 1 271.307 2.527 20 10 CFCDMN CC(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031052 781288262 /nfs/dbraw/zinc/28/82/62/781288262.db2.gz SNRDDNFUJXZFCS-ZDUSSCGKSA-N 0 1 269.772 2.902 20 10 CFCDMN C[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC000708503870 781291648 /nfs/dbraw/zinc/29/16/48/781291648.db2.gz QLPOHOZYNREVQE-YFKPBYRVSA-N 0 1 255.186 2.711 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763976 347645741 /nfs/dbraw/zinc/64/57/41/347645741.db2.gz QLQVWPVVYUNNHF-QMMMGPOBSA-N 0 1 276.163 2.513 20 10 CFCDMN COC(=O)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000180499206 291082042 /nfs/dbraw/zinc/08/20/42/291082042.db2.gz WTPSSLBKQXUGGN-UHFFFAOYSA-N 0 1 297.782 2.963 20 10 CFCDMN C[C@@H](CCCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000294934264 199258089 /nfs/dbraw/zinc/25/80/89/199258089.db2.gz ZRIUERFICGXBBK-JTQLQIEISA-N 0 1 257.761 2.544 20 10 CFCDMN CCC1(CC)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000297386088 200171282 /nfs/dbraw/zinc/17/12/82/200171282.db2.gz IZPQIIACQKEAEK-UHFFFAOYSA-N 0 1 294.351 2.931 20 10 CFCDMN CC[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000378714417 781960579 /nfs/dbraw/zinc/96/05/79/781960579.db2.gz XGRLNFRMGRSSMW-CYBMUJFWSA-N 0 1 255.745 2.704 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc2ccccc2c1[O-] ZINC000273553530 296148705 /nfs/dbraw/zinc/14/87/05/296148705.db2.gz GLCUGFVWNBXRKB-QWHCGFSZSA-N 0 1 296.374 2.876 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000037925928 372737540 /nfs/dbraw/zinc/73/75/40/372737540.db2.gz AZQFIXOPWGDOMV-UHFFFAOYSA-N 0 1 251.301 2.576 20 10 CFCDMN CCC[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000378731178 781964495 /nfs/dbraw/zinc/96/44/95/781964495.db2.gz DDOABPCCPDJBBN-GFCCVEGCSA-N 0 1 257.761 2.950 20 10 CFCDMN COCCN(Cc1ccco1)Cc1cc(C)ccc1O ZINC000092562547 375123491 /nfs/dbraw/zinc/12/34/91/375123491.db2.gz XSHROTMEHQPJOY-UHFFFAOYSA-N 0 1 275.348 2.942 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479753 375249806 /nfs/dbraw/zinc/24/98/06/375249806.db2.gz IXMOQFBNAVPIJQ-YWXMQNBFSA-N 0 1 281.783 2.638 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479753 375249812 /nfs/dbraw/zinc/24/98/12/375249812.db2.gz IXMOQFBNAVPIJQ-YWXMQNBFSA-N 0 1 281.783 2.638 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000113337587 376011129 /nfs/dbraw/zinc/01/11/29/376011129.db2.gz LSYUTFVKLHRVIX-ZDUSSCGKSA-N 0 1 291.778 2.739 20 10 CFCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCSCC2)c1[O-] ZINC000126184153 377217668 /nfs/dbraw/zinc/21/76/68/377217668.db2.gz ZGJNUMOPVXFVFF-UHFFFAOYSA-N 0 1 288.756 2.503 20 10 CFCDMN C[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134922834 378064007 /nfs/dbraw/zinc/06/40/07/378064007.db2.gz BAWOBVUHYDXSAI-BDAKNGLRSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134921007 378064347 /nfs/dbraw/zinc/06/43/47/378064347.db2.gz OWKBKPJYWAPGEO-RKDXNWHRSA-N 0 1 288.185 2.576 20 10 CFCDMN CCOc1cccc(CN[C@@H](COC)c2ccco2)c1O ZINC000177576859 380357234 /nfs/dbraw/zinc/35/72/34/380357234.db2.gz PQHJWYWZSPKIKN-ZDUSSCGKSA-N 0 1 291.347 2.861 20 10 CFCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cnccn1 ZINC000177974522 380398577 /nfs/dbraw/zinc/39/85/77/380398577.db2.gz PFWCTONARUJPDZ-CQSZACIVSA-N 0 1 282.391 2.928 20 10 CFCDMN C[C@@H](NCc1nnc2n1CCCCC2)c1ccccc1O ZINC000179877633 380591989 /nfs/dbraw/zinc/59/19/89/380591989.db2.gz YVXIZMHKMZZIRN-GFCCVEGCSA-N 0 1 286.379 2.561 20 10 CFCDMN COc1ccc(O)c(CN(C)Cc2scnc2C)c1 ZINC000180038591 380613715 /nfs/dbraw/zinc/61/37/15/380613715.db2.gz FQKDRBKRCABYAD-UHFFFAOYSA-N 0 1 278.377 2.798 20 10 CFCDMN CCN(Cc1ccccn1)Cc1cc(F)ccc1O ZINC000180140016 380624519 /nfs/dbraw/zinc/62/45/19/380624519.db2.gz SVPAFNSABCLGLQ-UHFFFAOYSA-N 0 1 260.312 2.948 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCOC2(CCC2)C1 ZINC000295382896 380821340 /nfs/dbraw/zinc/82/13/40/380821340.db2.gz PFAABTCBSPNEBK-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cccc(Cl)c1[O-] ZINC000289534585 381038752 /nfs/dbraw/zinc/03/87/52/381038752.db2.gz HSSPUYNEPUIYBF-PFSWANKYSA-N 0 1 293.794 2.901 20 10 CFCDMN CCOc1cccc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000183756860 381315022 /nfs/dbraw/zinc/31/50/22/381315022.db2.gz KSLVFABQJJSFIY-UHFFFAOYSA-N 0 1 286.375 2.860 20 10 CFCDMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(F)c1[O-] ZINC000296642421 381485003 /nfs/dbraw/zinc/48/50/03/381485003.db2.gz YDWXOYNVWLKFMI-YEJSDXFRSA-N 0 1 296.361 2.946 20 10 CFCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184701183 381462713 /nfs/dbraw/zinc/46/27/13/381462713.db2.gz IIPFDVBUMYCOBN-NSHDSACASA-N 0 1 299.798 2.913 20 10 CFCDMN Cc1ccc(O)c([C@H](C)NCc2nnc(C(C)C)[nH]2)c1 ZINC000296639406 381486150 /nfs/dbraw/zinc/48/61/50/381486150.db2.gz XYMKRQFCQZQRRU-NSHDSACASA-N 0 1 274.368 2.793 20 10 CFCDMN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000371556210 381659250 /nfs/dbraw/zinc/65/92/50/381659250.db2.gz WZCGXPRFOCBZNT-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000371556210 381659255 /nfs/dbraw/zinc/65/92/55/381659255.db2.gz WZCGXPRFOCBZNT-BXUZGUMPSA-N 0 1 280.799 2.572 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC12CCOCC2 ZINC000374897445 382059548 /nfs/dbraw/zinc/05/95/48/382059548.db2.gz MHUKZLICJFGZEJ-UHFFFAOYSA-N 0 1 265.328 2.676 20 10 CFCDMN C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000293570453 382179348 /nfs/dbraw/zinc/17/93/48/382179348.db2.gz IYMQAQNRPGVTDO-HZMBPMFUSA-N 0 1 298.789 2.711 20 10 CFCDMN Cc1cc(O)c(CN2CCO[C@H](COC(C)C)C2)cc1C ZINC000364226332 382286084 /nfs/dbraw/zinc/28/60/84/382286084.db2.gz ZHRHXIUAHNAGEB-INIZCTEOSA-N 0 1 293.407 2.635 20 10 CFCDMN CCOc1cccc(CN(C)Cc2conc2CC)c1O ZINC000293752531 382264648 /nfs/dbraw/zinc/26/46/48/382264648.db2.gz WZRNYULWALHOOZ-UHFFFAOYSA-N 0 1 290.363 2.973 20 10 CFCDMN Oc1ccc(F)cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364320863 382305938 /nfs/dbraw/zinc/30/59/38/382305938.db2.gz AAPXLYLFTODVFH-HNNXBMFYSA-N 0 1 298.321 2.529 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(F)ccc1[O-] ZINC000188001956 382321604 /nfs/dbraw/zinc/32/16/04/382321604.db2.gz MRRWYINEFUTWPA-WDMOLILDSA-N 0 1 267.344 2.733 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000378439183 382461076 /nfs/dbraw/zinc/46/10/76/382461076.db2.gz MSWFRWPWJMIHKM-LLVKDONJSA-N 0 1 269.772 2.640 20 10 CFCDMN CO[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378635486 382497648 /nfs/dbraw/zinc/49/76/48/382497648.db2.gz USTFCXCIQJSZIM-LBPRGKRZSA-N 0 1 253.317 2.532 20 10 CFCDMN CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268799306 384663550 /nfs/dbraw/zinc/66/35/50/384663550.db2.gz AONVPKWPBQMSGB-OAHLLOKOSA-N 0 1 270.380 2.643 20 10 CFCDMN CN(C)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268799306 384663559 /nfs/dbraw/zinc/66/35/59/384663559.db2.gz AONVPKWPBQMSGB-OAHLLOKOSA-N 0 1 270.380 2.643 20 10 CFCDMN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C ZINC000282471921 385321122 /nfs/dbraw/zinc/32/11/22/385321122.db2.gz KSZHUVBYAUHKSB-OAHLLOKOSA-N 0 1 290.407 2.615 20 10 CFCDMN CCC(CC)(CCO)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000282381624 385298309 /nfs/dbraw/zinc/29/83/09/385298309.db2.gz FYWGQFCMLDLPQB-UHFFFAOYSA-N 0 1 297.370 2.765 20 10 CFCDMN CCOC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271169461 385360769 /nfs/dbraw/zinc/36/07/69/385360769.db2.gz DDHRDTIZZTTWTR-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271169461 385360771 /nfs/dbraw/zinc/36/07/71/385360771.db2.gz DDHRDTIZZTTWTR-LLVKDONJSA-N 0 1 269.772 2.904 20 10 CFCDMN COc1ccc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271836299 385393901 /nfs/dbraw/zinc/39/39/01/385393901.db2.gz POVZSWWWCXFVGB-UHFFFAOYSA-N 0 1 291.391 2.793 20 10 CFCDMN Cc1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)[nH]n1 ZINC000283108020 385436944 /nfs/dbraw/zinc/43/69/44/385436944.db2.gz UGBGZVSSIOJSKN-GFCCVEGCSA-N 0 1 289.354 2.942 20 10 CFCDMN Cc1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)n[nH]1 ZINC000283108020 385436946 /nfs/dbraw/zinc/43/69/46/385436946.db2.gz UGBGZVSSIOJSKN-GFCCVEGCSA-N 0 1 289.354 2.942 20 10 CFCDMN Cc1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n[nH]1 ZINC000283108020 385436947 /nfs/dbraw/zinc/43/69/47/385436947.db2.gz UGBGZVSSIOJSKN-GFCCVEGCSA-N 0 1 289.354 2.942 20 10 CFCDMN C[C@@H](CCO)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000272629625 385579180 /nfs/dbraw/zinc/57/91/80/385579180.db2.gz MXPJAOHHXDRJDW-LBPRGKRZSA-N 0 1 281.371 2.810 20 10 CFCDMN C[N@@H+](CCc1ccncc1)Cc1cccc(F)c1[O-] ZINC000273350284 385676755 /nfs/dbraw/zinc/67/67/55/385676755.db2.gz AUVBYKXXHDNHJJ-UHFFFAOYSA-N 0 1 260.312 2.601 20 10 CFCDMN CCOc1ccc(O)c(C[N@H+]2CCCSCC2)c1 ZINC000273402391 385681161 /nfs/dbraw/zinc/68/11/61/385681161.db2.gz MMZGWXGLACCQSX-UHFFFAOYSA-N 0 1 267.394 2.730 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000273426601 385682970 /nfs/dbraw/zinc/68/29/70/385682970.db2.gz UHSLSUQPBLBSFJ-VHSXEESVSA-N 0 1 255.745 2.733 20 10 CFCDMN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000273426598 385683391 /nfs/dbraw/zinc/68/33/91/385683391.db2.gz UHSLSUQPBLBSFJ-NXEZZACHSA-N 0 1 255.745 2.733 20 10 CFCDMN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000273591887 385690051 /nfs/dbraw/zinc/69/00/51/385690051.db2.gz PJWRRCHYQSZBRH-SNVBAGLBSA-N 0 1 296.798 2.742 20 10 CFCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H]2CCC[C@H]21 ZINC000366756421 130197883 /nfs/dbraw/zinc/19/78/83/130197883.db2.gz KMPHKGLFMAFFGG-YPMHNXCESA-N 0 1 285.746 2.938 20 10 CFCDMN C[C@@H](C(=O)N1CCCCCC1)N(C)Cc1ccccc1O ZINC000109771307 393879739 /nfs/dbraw/zinc/87/97/39/393879739.db2.gz ARTCDLAODRWNFS-AWEZNQCLSA-N 0 1 290.407 2.615 20 10 CFCDMN CC[C@H](NCc1nnc2n1CCCC2)c1ccccc1O ZINC000121099085 393947902 /nfs/dbraw/zinc/94/79/02/393947902.db2.gz HQALXSBCRPCCJP-ZDUSSCGKSA-N 0 1 286.379 2.561 20 10 CFCDMN C[N@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000365238540 394229688 /nfs/dbraw/zinc/22/96/88/394229688.db2.gz AVTRSVHYDSXJCJ-MFKMUULPSA-N 0 1 298.789 2.711 20 10 CFCDMN CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020198131 171061881 /nfs/dbraw/zinc/06/18/81/171061881.db2.gz IKJLHWWIUXFFFN-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN C[C@@H]1CCOCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000367708678 267112103 /nfs/dbraw/zinc/11/21/03/267112103.db2.gz RFFWRLJAJZFXJX-GFCCVEGCSA-N 0 1 266.360 2.503 20 10 CFCDMN C[C@@H]1CCOCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000368130551 267146558 /nfs/dbraw/zinc/14/65/58/267146558.db2.gz CVDFAPZSOVETFH-SNVBAGLBSA-N 0 1 255.745 2.656 20 10 CFCDMN CC[C@H](c1ccccc1O)N1CCn2cncc2C1 ZINC000368215809 267152907 /nfs/dbraw/zinc/15/29/07/267152907.db2.gz OKIQKHXNODRTTM-CQSZACIVSA-N 0 1 257.337 2.556 20 10 CFCDMN Cc1c([C@H]2CCC[N@H+]2Cc2cccc(F)c2[O-])cnn1C ZINC000368463299 267175093 /nfs/dbraw/zinc/17/50/93/267175093.db2.gz XZROENVSOBKGCG-OAHLLOKOSA-N 0 1 289.354 2.910 20 10 CFCDMN CC[C@H](N[C@@H]1CCCn2c(C)nnc21)c1ccccc1O ZINC000369972373 267280323 /nfs/dbraw/zinc/28/03/23/267280323.db2.gz FMVJGPFLYCPZGF-UONOGXRCSA-N 0 1 286.379 2.868 20 10 CFCDMN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1[O-] ZINC000370397279 267317087 /nfs/dbraw/zinc/31/70/87/267317087.db2.gz MNQIGOHMPXPXQJ-BXKDBHETSA-N 0 1 291.782 2.977 20 10 CFCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCOCC2)c1[O-] ZINC000179881206 275501849 /nfs/dbraw/zinc/50/18/49/275501849.db2.gz MUIZZZCFNIQDII-SNVBAGLBSA-N 0 1 295.354 2.639 20 10 CFCDMN C[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000132559662 278234822 /nfs/dbraw/zinc/23/48/22/278234822.db2.gz MVFIQULCZBHUDB-RYUDHWBXSA-N 0 1 259.349 2.967 20 10 CFCDMN CCOCC(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000293373937 521671347 /nfs/dbraw/zinc/67/13/47/521671347.db2.gz VNLMSHHHDFYJCU-UHFFFAOYSA-N 0 1 283.343 2.639 20 10 CFCDMN CCOCc1cc(CN[C@H](C)c2cn[nH]c2)ccc1OC ZINC000270266349 520185799 /nfs/dbraw/zinc/18/57/99/520185799.db2.gz WYGQQRCAUZDMRA-GFCCVEGCSA-N 0 1 289.379 2.806 20 10 CFCDMN CCC[C@@H](CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000231388610 520700450 /nfs/dbraw/zinc/70/04/50/520700450.db2.gz ZSIKSEBROLQJKU-NSHDSACASA-N 0 1 271.788 2.934 20 10 CFCDMN CCOC(=O)[C@@H]1CCCCN1Cc1cc(C)ccc1O ZINC000161272542 521100440 /nfs/dbraw/zinc/10/04/40/521100440.db2.gz DDCVQUNZIPUAGM-AWEZNQCLSA-N 0 1 277.364 2.618 20 10 CFCDMN CCOC(=O)[C@H](C)N(Cc1cccc(Cl)c1O)C1CC1 ZINC000191713074 521199870 /nfs/dbraw/zinc/19/98/70/521199870.db2.gz JFEYDJRVYGGAJW-JTQLQIEISA-N 0 1 297.782 2.962 20 10 CFCDMN CCOC(=O)[C@H](C)[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000191713074 521199878 /nfs/dbraw/zinc/19/98/78/521199878.db2.gz JFEYDJRVYGGAJW-JTQLQIEISA-N 0 1 297.782 2.962 20 10 CFCDMN CCOC(=O)[C@H](C)[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000191713074 521199881 /nfs/dbraw/zinc/19/98/81/521199881.db2.gz JFEYDJRVYGGAJW-JTQLQIEISA-N 0 1 297.782 2.962 20 10 CFCDMN CCOc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000228156225 521341849 /nfs/dbraw/zinc/34/18/49/521341849.db2.gz VVLSIZJMHGUQLF-HUUCEWRRSA-N 0 1 291.391 2.934 20 10 CFCDMN CCCc1nc(C)c(CNCc2cccc(OC)c2O)o1 ZINC000291789351 521495487 /nfs/dbraw/zinc/49/54/87/521495487.db2.gz VZCFAPVATFWJGI-UHFFFAOYSA-N 0 1 290.363 2.940 20 10 CFCDMN COCCC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000230943375 522985408 /nfs/dbraw/zinc/98/54/08/522985408.db2.gz ZRLAJBZYARTCAW-UHFFFAOYSA-N 0 1 255.333 2.684 20 10 CFCDMN CC[C@H]1CCCCN1C(=O)CN(C)Cc1ccccc1O ZINC000264577423 523000569 /nfs/dbraw/zinc/00/05/69/523000569.db2.gz BDIVYSNQARQMOI-HNNXBMFYSA-N 0 1 290.407 2.615 20 10 CFCDMN CO[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289928191 523407499 /nfs/dbraw/zinc/40/74/99/523407499.db2.gz WHGHQJOSBUHMNS-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289928191 523407508 /nfs/dbraw/zinc/40/75/08/523407508.db2.gz WHGHQJOSBUHMNS-VIFPVBQESA-N 0 1 288.185 2.621 20 10 CFCDMN CO[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C ZINC000276048008 523737468 /nfs/dbraw/zinc/73/74/68/523737468.db2.gz RLYRESLYSXSGLA-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C ZINC000276048008 523737476 /nfs/dbraw/zinc/73/74/76/523737476.db2.gz RLYRESLYSXSGLA-QMTHXVAHSA-N 0 1 269.772 2.902 20 10 CFCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000191426794 523808919 /nfs/dbraw/zinc/80/89/19/523808919.db2.gz PTUDFGXGQULWTQ-MRXNPFEDSA-N 0 1 290.407 2.972 20 10 CFCDMN COc1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1C ZINC000265237298 524085186 /nfs/dbraw/zinc/08/51/86/524085186.db2.gz KBYDAUYMKRYXEC-INIZCTEOSA-N 0 1 289.350 2.966 20 10 CFCDMN COc1ccc(N(Cc2n[nH]c(C)n2)[C@H](C)C2CC2)cc1 ZINC000293253306 524369941 /nfs/dbraw/zinc/36/99/41/524369941.db2.gz ROOHQIVPHQECGX-LLVKDONJSA-N 0 1 286.379 2.927 20 10 CFCDMN C[C@H]([NH2+]CCCCO)c1ccc(Br)cc1[O-] ZINC000194212319 525336662 /nfs/dbraw/zinc/33/66/62/525336662.db2.gz LPRDXKMDDDISKR-VIFPVBQESA-N 0 1 288.185 2.578 20 10 CFCDMN C[C@H](NCc1cnnn1C)c1ccc(N2CCCCC2)cc1 ZINC000287326950 525481480 /nfs/dbraw/zinc/48/14/80/525481480.db2.gz MBQKAWAZSDYVJX-AWEZNQCLSA-N 0 1 299.422 2.656 20 10 CFCDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000274944908 525558597 /nfs/dbraw/zinc/55/85/97/525558597.db2.gz GAKISHCQCONDTO-LLVKDONJSA-N 0 1 285.395 2.599 20 10 CFCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000295360988 526331990 /nfs/dbraw/zinc/33/19/90/526331990.db2.gz NSPMQUZYCUYDHP-GXTWGEPZSA-N 0 1 285.746 2.938 20 10 CFCDMN CCOc1ccc(CN2CC(C)(C)OC[C@@H]2C)c(O)c1 ZINC000754156730 574078876 /nfs/dbraw/zinc/07/88/76/574078876.db2.gz UDHIYIHZRAFNCO-LBPRGKRZSA-N 0 1 279.380 2.790 20 10 CFCDMN CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738286426 574162936 /nfs/dbraw/zinc/16/29/36/574162936.db2.gz WMODTXSSMHFCHU-KRWDZBQOSA-N 0 1 299.418 2.712 20 10 CFCDMN CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738286426 574162938 /nfs/dbraw/zinc/16/29/38/574162938.db2.gz WMODTXSSMHFCHU-KRWDZBQOSA-N 0 1 299.418 2.712 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ncccc1F ZINC000746753917 574165286 /nfs/dbraw/zinc/16/52/86/574165286.db2.gz IMNSHXKFJLWPHQ-UHFFFAOYSA-N 0 1 296.729 2.748 20 10 CFCDMN O=C(C1=CC(=O)CS1)N1CCCN(C2CCCC2)CC1 ZINC000738548118 574172939 /nfs/dbraw/zinc/17/29/39/574172939.db2.gz IUWYNBDELCNZMV-UHFFFAOYSA-N 0 1 294.420 2.544 20 10 CFCDMN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000739639448 574221501 /nfs/dbraw/zinc/22/15/01/574221501.db2.gz MPUZQHFYADCVHG-HNNXBMFYSA-N 0 1 289.375 2.710 20 10 CFCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000747975472 574223947 /nfs/dbraw/zinc/22/39/47/574223947.db2.gz VLAPFXCKWBPHSP-UHFFFAOYSA-N 0 1 294.358 2.747 20 10 CFCDMN c1nn2ccccc2c1CNCc1ccc2c(c1)CCO2 ZINC000729679760 574227688 /nfs/dbraw/zinc/22/76/88/574227688.db2.gz QSIBXKGBPUXKBC-UHFFFAOYSA-N 0 1 279.343 2.559 20 10 CFCDMN COCCOCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756359010 574229423 /nfs/dbraw/zinc/22/94/23/574229423.db2.gz NAAARIOICKQHCH-LLVKDONJSA-N 0 1 287.787 2.749 20 10 CFCDMN C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756549454 574246694 /nfs/dbraw/zinc/24/66/94/574246694.db2.gz 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/nfs/dbraw/zinc/53/52/76/623535276.db2.gz MSZKIOCGCXAMLC-UHFFFAOYSA-N 0 1 275.751 2.635 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000824815495 623570642 /nfs/dbraw/zinc/57/06/42/623570642.db2.gz RBEIOTBZHOBYEI-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC000824815495 623570647 /nfs/dbraw/zinc/57/06/47/623570647.db2.gz RBEIOTBZHOBYEI-YGRLFVJLSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000824815738 623571683 /nfs/dbraw/zinc/57/16/83/623571683.db2.gz YAWJFVUDOUDFDG-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000824815738 623571689 /nfs/dbraw/zinc/57/16/89/623571689.db2.gz YAWJFVUDOUDFDG-HZMBPMFUSA-N 0 1 269.772 2.902 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000824906602 623585994 /nfs/dbraw/zinc/58/59/94/623585994.db2.gz QKMJFCZBRXYNOO-OAHLLOKOSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000824906602 623585996 /nfs/dbraw/zinc/58/59/96/623585996.db2.gz QKMJFCZBRXYNOO-OAHLLOKOSA-N 0 1 281.783 2.966 20 10 CFCDMN COc1cccc(O)c1CN1CCc2cccc(OC)c2C1 ZINC000824983296 623599391 /nfs/dbraw/zinc/59/93/91/623599391.db2.gz SXGBULPQULQKKV-UHFFFAOYSA-N 0 1 299.370 2.968 20 10 CFCDMN Cc1cccc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016304 623607147 /nfs/dbraw/zinc/60/71/47/623607147.db2.gz AHLXQWKNYZALML-YPMHNXCESA-N 0 1 257.337 2.693 20 10 CFCDMN CCc1ncc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000825079301 623624777 /nfs/dbraw/zinc/62/47/77/623624777.db2.gz QZUOFRSVNRLFGO-SNVBAGLBSA-N 0 1 276.336 2.802 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825144152 623639019 /nfs/dbraw/zinc/63/90/19/623639019.db2.gz LLFYAOSKDXLYSS-JTQLQIEISA-N 0 1 298.814 2.747 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2cnccn2)cc1Cl ZINC000825150208 623640165 /nfs/dbraw/zinc/64/01/65/623640165.db2.gz DGOCNIBYAQVURT-LLVKDONJSA-N 0 1 291.782 2.865 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCSCCCO)cc1Cl ZINC000825234444 623655512 /nfs/dbraw/zinc/65/55/12/623655512.db2.gz PZQIZBMJNXHALJ-UHFFFAOYSA-N 0 1 289.828 2.559 20 10 CFCDMN COc1cccnc1CNCc1cc(C)c(C)cc1O ZINC000825249894 623658474 /nfs/dbraw/zinc/65/84/74/623658474.db2.gz QKPVSNICRYTNRZ-UHFFFAOYSA-N 0 1 272.348 2.702 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1Cl ZINC000825315802 623669720 /nfs/dbraw/zinc/66/97/20/623669720.db2.gz MSPGRBYUWMHMCF-QWRGUYRKSA-N 0 1 269.772 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1Cl ZINC000825346310 623678098 /nfs/dbraw/zinc/67/80/98/623678098.db2.gz DCPOLESDWZEDHB-AAEUAGOBSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc(O)c(C[N@@H+](C)CCc2cnccn2)cc1Cl ZINC000825456280 623697682 /nfs/dbraw/zinc/69/76/82/623697682.db2.gz TVWOZKQQUGHTJW-UHFFFAOYSA-N 0 1 291.782 2.819 20 10 CFCDMN Cc1cc([O-])c(C[N@H+](C)CCc2cnccn2)cc1Cl ZINC000825456280 623697692 /nfs/dbraw/zinc/69/76/92/623697692.db2.gz TVWOZKQQUGHTJW-UHFFFAOYSA-N 0 1 291.782 2.819 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2cnccn2)cc1Cl ZINC000825456280 623697697 /nfs/dbraw/zinc/69/76/97/623697697.db2.gz TVWOZKQQUGHTJW-UHFFFAOYSA-N 0 1 291.782 2.819 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1Cl ZINC000825561852 623715964 /nfs/dbraw/zinc/71/59/64/623715964.db2.gz HSYUQFBKNQICCO-QWHCGFSZSA-N 0 1 269.772 2.603 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCn3ccnc3C2)cc1Cl ZINC000825563514 623716209 /nfs/dbraw/zinc/71/62/09/623716209.db2.gz YWGDVBVKCUTPLZ-LBPRGKRZSA-N 0 1 291.782 2.655 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CCOCC(F)F)cc1Cl ZINC000825666445 623733866 /nfs/dbraw/zinc/73/38/66/623733866.db2.gz JZMHOJPLSYDFPG-UHFFFAOYSA-N 0 1 279.714 2.725 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1Cl ZINC000825672026 623736154 /nfs/dbraw/zinc/73/61/54/623736154.db2.gz WXIGDVNDRXISMH-ZYHUDNBSSA-N 0 1 269.772 2.605 20 10 CFCDMN COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCO1 ZINC000825731291 623748105 /nfs/dbraw/zinc/74/81/05/623748105.db2.gz FRCLVPKXCHXXMK-DZGCQCFKSA-N 0 1 299.798 2.638 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC2CCC2)cc1Cl ZINC000825745015 623750138 /nfs/dbraw/zinc/75/01/38/623750138.db2.gz SXZMKOKVGJDFGK-CYBMUJFWSA-N 0 1 283.799 2.995 20 10 CFCDMN COc1cc(CN2CC(C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826113827 623795543 /nfs/dbraw/zinc/79/55/43/623795543.db2.gz QIXNSBIHJJJFHI-UHFFFAOYSA-N 0 1 293.407 2.513 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1Cl ZINC000826130049 623796953 /nfs/dbraw/zinc/79/69/53/623796953.db2.gz DFVACHHTLOAEGF-PWSUYJOCSA-N 0 1 283.799 2.804 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1Cl ZINC000826130049 623796956 /nfs/dbraw/zinc/79/69/56/623796956.db2.gz DFVACHHTLOAEGF-PWSUYJOCSA-N 0 1 283.799 2.804 20 10 CFCDMN C[C@@]1(C2CC2)CN(Cc2cc(F)ccc2O)CCO1 ZINC000826877880 623901261 /nfs/dbraw/zinc/90/12/61/623901261.db2.gz MWSKDIRVJOEBLL-HNNXBMFYSA-N 0 1 265.328 2.532 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c(Cl)c1 ZINC000827147702 623953944 /nfs/dbraw/zinc/95/39/44/623953944.db2.gz VTAYNUNCNGKMID-GHMZBOCLSA-N 0 1 283.799 2.803 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151536 623954009 /nfs/dbraw/zinc/95/40/09/623954009.db2.gz DQARAABMRVZWFR-HNNXBMFYSA-N 0 1 281.783 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151536 623954012 /nfs/dbraw/zinc/95/40/12/623954012.db2.gz DQARAABMRVZWFR-HNNXBMFYSA-N 0 1 281.783 2.783 20 10 CFCDMN C[C@@]12COC[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284748 623981463 /nfs/dbraw/zinc/98/14/63/623981463.db2.gz WGALRCBHUUDLJF-QMTHXVAHSA-N 0 1 267.756 2.514 20 10 CFCDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000827284748 623981466 /nfs/dbraw/zinc/98/14/66/623981466.db2.gz WGALRCBHUUDLJF-QMTHXVAHSA-N 0 1 267.756 2.514 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1Cl ZINC000827364626 623993438 /nfs/dbraw/zinc/99/34/38/623993438.db2.gz GJXSTCQRFHASKY-UONOGXRCSA-N 0 1 281.783 2.747 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827602311 624043771 /nfs/dbraw/zinc/04/37/71/624043771.db2.gz NGSHPYPVWJDVMS-ONGXEEELSA-N 0 1 285.746 2.653 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCC3(COC3)C2)cc1Cl ZINC000827643355 624050876 /nfs/dbraw/zinc/05/08/76/624050876.db2.gz IYEGTJIOYAHIEV-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCC3(COC3)C2)cc1Cl ZINC000827643355 624050881 /nfs/dbraw/zinc/05/08/81/624050881.db2.gz IYEGTJIOYAHIEV-UHFFFAOYSA-N 0 1 267.756 2.576 20 10 CFCDMN Oc1c(F)cc(Cl)cc1CN1CCc2nccnc2C1 ZINC000827692664 624066092 /nfs/dbraw/zinc/06/60/92/624066092.db2.gz LOSFGOUGRRKVIJ-UHFFFAOYSA-N 0 1 293.729 2.533 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]1(C)CO ZINC000827699125 624068826 /nfs/dbraw/zinc/06/88/26/624068826.db2.gz FKTMIXODYSZWJK-LKFCYVNXSA-N 0 1 287.762 2.635 20 10 CFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)CO ZINC000827699126 624069063 /nfs/dbraw/zinc/06/90/63/624069063.db2.gz FKTMIXODYSZWJK-OTYXRUKQSA-N 0 1 287.762 2.635 20 10 CFCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000170841713 624946989 /nfs/dbraw/zinc/94/69/89/624946989.db2.gz NVLUSBHUSBREEN-UHFFFAOYSA-N 0 1 297.354 2.923 20 10 CFCDMN COC(=O)C1(N(C)Cc2cc(F)ccc2O)CCCCC1 ZINC000180143096 624998399 /nfs/dbraw/zinc/99/83/99/624998399.db2.gz ADVFUZIPZBZNSZ-UHFFFAOYSA-N 0 1 295.354 2.839 20 10 CFCDMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1O ZINC000834893892 625912602 /nfs/dbraw/zinc/91/26/02/625912602.db2.gz IDSFAXOXIZWAQL-GVXVVHGQSA-N 0 1 257.337 2.945 20 10 CFCDMN C[C@@H]1C[C@H](N[C@@H]2CCc3cccc(O)c32)c2nccn21 ZINC000834896096 625912850 /nfs/dbraw/zinc/91/28/50/625912850.db2.gz UJVLIWDTHCLRLF-RTXFEEFZSA-N 0 1 269.348 2.872 20 10 CFCDMN OC[C@H](NCc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000922007864 626195865 /nfs/dbraw/zinc/19/58/65/626195865.db2.gz XPDQSWSWGJUEOZ-HNNXBMFYSA-N 0 1 289.400 2.896 20 10 CFCDMN COc1cc(C)cc(CN2CCOC[C@@H]2CC(C)C)c1O ZINC000164334113 626409859 /nfs/dbraw/zinc/40/98/59/626409859.db2.gz ACLKOFDAGJWAAL-HNNXBMFYSA-N 0 1 293.407 2.956 20 10 CFCDMN CN(Cc1cnc(C2CC2)nc1)Cc1ccccc1O ZINC000838800333 626505677 /nfs/dbraw/zinc/50/56/77/626505677.db2.gz YKTRLZVLGWYDED-UHFFFAOYSA-N 0 1 269.348 2.692 20 10 CFCDMN COc1ccc(O)c([C@@H](C)NCc2ccncc2F)c1 ZINC000838912202 626513459 /nfs/dbraw/zinc/51/34/59/626513459.db2.gz DHNTVYYGYCWDHG-SNVBAGLBSA-N 0 1 276.311 2.786 20 10 CFCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccn(C)n2)c1 ZINC000840816506 626513798 /nfs/dbraw/zinc/51/37/98/626513798.db2.gz OPFFDDWKXHWZKH-NWDGAFQWSA-N 0 1 259.353 2.846 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C)c2ccn(C)n2)c(O)c1 ZINC000840817504 626523056 /nfs/dbraw/zinc/52/30/56/626523056.db2.gz UWNSVVKCBISFIU-NWDGAFQWSA-N 0 1 259.353 2.846 20 10 CFCDMN CN(C)c1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1F ZINC000839188112 626530304 /nfs/dbraw/zinc/53/03/04/626530304.db2.gz ZHVHSWRFBLHHEB-CJNGLKHVSA-N 0 1 278.371 2.503 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2CS3)c1O ZINC000839192112 626530744 /nfs/dbraw/zinc/53/07/44/626530744.db2.gz LBZNSRUGGQOMHH-QWRGUYRKSA-N 0 1 285.796 2.744 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000839193065 626530886 /nfs/dbraw/zinc/53/08/86/626530886.db2.gz YEFRVBNQUGVKDO-MNOVXSKESA-N 0 1 275.352 2.546 20 10 CFCDMN COc1cccc(O)c1CNCc1ccc(C)c(C)n1 ZINC000839163725 626531543 /nfs/dbraw/zinc/53/15/43/626531543.db2.gz KHJBWYRHKAZRQW-UHFFFAOYSA-N 0 1 272.348 2.702 20 10 CFCDMN CC[C@H](N[C@@H](C)c1ncnn1C)c1cc(Cl)ccc1O ZINC000788984591 626538574 /nfs/dbraw/zinc/53/85/74/626538574.db2.gz SBEAVDILCUOWEF-CABZTGNLSA-N 0 1 294.786 2.976 20 10 CFCDMN CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804870599 626538993 /nfs/dbraw/zinc/53/89/93/626538993.db2.gz FBQQVOOVWDIXAB-UHFFFAOYSA-N 0 1 277.151 2.908 20 10 CFCDMN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760036267 626710829 /nfs/dbraw/zinc/71/08/29/626710829.db2.gz FCTSIXLUDXQLBU-VXNVDRBHSA-N 0 1 279.714 2.712 20 10 CFCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC(O)C1 ZINC000761223908 626817289 /nfs/dbraw/zinc/81/72/89/626817289.db2.gz USPIETYOQXPPCA-UHFFFAOYSA-N 0 1 276.163 2.654 20 10 CFCDMN CCCN(Cc1ccccc1O)Cc1nc(C)cc(=O)[nH]1 ZINC000761863939 626865972 /nfs/dbraw/zinc/86/59/72/626865972.db2.gz FBVNYWIQSXHMNM-UHFFFAOYSA-N 0 1 287.363 2.608 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)C1CCCC1 ZINC000768137455 627319549 /nfs/dbraw/zinc/31/95/49/627319549.db2.gz LJYYPJJGIATBMK-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)C1CCCC1 ZINC000768137455 627319551 /nfs/dbraw/zinc/31/95/51/627319551.db2.gz LJYYPJJGIATBMK-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](C)OC(C)(C)C2)c(O)c1 ZINC000769100657 627402973 /nfs/dbraw/zinc/40/29/73/627402973.db2.gz MOWCXXVRWOZAGV-GFCCVEGCSA-N 0 1 279.380 2.790 20 10 CFCDMN COc1cccc(O)c1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000769319940 627423990 /nfs/dbraw/zinc/42/39/90/627423990.db2.gz FYDDEYZBFDRWEU-UHFFFAOYSA-N 0 1 298.386 2.853 20 10 CFCDMN CCN(C)c1ccc(CN[C@H](CCO)c2ccco2)cc1 ZINC000773858650 627865380 /nfs/dbraw/zinc/86/53/80/627865380.db2.gz MYVOHRHUVZGNLI-MRXNPFEDSA-N 0 1 288.391 2.949 20 10 CFCDMN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000774831628 627968810 /nfs/dbraw/zinc/96/88/10/627968810.db2.gz IEWQAFJQVFUDPK-YGRLFVJLSA-N 0 1 269.772 2.950 20 10 CFCDMN CC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774852392 627971696 /nfs/dbraw/zinc/97/16/96/627971696.db2.gz JDQCOZJLMAWGSD-LLVKDONJSA-N 0 1 280.324 2.683 20 10 CFCDMN COc1c(O)c(C[N@H+]2CC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942725 627980824 /nfs/dbraw/zinc/98/08/24/627980824.db2.gz TZQBRRHOFXCAQI-LLVKDONJSA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942725 627980827 /nfs/dbraw/zinc/98/08/27/627980827.db2.gz TZQBRRHOFXCAQI-LLVKDONJSA-N 0 1 280.324 2.539 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774942725 627980830 /nfs/dbraw/zinc/98/08/30/627980830.db2.gz TZQBRRHOFXCAQI-LLVKDONJSA-N 0 1 280.324 2.539 20 10 CFCDMN C[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000775136532 627996218 /nfs/dbraw/zinc/99/62/18/627996218.db2.gz KRABZZBSCXCDKX-CYBMUJFWSA-N 0 1 294.358 2.824 20 10 CFCDMN CC[C@H](NCc1nncn1CC)c1cc(Cl)ccc1O ZINC000775488706 628030644 /nfs/dbraw/zinc/03/06/44/628030644.db2.gz RKPAEPNAVBRQRN-LBPRGKRZSA-N 0 1 294.786 2.898 20 10 CFCDMN CC[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000775493802 628031717 /nfs/dbraw/zinc/03/17/17/628031717.db2.gz VMEIJCGDVSOUQA-YPMHNXCESA-N 0 1 285.771 2.502 20 10 CFCDMN CC[C@@H]([NH2+]CC[S@](=O)CC)c1cc(Cl)ccc1[O-] ZINC000775504260 628032224 /nfs/dbraw/zinc/03/22/24/628032224.db2.gz WQXZWEZIWTZDKO-KZULUSFZSA-N 0 1 289.828 2.855 20 10 CFCDMN CC[C@H]([NH2+]CC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000775514106 628033123 /nfs/dbraw/zinc/03/31/23/628033123.db2.gz WBQFMPSBKUUABU-LBPRGKRZSA-N 0 1 269.772 2.859 20 10 CFCDMN CC[C@@H]([NH2+]CCn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775518093 628034001 /nfs/dbraw/zinc/03/40/01/628034001.db2.gz CKNBCNWXUDBIRM-CYBMUJFWSA-N 0 1 279.771 2.983 20 10 CFCDMN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)ccc1[O-] ZINC000775524800 628034030 /nfs/dbraw/zinc/03/40/30/628034030.db2.gz IMOTVLFURCZXGJ-NSHDSACASA-N 0 1 284.787 2.598 20 10 CFCDMN CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775555956 628036927 /nfs/dbraw/zinc/03/69/27/628036927.db2.gz TXHZKCNZVDMEES-DZGCQCFKSA-N 0 1 299.798 2.892 20 10 CFCDMN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nccn1C ZINC000775578773 628042897 /nfs/dbraw/zinc/04/28/97/628042897.db2.gz ZZBJRWGNVCULLN-STQMWFEESA-N 0 1 272.396 2.898 20 10 CFCDMN CCCN(CC(=O)OC)Cc1cc(Cl)cc(F)c1O ZINC000775633035 628047746 /nfs/dbraw/zinc/04/77/46/628047746.db2.gz FAFNBGOZMNSKJF-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN CCOC(=O)CN(CC)Cc1cc(Cl)cc(F)c1O ZINC000775664501 628052290 /nfs/dbraw/zinc/05/22/90/628052290.db2.gz WTKKNGULTGFKFG-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000775679362 628054267 /nfs/dbraw/zinc/05/42/67/628054267.db2.gz YKHDPFQWGIJRRR-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981438 628090004 /nfs/dbraw/zinc/09/00/04/628090004.db2.gz QPJJPPVHCZZSIW-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775981438 628090006 /nfs/dbraw/zinc/09/00/06/628090006.db2.gz QPJJPPVHCZZSIW-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775981438 628090010 /nfs/dbraw/zinc/09/00/10/628090010.db2.gz QPJJPPVHCZZSIW-WDEREUQCSA-N 0 1 268.788 2.570 20 10 CFCDMN CN(Cc1ccsc1)Cc1cc2c(cc1O)OCO2 ZINC000008184937 634640714 /nfs/dbraw/zinc/64/07/14/634640714.db2.gz BJNUBLJAZGSOED-UHFFFAOYSA-N 0 1 277.345 2.814 20 10 CFCDMN COc1cccc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000779149604 628355871 /nfs/dbraw/zinc/35/58/71/628355871.db2.gz NNFOPFAWLHPOJC-PWSUYJOCSA-N 0 1 253.317 2.581 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCSCC1 ZINC000780892488 628503075 /nfs/dbraw/zinc/50/30/75/628503075.db2.gz GVECUWOOUZIDRN-UHFFFAOYSA-N 0 1 257.786 2.985 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCSCC1 ZINC000780892488 628503072 /nfs/dbraw/zinc/50/30/72/628503072.db2.gz GVECUWOOUZIDRN-UHFFFAOYSA-N 0 1 257.786 2.985 20 10 CFCDMN COc1cc(C)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783541304 628718750 /nfs/dbraw/zinc/71/87/50/628718750.db2.gz GHYVDHQDPSTRRO-AVGNSLFASA-N 0 1 279.380 2.707 20 10 CFCDMN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cc(Cl)ccc1[O-] ZINC000788981503 629113461 /nfs/dbraw/zinc/11/34/61/629113461.db2.gz CUWSJDUYMLBOCX-ZWNOBZJWSA-N 0 1 298.814 2.953 20 10 CFCDMN CCC[C@@](C)([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000789897152 629195379 /nfs/dbraw/zinc/19/53/79/629195379.db2.gz FTAFLCQHKOQLKD-CYBMUJFWSA-N 0 1 289.734 2.918 20 10 CFCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1c[nH]nn1 ZINC000789925830 629197202 /nfs/dbraw/zinc/19/72/02/629197202.db2.gz KKDJNISSDIYURE-UHFFFAOYSA-N 0 1 295.346 2.773 20 10 CFCDMN Cc1cc(CNC/C=C\c2ccc(N(C)C)cc2)on1 ZINC000835042146 629337291 /nfs/dbraw/zinc/33/72/91/629337291.db2.gz DNNTXGANKZBBPI-PLNGDYQASA-N 0 1 271.364 2.852 20 10 CFCDMN Cc1nnsc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835055949 629358455 /nfs/dbraw/zinc/35/84/55/629358455.db2.gz QHGLWJWVIBLFQO-SNAWJCMRSA-N 0 1 288.420 2.716 20 10 CFCDMN CCCN(CC(=O)OC)Cc1c(O)ccc(Cl)c1F ZINC000792163761 629404280 /nfs/dbraw/zinc/40/42/80/629404280.db2.gz ZUTYWXNUOMWCIW-UHFFFAOYSA-N 0 1 289.734 2.570 20 10 CFCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180324 629406413 /nfs/dbraw/zinc/40/64/13/629406413.db2.gz QILYWPBQHUJCII-AWEZNQCLSA-N 0 1 287.762 2.922 20 10 CFCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793249154 629512887 /nfs/dbraw/zinc/51/28/87/629512887.db2.gz DTKWGSIARSRWRA-CQSZACIVSA-N 0 1 287.762 2.922 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2cnc(C)cn2)c1 ZINC000794462949 629648595 /nfs/dbraw/zinc/64/85/95/629648595.db2.gz SYOVXVIDPQHWBV-NWDGAFQWSA-N 0 1 287.363 2.911 20 10 CFCDMN COc1c(O)c(C[N@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000796020208 629864531 /nfs/dbraw/zinc/86/45/31/629864531.db2.gz KAKSLTANEHDHTH-UHFFFAOYSA-N 0 1 292.335 2.851 20 10 CFCDMN COc1c([O-])c(C[N@@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000796020208 629864534 /nfs/dbraw/zinc/86/45/34/629864534.db2.gz KAKSLTANEHDHTH-UHFFFAOYSA-N 0 1 292.335 2.851 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000796020208 629864536 /nfs/dbraw/zinc/86/45/36/629864536.db2.gz KAKSLTANEHDHTH-UHFFFAOYSA-N 0 1 292.335 2.851 20 10 CFCDMN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)OCC ZINC000801596488 630461369 /nfs/dbraw/zinc/46/13/69/630461369.db2.gz BGTBRYUTFBAFFX-ZDUSSCGKSA-N 0 1 279.380 2.946 20 10 CFCDMN CC1CN(Cc2cc(Br)ccc2O)C1 ZINC000802650928 630535095 /nfs/dbraw/zinc/53/50/95/630535095.db2.gz FIKBNYPGTGXYCR-UHFFFAOYSA-N 0 1 256.143 2.606 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCO[C@H](C(F)F)C1 ZINC000802653762 630536123 /nfs/dbraw/zinc/53/61/23/630536123.db2.gz SHFYUSZGAMDPLO-JTQLQIEISA-N 0 1 277.698 2.512 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CC2=CCSC2)c1O ZINC000852747667 634821783 /nfs/dbraw/zinc/82/17/83/634821783.db2.gz RYKQEOCTDHXSKK-UHFFFAOYSA-N 0 1 295.379 2.839 20 10 CFCDMN CC(=O)c1cc(F)cc(CN(C)CC2=CCSC2)c1O ZINC000852747667 634821788 /nfs/dbraw/zinc/82/17/88/634821788.db2.gz RYKQEOCTDHXSKK-UHFFFAOYSA-N 0 1 295.379 2.839 20 10 CFCDMN Cc1cc(Cl)cc([C@H](C)NCc2cc[nH]n2)c1O ZINC000808694070 631029946 /nfs/dbraw/zinc/02/99/46/631029946.db2.gz ZXVWMWVPSRLCIS-VIFPVBQESA-N 0 1 265.744 2.928 20 10 CFCDMN CCn1ccc(CN[C@@H](C)c2cc(F)ccc2O)n1 ZINC000840840741 631237293 /nfs/dbraw/zinc/23/72/93/631237293.db2.gz NXRSDAXMEZVRKQ-JTQLQIEISA-N 0 1 263.316 2.599 20 10 CFCDMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)c1csnn1 ZINC000840886077 631251271 /nfs/dbraw/zinc/25/12/71/631251271.db2.gz NFEREBXDXGHUKG-NKWVEPMBSA-N 0 1 285.319 2.934 20 10 CFCDMN COC(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840903738 631256439 /nfs/dbraw/zinc/25/64/39/631256439.db2.gz IDOXUNBSFFQWRT-UHFFFAOYSA-N 0 1 257.761 2.869 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)C(C)C)c(Cl)c1 ZINC000840904075 631256499 /nfs/dbraw/zinc/25/64/99/631256499.db2.gz JVLHEQQELKQWLX-CYBMUJFWSA-N 0 1 271.788 2.851 20 10 CFCDMN Cc1cc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)c(Cl)c1 ZINC000840917808 631264928 /nfs/dbraw/zinc/26/49/28/631264928.db2.gz NCSCRKSWCICHFX-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN Cc1cc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c(Cl)c1 ZINC000840917808 631264932 /nfs/dbraw/zinc/26/49/32/631264932.db2.gz NCSCRKSWCICHFX-NSHDSACASA-N 0 1 269.772 2.822 20 10 CFCDMN CCc1nc([C@H](C)NCc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840936542 631268910 /nfs/dbraw/zinc/26/89/10/631268910.db2.gz KNAUEBDSVHJHNN-LBPRGKRZSA-N 0 1 287.411 2.592 20 10 CFCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CC2)c(Cl)c1 ZINC000840938454 631270501 /nfs/dbraw/zinc/27/05/01/631270501.db2.gz FIMLSKMUSHTOJE-UHFFFAOYSA-N 0 1 269.772 2.606 20 10 CFCDMN Cc1nnsc1CNCc1c(O)cc(C)cc1Cl ZINC000840950955 631278412 /nfs/dbraw/zinc/27/84/12/631278412.db2.gz USEZLVWIVBQFQC-UHFFFAOYSA-N 0 1 283.784 2.804 20 10 CFCDMN Cc1cc([O-])c(C[NH+]2CC3(C2)CCCOC3)c(Cl)c1 ZINC000840953473 631281603 /nfs/dbraw/zinc/28/16/03/631281603.db2.gz SBHNJCAOKFNBQX-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN Cc1cc(O)c(CN2CC3(C2)CCCOC3)c(Cl)c1 ZINC000840953473 631281611 /nfs/dbraw/zinc/28/16/11/631281611.db2.gz SBHNJCAOKFNBQX-UHFFFAOYSA-N 0 1 281.783 2.966 20 10 CFCDMN CN(CC[N@@H+](C)C1CC1)Cc1c([O-])ccc(Cl)c1F ZINC000809755457 631283864 /nfs/dbraw/zinc/28/38/64/631283864.db2.gz QWMBIZUIORBSER-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(C)C ZINC000840967799 631289044 /nfs/dbraw/zinc/28/90/44/631289044.db2.gz RHJRSSISTWPFCT-TZMCWYRMSA-N 0 1 271.788 2.931 20 10 CFCDMN COc1c([O-])c(C[N@H+]2CC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000840970721 631290193 /nfs/dbraw/zinc/29/01/93/631290193.db2.gz WQVCPMTZLWSSGC-JTQLQIEISA-N 0 1 294.351 2.929 20 10 CFCDMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000840975283 631291748 /nfs/dbraw/zinc/29/17/48/631291748.db2.gz FFWMBNWITSHZCQ-LBPRGKRZSA-N 0 1 296.798 2.535 20 10 CFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000840979110 631292863 /nfs/dbraw/zinc/29/28/63/631292863.db2.gz RMJSBAUBOKDQHT-NEPJUHHUSA-N 0 1 283.799 2.995 20 10 CFCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000840996652 631296864 /nfs/dbraw/zinc/29/68/64/631296864.db2.gz GCELXFZUSZYOLX-LLVKDONJSA-N 0 1 282.359 2.577 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1O ZINC000840997738 631297696 /nfs/dbraw/zinc/29/76/96/631297696.db2.gz IXUFURXMBXEXDL-BPNCWPANSA-N 0 1 293.338 2.749 20 10 CFCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(F)c1O ZINC000840997738 631297701 /nfs/dbraw/zinc/29/77/01/631297701.db2.gz IXUFURXMBXEXDL-BPNCWPANSA-N 0 1 293.338 2.749 20 10 CFCDMN CN1CCN(c2ccc(CNc3ccc(N)cc3)cc2)CC1 ZINC000841040685 631317159 /nfs/dbraw/zinc/31/71/59/631317159.db2.gz XKNONKOXBCVTDF-UHFFFAOYSA-N 0 1 296.418 2.633 20 10 CFCDMN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000841750682 631464102 /nfs/dbraw/zinc/46/41/02/631464102.db2.gz ABZCHGGJRLCYEG-APPZFPTMSA-N 0 1 279.714 2.712 20 10 CFCDMN CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841748653 631464474 /nfs/dbraw/zinc/46/44/74/631464474.db2.gz LUQHNGQRNIFHKH-PWSUYJOCSA-N 0 1 296.798 2.706 20 10 CFCDMN C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841753052 631466384 /nfs/dbraw/zinc/46/63/84/631466384.db2.gz XMWSXUCOLFVYIV-CABZTGNLSA-N 0 1 269.772 2.857 20 10 CFCDMN C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841753402 631466565 /nfs/dbraw/zinc/46/65/65/631466565.db2.gz ZOHHMWDSOHSMQH-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN C[C@H](NCc1ccn(C)n1)c1ccc(Cl)cc1O ZINC000841753402 631466570 /nfs/dbraw/zinc/46/65/70/631466570.db2.gz ZOHHMWDSOHSMQH-VIFPVBQESA-N 0 1 265.744 2.630 20 10 CFCDMN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841761138 631468931 /nfs/dbraw/zinc/46/89/31/631468931.db2.gz WNFVLTBJWAVRTR-ZYHUDNBSSA-N 0 1 296.798 2.707 20 10 CFCDMN CCn1cncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000841828265 631477387 /nfs/dbraw/zinc/47/73/87/631477387.db2.gz VTNCGJCJJFIBQH-UHFFFAOYSA-N 0 1 272.396 2.601 20 10 CFCDMN CC(C)[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCOC1 ZINC000812290610 631685569 /nfs/dbraw/zinc/68/55/69/631685569.db2.gz HKQBCFIVEOGXBM-CQSZACIVSA-N 0 1 286.375 2.940 20 10 CFCDMN CC(C)[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCOC1 ZINC000812290610 631685572 /nfs/dbraw/zinc/68/55/72/631685572.db2.gz HKQBCFIVEOGXBM-CQSZACIVSA-N 0 1 286.375 2.940 20 10 CFCDMN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039085 631809501 /nfs/dbraw/zinc/80/95/01/631809501.db2.gz ANISFBVENDLRRW-NOZJJQNGSA-N 0 1 297.782 2.897 20 10 CFCDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000843041137 631810701 /nfs/dbraw/zinc/81/07/01/631810701.db2.gz OVQHOTUKXZVCTM-IINYFYTJSA-N 0 1 277.364 2.552 20 10 CFCDMN [O-]c1c(F)cccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047895 631813867 /nfs/dbraw/zinc/81/38/67/631813867.db2.gz AHNGPLAZASDUJM-LSDHHAIUSA-N 0 1 278.371 2.638 20 10 CFCDMN C[C@@H]1CC[C@@H](C)N1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843162439 631872342 /nfs/dbraw/zinc/87/23/42/631872342.db2.gz XAXYRBDRBDCUCB-VXGBXAGGSA-N 0 1 286.379 2.615 20 10 CFCDMN CCOc1cccc(CN2CCOC[C@@H]2C2CCC2)c1O ZINC000843429501 631956126 /nfs/dbraw/zinc/95/61/26/631956126.db2.gz XIJJZYIMHOFNRZ-OAHLLOKOSA-N 0 1 291.391 2.792 20 10 CFCDMN CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)[C@H](C)CO1 ZINC000844733292 632291396 /nfs/dbraw/zinc/29/13/96/632291396.db2.gz SDCXXBJBNXZLFM-OCCSQVGLSA-N 0 1 279.380 2.709 20 10 CFCDMN CCN(CC)c1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844937886 632341933 /nfs/dbraw/zinc/34/19/33/632341933.db2.gz ZJUFLCSXQXQBNB-UHFFFAOYSA-N 0 1 290.407 2.829 20 10 CFCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000844939010 632343012 /nfs/dbraw/zinc/34/30/12/632343012.db2.gz YBBBRXAVCGCWRA-CQSZACIVSA-N 0 1 296.386 2.967 20 10 CFCDMN C[C@@H](O)CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816513178 632475029 /nfs/dbraw/zinc/47/50/29/632475029.db2.gz IYSNNDJUCCJTLP-GFCCVEGCSA-N 0 1 259.349 2.748 20 10 CFCDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816513178 632475031 /nfs/dbraw/zinc/47/50/31/632475031.db2.gz IYSNNDJUCCJTLP-GFCCVEGCSA-N 0 1 259.349 2.748 20 10 CFCDMN Oc1c(CNCc2cc[nH]n2)ccc2ccccc21 ZINC000816532032 632479032 /nfs/dbraw/zinc/47/90/32/632479032.db2.gz OLQSIFBUYCAVAF-UHFFFAOYSA-N 0 1 253.305 2.558 20 10 CFCDMN C[C@H](O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566533 632486536 /nfs/dbraw/zinc/48/65/36/632486536.db2.gz YELDJVROPNZCDF-JSGCOSHPSA-N 0 1 271.360 2.748 20 10 CFCDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816566533 632486543 /nfs/dbraw/zinc/48/65/43/632486543.db2.gz YELDJVROPNZCDF-JSGCOSHPSA-N 0 1 271.360 2.748 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000816574728 632488156 /nfs/dbraw/zinc/48/81/56/632488156.db2.gz PZGZOVYISDSCCG-JTQLQIEISA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000816601047 632493083 /nfs/dbraw/zinc/49/30/83/632493083.db2.gz PQYQHKSGPUCTLJ-QMMMGPOBSA-N 0 1 295.688 2.998 20 10 CFCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)C1CC1 ZINC000816610919 632493798 /nfs/dbraw/zinc/49/37/98/632493798.db2.gz CKCQUXPWFLNANL-MRXNPFEDSA-N 0 1 271.360 2.748 20 10 CFCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)C1CC1 ZINC000816610919 632493802 /nfs/dbraw/zinc/49/38/02/632493802.db2.gz CKCQUXPWFLNANL-MRXNPFEDSA-N 0 1 271.360 2.748 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630443 632496904 /nfs/dbraw/zinc/49/69/04/632496904.db2.gz DTFUMKIEEXKOMG-CQSZACIVSA-N 0 1 281.783 2.925 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630443 632496907 /nfs/dbraw/zinc/49/69/07/632496907.db2.gz DTFUMKIEEXKOMG-CQSZACIVSA-N 0 1 281.783 2.925 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667674 632510162 /nfs/dbraw/zinc/51/01/62/632510162.db2.gz UBHOVZFEASJCRC-NSHDSACASA-N 0 1 273.735 2.532 20 10 CFCDMN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846016708 632615418 /nfs/dbraw/zinc/61/54/18/632615418.db2.gz IUWDZKHNGORFGE-GWCFXTLKSA-N 0 1 271.788 2.932 20 10 CFCDMN CCOc1ccc(CN2C[C@@H](CC)OC[C@@H]2C)c(O)c1 ZINC000846043841 632622250 /nfs/dbraw/zinc/62/22/50/632622250.db2.gz NCJGIOQRWLTOOL-GXTWGEPZSA-N 0 1 279.380 2.790 20 10 CFCDMN C[C@H](CCn1cccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055854 632625081 /nfs/dbraw/zinc/62/50/81/632625081.db2.gz QITFLKCPVXTFLB-LLVKDONJSA-N 0 1 279.771 2.811 20 10 CFCDMN COc1cc(Cl)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846111074 632634170 /nfs/dbraw/zinc/63/41/70/632634170.db2.gz KBGIYNWANFJJMG-AOOOYVTPSA-N 0 1 289.709 2.751 20 10 CFCDMN CCOc1ccc(O)c(CN2CCC[C@@H](F)C2)c1 ZINC000846120817 632640323 /nfs/dbraw/zinc/64/03/23/632640323.db2.gz SQIRSRWHAGYRQZ-GFCCVEGCSA-N 0 1 253.317 2.725 20 10 CFCDMN COc1cccc([C@H](C)NCc2cc(C)no2)c1O ZINC000846144405 632646040 /nfs/dbraw/zinc/64/60/40/632646040.db2.gz JASSRNLNEGDPMU-JTQLQIEISA-N 0 1 262.309 2.548 20 10 CFCDMN CC[C@@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000846207143 632660666 /nfs/dbraw/zinc/66/06/66/632660666.db2.gz YXXCDEKCQWXQQV-CYBMUJFWSA-N 0 1 296.798 2.709 20 10 CFCDMN CC[C@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000846207145 632661030 /nfs/dbraw/zinc/66/10/30/632661030.db2.gz YXXCDEKCQWXQQV-ZDUSSCGKSA-N 0 1 296.798 2.709 20 10 CFCDMN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000817587566 632672258 /nfs/dbraw/zinc/67/22/58/632672258.db2.gz YULASDNQGNBKLM-LBPRGKRZSA-N 0 1 296.798 2.742 20 10 CFCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846277871 632681395 /nfs/dbraw/zinc/68/13/95/632681395.db2.gz JXOPDMXDIPGNNM-ZDUSSCGKSA-N 0 1 278.396 2.746 20 10 CFCDMN CC[C@@H]([NH2+]CC1(N)CCC1)c1cccc(Cl)c1[O-] ZINC000817964820 632763347 /nfs/dbraw/zinc/76/33/47/632763347.db2.gz KDRWPVNTFHGDKW-GFCCVEGCSA-N 0 1 268.788 2.968 20 10 CFCDMN CC[C@H](N)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000817979707 632776933 /nfs/dbraw/zinc/77/69/33/632776933.db2.gz NIMMLSSPORGKGM-CABZTGNLSA-N 0 1 256.777 2.824 20 10 CFCDMN CC[C@@H](N)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000817979711 632777048 /nfs/dbraw/zinc/77/70/48/632777048.db2.gz NIMMLSSPORGKGM-SKDRFNHKSA-N 0 1 256.777 2.824 20 10 CFCDMN Cc1ncncc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000848524158 633276170 /nfs/dbraw/zinc/27/61/70/633276170.db2.gz BQKPIXITKNPPAW-LLVKDONJSA-N 0 1 288.370 2.841 20 10 CFCDMN CN1CCCc2cc(CN[C@@H]3CCCn4ccnc43)ccc21 ZINC000848526439 633276681 /nfs/dbraw/zinc/27/66/81/633276681.db2.gz XLQUSFRMSVHRNE-MRXNPFEDSA-N 0 1 296.418 2.890 20 10 CFCDMN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848639688 633305744 /nfs/dbraw/zinc/30/57/44/633305744.db2.gz JCRAXVCMVQHDRP-UHFFFAOYSA-N 0 1 290.407 2.972 20 10 CFCDMN CCc1cccc(CN2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000848888269 633363233 /nfs/dbraw/zinc/36/32/33/633363233.db2.gz QJAVWNMGSIWDHJ-HNNXBMFYSA-N 0 1 291.391 2.871 20 10 CFCDMN CCc1cccc(CN(CCO)Cc2ccc(C)o2)c1O ZINC000848908052 633394122 /nfs/dbraw/zinc/39/41/22/633394122.db2.gz MFBHZZONDXWCJY-UHFFFAOYSA-N 0 1 289.375 2.851 20 10 CFCDMN COc1cncc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000850099680 633841178 /nfs/dbraw/zinc/84/11/78/633841178.db2.gz TUEZCQNBJJQEPE-UHFFFAOYSA-N 0 1 289.354 2.585 20 10 CFCDMN CC[C@@H](COC)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000850152202 633856891 /nfs/dbraw/zinc/85/68/91/633856891.db2.gz LEPGHDONTMKIPM-JTQLQIEISA-N 0 1 257.761 2.869 20 10 CFCDMN CN(C)c1ccc(CNCc2ccns2)cc1F ZINC000858211621 636156201 /nfs/dbraw/zinc/15/62/01/636156201.db2.gz FALPUXKDFQSPCN-UHFFFAOYSA-N 0 1 265.357 2.638 20 10 CFCDMN CC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000850530759 634037319 /nfs/dbraw/zinc/03/73/19/634037319.db2.gz CLFSRAWQASQCOU-PSASIEDQSA-N 0 1 288.185 2.576 20 10 CFCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000850578044 634057910 /nfs/dbraw/zinc/05/79/10/634057910.db2.gz GBCQZJNDUOCCOY-DRZSPHRISA-N 0 1 257.333 2.719 20 10 CFCDMN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000850578289 634058295 /nfs/dbraw/zinc/05/82/95/634058295.db2.gz JCUCQUAFYOVEEI-CKYFFXLPSA-N 0 1 255.745 2.610 20 10 CFCDMN CCC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770352 634233494 /nfs/dbraw/zinc/23/34/94/634233494.db2.gz IMSYDEYVSSNCAM-OLZOCXBDSA-N 0 1 278.396 2.517 20 10 CFCDMN CN1CC(C[N@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000853555732 635035364 /nfs/dbraw/zinc/03/53/64/635035364.db2.gz OEYPKUUBBTXFOM-UHFFFAOYSA-N 0 1 270.376 2.539 20 10 CFCDMN CN1CC(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000853555732 635035365 /nfs/dbraw/zinc/03/53/65/635035365.db2.gz OEYPKUUBBTXFOM-UHFFFAOYSA-N 0 1 270.376 2.539 20 10 CFCDMN CC(C)C[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113330969 635554466 /nfs/dbraw/zinc/55/44/66/635554466.db2.gz JCPAOMSDIZNGAU-JTQLQIEISA-N 0 1 257.761 2.542 20 10 CFCDMN Cn1cc(CNCc2cc(Cl)ccc2O)c(Cl)n1 ZINC000857049227 635918176 /nfs/dbraw/zinc/91/81/76/635918176.db2.gz HSHSGQQEHJVJIF-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(Cl)n1 ZINC000857049227 635918177 /nfs/dbraw/zinc/91/81/77/635918177.db2.gz HSHSGQQEHJVJIF-UHFFFAOYSA-N 0 1 286.162 2.722 20 10 CFCDMN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858471121 636258520 /nfs/dbraw/zinc/25/85/20/636258520.db2.gz BIBASXMUKWPSTM-BXKDBHETSA-N 0 1 295.766 2.958 20 10 CFCDMN CCC(F)(F)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858506674 636276089 /nfs/dbraw/zinc/27/60/89/636276089.db2.gz ILHPHMFJROPYJE-MRVPVSSYSA-N 0 1 274.267 2.996 20 10 CFCDMN CCOC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000159213290 650251683 /nfs/dbraw/zinc/25/16/83/650251683.db2.gz AMKULFIMXPNLKI-UHFFFAOYSA-N 0 1 257.761 2.950 20 10 CFCDMN CN(C)c1cc(F)c(CN2CCC[C@@H](CCO)C2)cc1F ZINC000862240947 637295552 /nfs/dbraw/zinc/29/55/52/637295552.db2.gz QGUCMKUMMHVSBD-LBPRGKRZSA-N 0 1 298.377 2.625 20 10 CFCDMN COC[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244995 637297672 /nfs/dbraw/zinc/29/76/72/637297672.db2.gz WLNYYTSLDWOJPQ-LBPRGKRZSA-N 0 1 298.377 2.889 20 10 CFCDMN C[C@@H](O)[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301600 637318077 /nfs/dbraw/zinc/31/80/77/637318077.db2.gz GNKZCTWQFAUVQX-VXGBXAGGSA-N 0 1 298.377 2.624 20 10 CFCDMN Cc1cc(N(C)C)ccc1CNCc1ccns1 ZINC000862434936 637376587 /nfs/dbraw/zinc/37/65/87/637376587.db2.gz KSYNICOGEDWQKZ-UHFFFAOYSA-N 0 1 261.394 2.807 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000863738850 637766402 /nfs/dbraw/zinc/76/64/02/637766402.db2.gz FSUQRPXZAGLUFN-OCCSQVGLSA-N 0 1 277.364 2.552 20 10 CFCDMN CO[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1C ZINC000189257466 650369945 /nfs/dbraw/zinc/36/99/45/650369945.db2.gz YXRLQMNIESRIDM-BONVTDFDSA-N 0 1 295.354 2.591 20 10 CFCDMN C[C@@]1(C2CC2)C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000864051279 637844511 /nfs/dbraw/zinc/84/45/11/637844511.db2.gz FTORTPHWVHYYGV-HNNXBMFYSA-N 0 1 283.318 2.671 20 10 CFCDMN C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000864051279 637844519 /nfs/dbraw/zinc/84/45/19/637844519.db2.gz FTORTPHWVHYYGV-HNNXBMFYSA-N 0 1 283.318 2.671 20 10 CFCDMN CCCn1cc(CN(C)Cc2ccccc2O)cn1 ZINC000120051278 637983932 /nfs/dbraw/zinc/98/39/32/637983932.db2.gz DACJRWNREWILCD-UHFFFAOYSA-N 0 1 259.353 2.631 20 10 CFCDMN CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612119 650673680 /nfs/dbraw/zinc/67/36/80/650673680.db2.gz XSVNRDKCLUGTBB-PKNBQFBNSA-N 0 1 294.358 2.577 20 10 CFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])CC1CCOCC1 ZINC000124598590 642271867 /nfs/dbraw/zinc/27/18/67/642271867.db2.gz PXNKZYNBCGTFBE-UHFFFAOYSA-N 0 1 269.772 2.904 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@@H+](CCCCO)C1CC1 ZINC000125694230 642737137 /nfs/dbraw/zinc/73/71/37/642737137.db2.gz TXEWEESEWAEVGF-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN [O-]c1cccc(Cl)c1C[N@H+](CCCCO)C1CC1 ZINC000125694230 642737141 /nfs/dbraw/zinc/73/71/41/642737141.db2.gz TXEWEESEWAEVGF-UHFFFAOYSA-N 0 1 269.772 2.783 20 10 CFCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000086784040 650797524 /nfs/dbraw/zinc/79/75/24/650797524.db2.gz RTPGHBCFTMGWFQ-KRWDZBQOSA-N 0 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ZINC001236805845 778947218 /nfs/dbraw/zinc/94/72/18/778947218.db2.gz FTXYNEIYOLEBTE-PWSUYJOCSA-N 0 1 297.782 2.665 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001236805141 778947409 /nfs/dbraw/zinc/94/74/09/778947409.db2.gz VQDAGKIFEJUVGZ-JTQLQIEISA-N 0 1 287.190 2.589 20 10 CFCDMN [O-]c1cc(Cl)c(Cl)cc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001236805141 778947411 /nfs/dbraw/zinc/94/74/11/778947411.db2.gz VQDAGKIFEJUVGZ-JTQLQIEISA-N 0 1 287.190 2.589 20 10 CFCDMN COc1cc(O)c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809048 778949397 /nfs/dbraw/zinc/94/93/97/778949397.db2.gz SMFWYHQRKDIMKR-BONVTDFDSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809048 778949400 /nfs/dbraw/zinc/94/94/00/778949400.db2.gz SMFWYHQRKDIMKR-BONVTDFDSA-N 0 1 297.782 2.665 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809048 778949408 /nfs/dbraw/zinc/94/94/08/778949408.db2.gz SMFWYHQRKDIMKR-BONVTDFDSA-N 0 1 297.782 2.665 20 10 CFCDMN CN(Cc1cc2ccccc2cc1O)C1(C)COC1 ZINC001236833888 778959599 /nfs/dbraw/zinc/95/95/99/778959599.db2.gz QUMMTTTZDNWJMI-UHFFFAOYSA-N 0 1 257.333 2.766 20 10 CFCDMN CCOc1ccc(C[N@H+]2CCc3ncccc3C2)c(O)c1 ZINC001237041393 778996468 /nfs/dbraw/zinc/99/64/68/778996468.db2.gz HXYVBRSPLRFDCI-UHFFFAOYSA-N 0 1 284.359 2.744 20 10 CFCDMN CCOc1ccc(CN2CCc3ncccc3C2)c(O)c1 ZINC001237041393 778996471 /nfs/dbraw/zinc/99/64/71/778996471.db2.gz HXYVBRSPLRFDCI-UHFFFAOYSA-N 0 1 284.359 2.744 20 10 CFCDMN CCOc1ccc(CN2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001237050104 779000124 /nfs/dbraw/zinc/00/01/24/779000124.db2.gz PGSCUFVFMLLHRM-GFCCVEGCSA-N 0 1 277.364 2.592 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC001237083089 779006920 /nfs/dbraw/zinc/00/69/20/779006920.db2.gz YRVAGLMONXDACB-SECBINFHSA-N 0 1 289.206 2.835 20 10 CFCDMN CN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC001237083089 779006922 /nfs/dbraw/zinc/00/69/22/779006922.db2.gz YRVAGLMONXDACB-SECBINFHSA-N 0 1 289.206 2.835 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC001237119767 779017495 /nfs/dbraw/zinc/01/74/95/779017495.db2.gz FINAYSIMSMSSRZ-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001237119767 779017500 /nfs/dbraw/zinc/01/75/00/779017500.db2.gz FINAYSIMSMSSRZ-SECBINFHSA-N 0 1 273.735 2.532 20 10 CFCDMN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]1CO ZINC001237122012 779017747 /nfs/dbraw/zinc/01/77/47/779017747.db2.gz QRQDMFDEHFEQPQ-JOYOIKCWSA-N 0 1 287.762 2.778 20 10 CFCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H]1CO ZINC001237122012 779017752 /nfs/dbraw/zinc/01/77/52/779017752.db2.gz QRQDMFDEHFEQPQ-JOYOIKCWSA-N 0 1 287.762 2.778 20 10 CFCDMN C[N@@H+](Cc1c(O)ccc(F)c1Cl)[C@H]1CCCOC1 ZINC001237125291 779018451 /nfs/dbraw/zinc/01/84/51/779018451.db2.gz CEUJYJUCSIKMLX-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)[C@H]1CCCOC1 ZINC001237125291 779018457 /nfs/dbraw/zinc/01/84/57/779018457.db2.gz CEUJYJUCSIKMLX-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)[C@H]1CCCOC1 ZINC001237125291 779018463 /nfs/dbraw/zinc/01/84/63/779018463.db2.gz CEUJYJUCSIKMLX-VIFPVBQESA-N 0 1 273.735 2.796 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237125854 779018851 /nfs/dbraw/zinc/01/88/51/779018851.db2.gz GRBSHBWEYHZSAT-LLVKDONJSA-N 0 1 298.789 2.855 20 10 CFCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237484361 779118322 /nfs/dbraw/zinc/11/83/22/779118322.db2.gz CWTLAHFADOWTMK-BBRMVZONSA-N 0 1 261.365 2.702 20 10 CFCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@@H]1O ZINC001237617149 779144775 /nfs/dbraw/zinc/14/47/75/779144775.db2.gz LGLRCHHHYRUYMP-ZANVPECISA-N 0 1 287.762 2.778 20 10 CFCDMN CC[N@@H+](CCN(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237619333 779145735 /nfs/dbraw/zinc/14/57/35/779145735.db2.gz MZBBPWKQDYXICW-UHFFFAOYSA-N 0 1 274.767 2.568 20 10 CFCDMN CCN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237619333 779145737 /nfs/dbraw/zinc/14/57/37/779145737.db2.gz MZBBPWKQDYXICW-UHFFFAOYSA-N 0 1 274.767 2.568 20 10 CFCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622703 779147296 /nfs/dbraw/zinc/14/72/96/779147296.db2.gz WXUJYKNHESJXHO-SNVBAGLBSA-N 0 1 285.746 2.986 20 10 CFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237622758 779147413 /nfs/dbraw/zinc/14/74/13/779147413.db2.gz YZGYOWUSFSUJCH-TVQRCGJNSA-N 0 1 285.746 2.796 20 10 CFCDMN O=C1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237624640 779147475 /nfs/dbraw/zinc/14/74/75/779147475.db2.gz XDIZCUKCXHZURR-SKDRFNHKSA-N 0 1 297.757 2.986 20 10 CFCDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@H]2C1 ZINC001237799618 779181314 /nfs/dbraw/zinc/18/13/14/779181314.db2.gz SGBSADKVHIFRJQ-YGRLFVJLSA-N 0 1 298.789 2.711 20 10 CFCDMN CC[C@@H]1COCCN1Cc1cc(F)cc(Cl)c1O ZINC001237799573 779181593 /nfs/dbraw/zinc/18/15/93/779181593.db2.gz RXCPHWCZEPDZNX-LLVKDONJSA-N 0 1 273.735 2.796 20 10 CFCDMN Oc1c(Cl)cc(F)cc1CN1CC2(C1)CCCCO2 ZINC001237800978 779181804 /nfs/dbraw/zinc/18/18/04/779181804.db2.gz POOXPTYKXZTZOV-UHFFFAOYSA-N 0 1 285.746 2.940 20 10 CFCDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]12 ZINC001237800731 779181999 /nfs/dbraw/zinc/18/19/99/779181999.db2.gz ARPBGQKLNQKTMP-XTWCZFFVSA-N 0 1 285.746 2.651 20 10 CFCDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799880 779182148 /nfs/dbraw/zinc/18/21/48/779182148.db2.gz JLOAVSXTHNLATJ-VHSXEESVSA-N 0 1 286.778 2.709 20 10 CFCDMN O=C1CCN(Cc2cc(F)cc(Cl)c2O)CC1(F)F ZINC001237799276 779182414 /nfs/dbraw/zinc/18/24/14/779182414.db2.gz QQBDZGLLEIXGNX-UHFFFAOYSA-N 0 1 293.672 2.595 20 10 CFCDMN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000388279114 779200088 /nfs/dbraw/zinc/20/00/88/779200088.db2.gz KGTTWDMOTQMUFX-OTYXRUKQSA-N 0 1 269.772 2.949 20 10 CFCDMN CCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237937101 779211349 /nfs/dbraw/zinc/21/13/49/779211349.db2.gz NTIWYSWBSYMCLN-UHFFFAOYSA-N 0 1 286.778 2.712 20 10 CFCDMN CC[NH+]1C[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001237940977 779211993 /nfs/dbraw/zinc/21/19/93/779211993.db2.gz FIDUKJIMSIPWGL-RYUDHWBXSA-N 0 1 298.789 2.568 20 10 CFCDMN C[NH+](C)C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237945491 779213200 /nfs/dbraw/zinc/21/32/00/779213200.db2.gz GMXWYQMRJCIESR-UHFFFAOYSA-N 0 1 286.778 2.711 20 10 CFCDMN Cc1cc(F)cc(CN(C)Cc2ccncc2)c1O ZINC001238058632 779241387 /nfs/dbraw/zinc/24/13/87/779241387.db2.gz TXQHYNATCFCYHS-UHFFFAOYSA-N 0 1 260.312 2.867 20 10 CFCDMN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235394100 779349904 /nfs/dbraw/zinc/34/99/04/779349904.db2.gz XGLMVUPUMRHTTK-DTORHVGOSA-N 0 1 287.190 2.635 20 10 CFCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(Cl)c1 ZINC001236803927 779641063 /nfs/dbraw/zinc/64/10/63/779641063.db2.gz QFNRKWVBINEEMU-NSHDSACASA-N 0 1 297.782 2.855 20 10 CFCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(C)=O)C2)c(Cl)c1 ZINC001236803927 779641068 /nfs/dbraw/zinc/64/10/68/779641068.db2.gz QFNRKWVBINEEMU-NSHDSACASA-N 0 1 297.782 2.855 20 10 CFCDMN COc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1Cl ZINC001236807859 779642110 /nfs/dbraw/zinc/64/21/10/779642110.db2.gz UFFZSXRBJMAKPJ-RTCCRHLQSA-N 0 1 285.746 2.702 20 10 CFCDMN COc1cc(C)c(CN2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001236809673 779642368 /nfs/dbraw/zinc/64/23/68/779642368.db2.gz ZPBPYDYWWYNWFL-GFCCVEGCSA-N 0 1 277.364 2.510 20 10 CFCDMN [O-]c1ccc(F)c(Cl)c1CN1CC([NH+]2CCCCC2)C1 ZINC001237131175 779664240 /nfs/dbraw/zinc/66/42/40/779664240.db2.gz UPXQCWFEERZBQI-UHFFFAOYSA-N 0 1 298.789 2.855 20 10 CFCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001237934964 779725113 /nfs/dbraw/zinc/72/51/13/779725113.db2.gz OBORSRNECQNTPB-JTQLQIEISA-N 0 1 287.762 2.779 20 10 CFCDMN CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccccc1O ZINC001203557110 780038020 /nfs/dbraw/zinc/03/80/20/780038020.db2.gz ZFHFRMVZOGPLEE-TZMCWYRMSA-N 0 1 277.364 2.556 20 10 CFCDMN Oc1c(Cl)cccc1CN1CCO[C@H](CCF)C1 ZINC000700591439 780702987 /nfs/dbraw/zinc/70/29/87/780702987.db2.gz MZWXUJIUMXJHTF-LLVKDONJSA-N 0 1 273.735 2.606 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000700591439 780702990 /nfs/dbraw/zinc/70/29/90/780702990.db2.gz MZWXUJIUMXJHTF-LLVKDONJSA-N 0 1 273.735 2.606 20 10 CFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000700591439 780702993 /nfs/dbraw/zinc/70/29/93/780702993.db2.gz MZWXUJIUMXJHTF-LLVKDONJSA-N 0 1 273.735 2.606 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000700792018 780719324 /nfs/dbraw/zinc/71/93/24/780719324.db2.gz YHDSRYIELSKBCH-PWSUYJOCSA-N 0 1 267.756 2.514 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000700792018 780719330 /nfs/dbraw/zinc/71/93/30/780719330.db2.gz YHDSRYIELSKBCH-PWSUYJOCSA-N 0 1 267.756 2.514 20 10 CFCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2F)[C@@](C)(CO)C1 ZINC001137832993 780925972 /nfs/dbraw/zinc/92/59/72/780925972.db2.gz OUZXEQCPKPWCDD-OAHLLOKOSA-N 0 1 267.344 2.514 20 10 CFCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H](C)OC ZINC000703447893 781015016 /nfs/dbraw/zinc/01/50/16/781015016.db2.gz NMMGSJLXYBIDRU-VIFPVBQESA-N 0 1 259.296 2.527 20 10 CFCDMN C[C@H]1N(Cc2cc(F)cc(F)c2O)CCOC1(C)C ZINC000708382166 781272169 /nfs/dbraw/zinc/27/21/69/781272169.db2.gz FZMMPYNYCXNXDV-SECBINFHSA-N 0 1 271.307 2.670 20 10 CFCDMN Oc1c(F)cc(F)cc1CNCC(F)(F)C(F)F ZINC000708466180 781276529 /nfs/dbraw/zinc/27/65/29/781276529.db2.gz OVKOTVHDWZXRBF-UHFFFAOYSA-N 0 1 273.176 2.660 20 10 CFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccns1 ZINC000709932655 781322712 /nfs/dbraw/zinc/32/27/12/781322712.db2.gz KHMLIMSMNHPSIC-UHFFFAOYSA-N 0 1 268.769 2.834 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000711504260 781448885 /nfs/dbraw/zinc/44/88/85/781448885.db2.gz YJYAWNLOXOQILN-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](CF)C1 ZINC000711504260 781448891 /nfs/dbraw/zinc/44/88/91/781448891.db2.gz YJYAWNLOXOQILN-SECBINFHSA-N 0 1 288.160 2.946 20 10 CFCDMN COc1nc(Cl)c(CN[C@H](C)c2ccccc2O)n1C ZINC001119303848 781758245 /nfs/dbraw/zinc/75/82/45/781758245.db2.gz KCTKJRMVJLZPRY-SECBINFHSA-N 0 1 295.770 2.639 20 10 CFCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276928985 295859832 /nfs/dbraw/zinc/85/98/32/295859832.db2.gz NZFJDAOUSWOKIJ-UWVGGRQHSA-N 0 1 272.339 2.661 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)CCO)c1ccc2ccccc2c1[O-] ZINC000132560047 296146105 /nfs/dbraw/zinc/14/61/05/296146105.db2.gz MVFIQULCZBHUDB-NWDGAFQWSA-N 0 1 259.349 2.967 20 10 CFCDMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccccc1O ZINC000091974647 375074492 /nfs/dbraw/zinc/07/44/92/375074492.db2.gz LIJWULHBDIEXET-FQEVSTJZSA-N 0 1 289.400 2.762 20 10 CFCDMN CCCOc1ccc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c1 ZINC000093418441 375233455 /nfs/dbraw/zinc/23/34/55/375233455.db2.gz DSHMNPNOLCWBDD-STQMWFEESA-N 0 1 279.380 2.790 20 10 CFCDMN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342581 376011148 /nfs/dbraw/zinc/01/11/48/376011148.db2.gz PSROQCBUXBBGDT-RNCFNFMXSA-N 0 1 257.761 2.542 20 10 CFCDMN Cc1ccc(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000130028096 377503130 /nfs/dbraw/zinc/50/31/30/377503130.db2.gz YKUJMJMUYVUMHM-ZDUSSCGKSA-N 0 1 261.365 2.702 20 10 CFCDMN COC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132680692 377864997 /nfs/dbraw/zinc/86/49/97/377864997.db2.gz SDXJXGBZSQTEJD-SECBINFHSA-N 0 1 288.185 2.621 20 10 CFCDMN COC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132680692 377865000 /nfs/dbraw/zinc/86/50/00/377865000.db2.gz SDXJXGBZSQTEJD-SECBINFHSA-N 0 1 288.185 2.621 20 10 CFCDMN CCOc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000133479133 377933100 /nfs/dbraw/zinc/93/31/00/377933100.db2.gz VVLSIZJMHGUQLF-GJZGRUSLSA-N 0 1 291.391 2.934 20 10 CFCDMN Cc1cnc([C@H](C)NCc2cc3c(cc2O)OCO3)s1 ZINC000134907473 378062412 /nfs/dbraw/zinc/06/24/12/378062412.db2.gz QEKJFQXJXWPDCY-VIFPVBQESA-N 0 1 292.360 2.737 20 10 CFCDMN CC(C)OCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000134986068 378072271 /nfs/dbraw/zinc/07/22/71/378072271.db2.gz FZHUQDCTZQUIKG-UHFFFAOYSA-N 0 1 288.185 2.669 20 10 CFCDMN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163759579 378990067 /nfs/dbraw/zinc/99/00/67/378990067.db2.gz AVYSEONDUQSFRO-DTWKUNHWSA-N 0 1 270.170 2.900 20 10 CFCDMN C[C@H]1OCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000180257481 380640512 /nfs/dbraw/zinc/64/05/12/380640512.db2.gz FCGKNKLAHATLMR-VHSXEESVSA-N 0 1 255.745 2.655 20 10 CFCDMN C[C@H]1OCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000180257481 380640517 /nfs/dbraw/zinc/64/05/17/380640517.db2.gz FCGKNKLAHATLMR-VHSXEESVSA-N 0 1 255.745 2.655 20 10 CFCDMN CC[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000179987076 380606705 /nfs/dbraw/zinc/60/67/05/380606705.db2.gz JRLDTDGNQLBGBA-GWCFXTLKSA-N 0 1 253.317 2.531 20 10 CFCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295501607 380899997 /nfs/dbraw/zinc/89/99/97/380899997.db2.gz YJZKFAKYVFKKEU-ZDUSSCGKSA-N 0 1 273.735 2.532 20 10 CFCDMN Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182090922 380989186 /nfs/dbraw/zinc/98/91/86/380989186.db2.gz RFVXGFVAJBLHLT-HNNXBMFYSA-N 0 1 299.418 2.889 20 10 CFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000289314714 381030514 /nfs/dbraw/zinc/03/05/14/381030514.db2.gz FBAVVNKHPVZKPV-PHIMTYICSA-N 0 1 255.745 2.655 20 10 CFCDMN Oc1cccc2c1[C@@H](NCc1cn3ccsc3n1)CC2 ZINC000296092198 381251549 /nfs/dbraw/zinc/25/15/49/381251549.db2.gz TWNXAAGXYPEDOM-LBPRGKRZSA-N 0 1 285.372 2.879 20 10 CFCDMN Cc1csc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000296101478 381256707 /nfs/dbraw/zinc/25/67/07/381256707.db2.gz UKZIFQYBNXGTDA-NSHDSACASA-N 0 1 260.362 2.934 20 10 CFCDMN CCc1nc(CNCc2ccc(N(CC)CC)cc2)n[nH]1 ZINC000296157187 381280197 /nfs/dbraw/zinc/28/01/97/381280197.db2.gz WIILAKQFRSWBLJ-UHFFFAOYSA-N 0 1 287.411 2.503 20 10 CFCDMN Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000296557214 381447179 /nfs/dbraw/zinc/44/71/79/381447179.db2.gz RYVOSJIMUPAESC-AVOUXACISA-N 0 1 274.408 2.976 20 10 CFCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000184689361 381460731 /nfs/dbraw/zinc/46/07/31/381460731.db2.gz NDWUWFOUZSCYNZ-LLVKDONJSA-N 0 1 299.798 2.913 20 10 CFCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000184689361 381460734 /nfs/dbraw/zinc/46/07/34/381460734.db2.gz NDWUWFOUZSCYNZ-LLVKDONJSA-N 0 1 299.798 2.913 20 10 CFCDMN Cc1cc(C)c([C@H](C)NCc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000296661265 381495595 /nfs/dbraw/zinc/49/55/95/381495595.db2.gz ZTWMUOHGCQAUAT-NSHDSACASA-N 0 1 286.379 2.855 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185444849 381634684 /nfs/dbraw/zinc/63/46/84/381634684.db2.gz YQJLABSINJMPIH-WFBYXXMGSA-N 0 1 269.772 3.000 20 10 CFCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])C[C@H](C)O ZINC000185522080 381656659 /nfs/dbraw/zinc/65/66/59/381656659.db2.gz JWTUSYMYXDCIFT-VWYCJHECSA-N 0 1 255.333 2.589 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000371527847 381651780 /nfs/dbraw/zinc/65/17/80/381651780.db2.gz JEVDKNUJPGYJAE-UONOGXRCSA-N 0 1 265.328 2.675 20 10 CFCDMN CCc1nc(C)c(CNCc2cc(OC)ccc2O)o1 ZINC000292749777 381820011 /nfs/dbraw/zinc/82/00/11/381820011.db2.gz IJEYPHOAOKBNRG-UHFFFAOYSA-N 0 1 276.336 2.549 20 10 CFCDMN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc2ccccc2c1[O-] ZINC000186220604 381856133 /nfs/dbraw/zinc/85/61/33/381856133.db2.gz LANISHOKKGESOC-NSHDSACASA-N 0 1 286.375 2.708 20 10 CFCDMN C[C@@H](N[C@@H](CCO)c1ccco1)c1cc(F)ccc1O ZINC000186534866 381939280 /nfs/dbraw/zinc/93/92/80/381939280.db2.gz QXIRLINVESHVGI-MFKMUULPSA-N 0 1 279.311 2.899 20 10 CFCDMN COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000186554221 381946648 /nfs/dbraw/zinc/94/66/48/381946648.db2.gz HKJMBZVZLGHIII-SMDDNHRTSA-N 0 1 291.347 2.768 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000374300507 382041957 /nfs/dbraw/zinc/04/19/57/382041957.db2.gz FNPDOJMEFYJDAS-GFCCVEGCSA-N 0 1 277.339 2.966 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000374300507 382041962 /nfs/dbraw/zinc/04/19/62/382041962.db2.gz FNPDOJMEFYJDAS-GFCCVEGCSA-N 0 1 277.339 2.966 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000374300509 382042206 /nfs/dbraw/zinc/04/22/06/382042206.db2.gz FNPDOJMEFYJDAS-LBPRGKRZSA-N 0 1 277.339 2.966 20 10 CFCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000374300509 382042210 /nfs/dbraw/zinc/04/22/10/382042210.db2.gz FNPDOJMEFYJDAS-LBPRGKRZSA-N 0 1 277.339 2.966 20 10 CFCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289911 382075935 /nfs/dbraw/zinc/07/59/35/382075935.db2.gz YSJYWVZHBTUAAC-LLVKDONJSA-N 0 1 288.174 2.656 20 10 CFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375301810 382078769 /nfs/dbraw/zinc/07/87/69/382078769.db2.gz HTGKBBDVLKHDIO-HNNXBMFYSA-N 0 1 265.328 2.534 20 10 CFCDMN COCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000293720459 382249235 /nfs/dbraw/zinc/24/92/35/382249235.db2.gz PNUUUIYIYNPICK-SNVBAGLBSA-N 0 1 255.333 2.855 20 10 CFCDMN COc1ccc(O)c([C@@H](C)N2CCOC[C@@H]2C2CC2)c1 ZINC000377621783 382303559 /nfs/dbraw/zinc/30/35/59/382303559.db2.gz XUEPKAQMFOWELH-IAQYHMDHSA-N 0 1 277.364 2.573 20 10 CFCDMN Cn1ccnc1[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000377890242 382364982 /nfs/dbraw/zinc/36/49/82/382364982.db2.gz TUCOETPMFPHXCV-NSHDSACASA-N 0 1 291.782 2.769 20 10 CFCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000377890242 382364989 /nfs/dbraw/zinc/36/49/89/382364989.db2.gz TUCOETPMFPHXCV-NSHDSACASA-N 0 1 291.782 2.769 20 10 CFCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1C ZINC000366651568 382540049 /nfs/dbraw/zinc/54/00/49/382540049.db2.gz IIDJAJJMOZHUOT-LSDHHAIUSA-N 0 1 275.392 2.867 20 10 CFCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1F ZINC000295240716 382597373 /nfs/dbraw/zinc/59/73/73/382597373.db2.gz OZVZOMJORAIVDA-AWEZNQCLSA-N 0 1 294.414 2.875 20 10 CFCDMN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000189400312 382603755 /nfs/dbraw/zinc/60/37/55/382603755.db2.gz MWUDXASPOUOTTF-UWVGGRQHSA-N 0 1 284.787 2.563 20 10 CFCDMN C[N@H+](Cc1ccccc1O)C[C@H](O)CC1CCCC1 ZINC000190860882 382682850 /nfs/dbraw/zinc/68/28/50/382682850.db2.gz DOCUFRUBMZTBFI-OAHLLOKOSA-N 0 1 263.381 2.765 20 10 CFCDMN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@H](CC)C2)c1 ZINC000245565699 383009773 /nfs/dbraw/zinc/00/97/73/383009773.db2.gz SAMXCEHKXZDTEY-TZMCWYRMSA-N 0 1 279.380 2.790 20 10 CFCDMN Cc1ccoc1CNCc1ccc(N2CCOCC2)cc1 ZINC000266234617 384123034 /nfs/dbraw/zinc/12/30/34/384123034.db2.gz VHXDNHGTMDPHFQ-UHFFFAOYSA-N 0 1 286.375 2.714 20 10 CFCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)C ZINC000266605176 384206051 /nfs/dbraw/zinc/20/60/51/384206051.db2.gz FRJATUIJIBJDHT-ZDUSSCGKSA-N 0 1 257.761 2.806 20 10 CFCDMN C[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000281764587 385202669 /nfs/dbraw/zinc/20/26/69/385202669.db2.gz LQSDPSHDWJHISN-UHFFFAOYSA-N 0 1 264.152 2.513 20 10 CFCDMN NC(=O)CCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000271199262 385373392 /nfs/dbraw/zinc/37/33/92/385373392.db2.gz PGLCFVMPVBGNLH-UHFFFAOYSA-N 0 1 296.798 2.523 20 10 CFCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000271244970 385377436 /nfs/dbraw/zinc/37/74/36/385377436.db2.gz BXUDJHCLTUUTIS-UFBFGSQYSA-N 0 1 290.190 2.902 20 10 CFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)C(C)(C)C ZINC000271813587 385392559 /nfs/dbraw/zinc/39/25/59/385392559.db2.gz MKQLUOYAKDUYEP-GFCCVEGCSA-N 0 1 271.788 2.884 20 10 CFCDMN COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000282939460 385413525 /nfs/dbraw/zinc/41/35/25/385413525.db2.gz YTTOSAKUKDKJMC-NSHDSACASA-N 0 1 267.344 2.999 20 10 CFCDMN [O-]c1c(F)cccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000272340892 385514803 /nfs/dbraw/zinc/51/48/03/385514803.db2.gz YPYNNQJDSMFKTI-UHFFFAOYSA-N 0 1 275.323 2.526 20 10 CFCDMN Cc1cc(O)c(CN[C@@H](c2nncn2C)C(C)C)cc1C ZINC000285343617 385554109 /nfs/dbraw/zinc/55/41/09/385554109.db2.gz AFXXZMFOJNMNKS-OAHLLOKOSA-N 0 1 288.395 2.624 20 10 CFCDMN Cc1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)c(O)c1C ZINC000273376996 385678621 /nfs/dbraw/zinc/67/86/21/385678621.db2.gz HJYZEQLSXJGFSH-BBRMVZONSA-N 0 1 298.386 2.886 20 10 CFCDMN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000273609234 385691580 /nfs/dbraw/zinc/69/15/80/385691580.db2.gz VHHMTNOTXYMUMZ-VHSXEESVSA-N 0 1 257.761 2.715 20 10 CFCDMN Oc1cc2c(cc1CN1CCCc3occc3C1)OCO2 ZINC000290217199 285382110 /nfs/dbraw/zinc/38/21/10/285382110.db2.gz RFCOPUXVGFKRBK-UHFFFAOYSA-N 0 1 287.315 2.662 20 10 CFCDMN CCc1nc(CNCc2cccc(OC)c2O)cs1 ZINC000107715949 393871180 /nfs/dbraw/zinc/87/11/80/393871180.db2.gz YQOBGAXDSRGAEJ-UHFFFAOYSA-N 0 1 278.377 2.710 20 10 CFCDMN CCC(C)(C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109772295 393879615 /nfs/dbraw/zinc/87/96/15/393879615.db2.gz CEEXGGWSAQEPPU-LBPRGKRZSA-N 0 1 278.396 2.517 20 10 CFCDMN CC[C@@H](NCc1nnc2n1CCCC2)c1ccccc1O ZINC000121099242 393948420 /nfs/dbraw/zinc/94/84/20/393948420.db2.gz HQALXSBCRPCCJP-CYBMUJFWSA-N 0 1 286.379 2.561 20 10 CFCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000185783603 287050490 /nfs/dbraw/zinc/05/04/90/287050490.db2.gz XBMOIPGZWFZVQH-MNOVXSKESA-N 0 1 267.344 2.997 20 10 CFCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000020207138 171071626 /nfs/dbraw/zinc/07/16/26/171071626.db2.gz XLVFIRRMSHBUKY-RNCFNFMXSA-N 0 1 255.745 2.703 20 10 CFCDMN CC[C@H]([NH2+]C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000035601847 172291276 /nfs/dbraw/zinc/29/12/76/172291276.db2.gz RIDWLYATIWLBQZ-KWQFWETISA-N 0 1 288.185 2.576 20 10 CFCDMN Cc1cccnc1CNCc1ccc(N(C)C)cc1 ZINC000071338990 176129506 /nfs/dbraw/zinc/12/95/06/176129506.db2.gz WSJYCWPGJGUWMQ-UHFFFAOYSA-N 0 1 255.365 2.746 20 10 CFCDMN COc1nccc(CNCc2c(C)c3ccccc3n2C)n1 ZINC000449292773 260369925 /nfs/dbraw/zinc/36/99/25/260369925.db2.gz FCCAHUZAWVHEST-UHFFFAOYSA-N 0 1 296.374 2.575 20 10 CFCDMN C[C@H]1CCOCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000368130550 267146885 /nfs/dbraw/zinc/14/68/85/267146885.db2.gz CVDFAPZSOVETFH-JTQLQIEISA-N 0 1 255.745 2.656 20 10 CFCDMN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1[O-] ZINC000370397280 267316750 /nfs/dbraw/zinc/31/67/50/267316750.db2.gz MNQIGOHMPXPXQJ-CABZTGNLSA-N 0 1 291.782 2.977 20 10 CFCDMN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCC[C@H](CO)C1 ZINC000377548879 280218961 /nfs/dbraw/zinc/21/89/61/280218961.db2.gz IYMAEEYASSBIKJ-ZFWWWQNUSA-N 0 1 263.381 2.938 20 10 CFCDMN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCC[C@H](CO)C1 ZINC000377548879 280218963 /nfs/dbraw/zinc/21/89/63/280218963.db2.gz IYMAEEYASSBIKJ-ZFWWWQNUSA-N 0 1 263.381 2.938 20 10 CFCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191957216 281351508 /nfs/dbraw/zinc/35/15/08/281351508.db2.gz AWSXNSSILMEHOO-CQSZACIVSA-N 0 1 269.772 2.783 20 10 CFCDMN C[C@@H]1COCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365233385 288335073 /nfs/dbraw/zinc/33/50/73/288335073.db2.gz IGUSLOXYFJZYMQ-VIFPVBQESA-N 0 1 273.735 2.653 20 10 CFCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000125183004 526362168 /nfs/dbraw/zinc/36/21/68/526362168.db2.gz RKBZEYNWOJDGPU-SECBINFHSA-N 0 1 289.853 2.984 20 10 CFCDMN Cc1c2ccccc2n(C)c1CNCc1cnccn1 ZINC000571381624 328117911 /nfs/dbraw/zinc/11/79/11/328117911.db2.gz FDHPGGOENBVRAL-UHFFFAOYSA-N 0 1 266.348 2.567 20 10 CFCDMN COc1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1C ZINC000527802254 330284290 /nfs/dbraw/zinc/28/42/90/330284290.db2.gz VPESRFWHZWKYAW-MRXNPFEDSA-N 0 1 296.370 2.657 20 10 CFCDMN C[C@H](NCc1cc2c(cc1O)OCO2)c1ncccc1F ZINC000527826902 330286666 /nfs/dbraw/zinc/28/66/66/330286666.db2.gz WHDMQVIQEOWURY-VIFPVBQESA-N 0 1 290.294 2.506 20 10 CFCDMN CC[C@H](NCc1cnn(CC)n1)c1ccc(C)cc1O ZINC000527921958 330295878 /nfs/dbraw/zinc/29/58/78/330295878.db2.gz ASGNHEGGBRKRJL-AWEZNQCLSA-N 0 1 274.368 2.553 20 10 CFCDMN