smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c(C[N@H+]2CCC[C@H]2CF)cc1C ZINC000293933767 178194728 /nfs/dbraw/zinc/19/47/28/178194728.db2.gz HOMXMZQBCCBIOY-ZDUSSCGKSA-N 0 1 237.318 2.943 20 10 BFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1C ZINC000173529210 178195508 /nfs/dbraw/zinc/19/55/08/178195508.db2.gz ONOZJGCXSYXOHC-LBPRGKRZSA-N 0 1 219.328 2.993 20 10 BFCDMN Cc1cc(O)c(C[N@H+](C(C)C)C2COC2)cc1C ZINC000296023761 178195904 /nfs/dbraw/zinc/19/59/04/178195904.db2.gz MQGMFAGTXVJEHQ-UHFFFAOYSA-N 0 1 249.354 2.618 20 10 BFCDMN CC(C)[N@@H+](Cc1cccc(F)c1[O-])C1CC1 ZINC000272223572 187335444 /nfs/dbraw/zinc/33/54/44/187335444.db2.gz CJTVAKTXNZCUGQ-UHFFFAOYSA-N 0 1 223.291 2.904 20 10 BFCDMN CCc1nc(C)c(CNCc2ccccc2O)o1 ZINC000291775598 350947531 /nfs/dbraw/zinc/94/75/31/350947531.db2.gz UFVNZXGKCOUFDZ-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN CC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132543157 371857182 /nfs/dbraw/zinc/85/71/82/371857182.db2.gz NXLGVCJFTWJYKU-UHFFFAOYSA-N 0 1 244.132 2.606 20 10 BFCDMN CCC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000093508875 384245750 /nfs/dbraw/zinc/24/57/50/384245750.db2.gz OUAOMMYCLYZHQC-CQSZACIVSA-N 0 1 249.354 2.702 20 10 BFCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093839290 384273630 /nfs/dbraw/zinc/27/36/30/384273630.db2.gz MPLODLCPPFPZKQ-CYBMUJFWSA-N 0 1 249.354 2.559 20 10 BFCDMN CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134913105 384398717 /nfs/dbraw/zinc/39/87/17/384398717.db2.gz RFDNDFORNUPCGK-SECBINFHSA-N 0 1 243.734 2.733 20 10 BFCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179690880 385483266 /nfs/dbraw/zinc/48/32/66/385483266.db2.gz FMRZLLMGZHLJHX-UHFFFAOYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000123536136 385887967 /nfs/dbraw/zinc/88/79/67/385887967.db2.gz GSFRRRGCMPBNKA-BDAKNGLRSA-N 0 1 225.719 2.791 20 10 BFCDMN C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000295934466 386108054 /nfs/dbraw/zinc/10/80/54/386108054.db2.gz FXFLEGPOBFGTOA-ZDUSSCGKSA-N 0 1 241.281 2.855 20 10 BFCDMN CO[C@H](C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000289969682 386377437 /nfs/dbraw/zinc/37/74/37/386377437.db2.gz ZIPTWDSQJKAEBW-SECBINFHSA-N 0 1 243.734 2.512 20 10 BFCDMN CO[C@H](C)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000289969682 386377441 /nfs/dbraw/zinc/37/74/41/386377441.db2.gz ZIPTWDSQJKAEBW-SECBINFHSA-N 0 1 243.734 2.512 20 10 BFCDMN C[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000134901236 386452893 /nfs/dbraw/zinc/45/28/93/386452893.db2.gz XGSBXSWKCXYITG-SSDOTTSWSA-N 0 1 211.692 2.859 20 10 BFCDMN CCCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165408847 388252293 /nfs/dbraw/zinc/25/22/93/388252293.db2.gz NPFCEBHMYHGPFL-UHFFFAOYSA-N 0 1 211.280 2.763 20 10 BFCDMN CC1CC([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000128879220 168146303 /nfs/dbraw/zinc/14/63/03/168146303.db2.gz BSFJWFLYCRJMJK-UHFFFAOYSA-N 0 1 225.719 2.934 20 10 BFCDMN CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000052067541 170159073 /nfs/dbraw/zinc/15/90/73/170159073.db2.gz UOJSCVFLELGOJO-SSDOTTSWSA-N 0 1 244.132 2.825 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1C ZINC000272534273 176176321 /nfs/dbraw/zinc/17/63/21/176176321.db2.gz ZXZOYVNTKIUZEZ-NXEZZACHSA-N 0 1 223.291 2.762 20 10 BFCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893946131 583257460 /nfs/dbraw/zinc/25/74/60/583257460.db2.gz LIIVZXLHYMZWNS-MRVPVSSYSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777890 582848367 /nfs/dbraw/zinc/84/83/67/582848367.db2.gz ITVCIGKDSNKMHI-LLVKDONJSA-N 0 1 242.322 2.782 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777890 582848368 /nfs/dbraw/zinc/84/83/68/582848368.db2.gz ITVCIGKDSNKMHI-LLVKDONJSA-N 0 1 242.322 2.782 20 10 BFCDMN Cc1ccc(O)c(CN2CC(C(F)(F)F)C2)c1 ZINC000894892237 583548845 /nfs/dbraw/zinc/54/88/45/583548845.db2.gz MWHMBPVKMFXSNC-UHFFFAOYSA-N 0 1 245.244 2.695 20 10 BFCDMN C[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1O ZINC000757889368 585346273 /nfs/dbraw/zinc/34/62/73/585346273.db2.gz HMIVKTJZJZYMJZ-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN COc1ccc(O)c(CN(C)Cc2ccoc2)c1 ZINC000775662034 585682742 /nfs/dbraw/zinc/68/27/42/585682742.db2.gz COJAGAGZNODOIQ-UHFFFAOYSA-N 0 1 247.294 2.626 20 10 BFCDMN C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1F ZINC000779151256 585745870 /nfs/dbraw/zinc/74/58/70/585745870.db2.gz WCOKPFWKJOUDKG-SKDRFNHKSA-N 0 1 241.281 2.711 20 10 BFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC=CCC1 ZINC000779160382 585746261 /nfs/dbraw/zinc/74/62/61/585746261.db2.gz VDFDYQOWWXXOBZ-UHFFFAOYSA-N 0 1 223.703 2.808 20 10 BFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000779160382 585746262 /nfs/dbraw/zinc/74/62/62/585746262.db2.gz VDFDYQOWWXXOBZ-UHFFFAOYSA-N 0 1 223.703 2.808 20 10 BFCDMN CN(C)c1ccc(CN2CC=CCC2)cc1F ZINC000779159688 585746393 /nfs/dbraw/zinc/74/63/93/585746393.db2.gz RCPNJGZOBDIFKI-UHFFFAOYSA-N 0 1 234.318 2.654 20 10 BFCDMN COCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528762 586739033 /nfs/dbraw/zinc/73/90/33/586739033.db2.gz QQDXWNXVXDSJEH-UHFFFAOYSA-N 0 1 245.322 2.672 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000816648222 586750971 /nfs/dbraw/zinc/75/09/71/586750971.db2.gz GYGXBQWSSWFIKW-IUCAKERBSA-N 0 1 225.719 2.886 20 10 BFCDMN Cc1cc([O-])c(C[NH+]2CCCC2)cc1Cl ZINC000824484714 587271884 /nfs/dbraw/zinc/27/18/84/587271884.db2.gz RIPQNLATJRXYHP-UHFFFAOYSA-N 0 1 225.719 2.950 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650120 587280645 /nfs/dbraw/zinc/28/06/45/587280645.db2.gz JBJCEMNPLXKISA-LBPRGKRZSA-N 0 1 221.275 2.516 20 10 BFCDMN COC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744723 587973632 /nfs/dbraw/zinc/97/36/32/587973632.db2.gz SFQWTUKFVWDTNF-DTWKUNHWSA-N 0 1 243.734 2.731 20 10 BFCDMN C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1[O-] ZINC000841743665 587973831 /nfs/dbraw/zinc/97/38/31/587973831.db2.gz JGYXVNCNKRPGIQ-SSDOTTSWSA-N 0 1 211.692 2.859 20 10 BFCDMN Cc1nc(CSc2ncc(Cl)s2)n[nH]1 ZINC000850000421 588513621 /nfs/dbraw/zinc/51/36/21/588513621.db2.gz UPLNRTXRKPZOSI-UHFFFAOYSA-N 0 1 246.748 2.515 20 10 BFCDMN CC1=CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876749014 590237228 /nfs/dbraw/zinc/23/72/28/590237228.db2.gz HBUIMBGWYOJKQG-UHFFFAOYSA-N 0 1 239.265 2.822 20 10 BFCDMN CCOC[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876788753 590241033 /nfs/dbraw/zinc/24/10/33/590241033.db2.gz JFJRVPDFAYBWEW-ZDUSSCGKSA-N 0 1 249.354 2.559 20 10 BFCDMN C[N@@H+](CCC1CC1)Cc1ccc(F)c(F)c1[O-] ZINC000876810953 590245248 /nfs/dbraw/zinc/24/52/48/590245248.db2.gz FIHAUMLGSMCKBN-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN CC(C)[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876879316 590252828 /nfs/dbraw/zinc/25/28/28/590252828.db2.gz PRRWMSGOBNQALD-LLVKDONJSA-N 0 1 241.281 2.901 20 10 BFCDMN Cc1csc(CNCc2ccc(C)cc2O)n1 ZINC000876918279 590257557 /nfs/dbraw/zinc/25/75/57/590257557.db2.gz GMMCIXSMOOCMNW-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC=CC1 ZINC000131180827 591566722 /nfs/dbraw/zinc/56/67/22/591566722.db2.gz YJJPMIKWGLFNIJ-UHFFFAOYSA-N 0 1 223.703 2.854 20 10 BFCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132666268 591728650 /nfs/dbraw/zinc/72/86/50/591728650.db2.gz LVPZFSTYOPIZBN-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132666268 591728653 /nfs/dbraw/zinc/72/86/53/591728653.db2.gz LVPZFSTYOPIZBN-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN COC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134900911 591958367 /nfs/dbraw/zinc/95/83/67/591958367.db2.gz DPFZFVQMHWCHEZ-RKDXNWHRSA-N 0 1 243.734 2.731 20 10 BFCDMN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309669114 632637670 /nfs/dbraw/zinc/63/76/70/632637670.db2.gz VIDGCCGXSCFWNQ-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN CO[C@H](C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309669113 633221100 /nfs/dbraw/zinc/22/11/00/633221100.db2.gz VIDGCCGXSCFWNQ-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN COc1ccc(O)c(CN(C)Cc2ccco2)c1 ZINC000179582213 642729966 /nfs/dbraw/zinc/72/99/66/642729966.db2.gz NYAICKKUHKLOIY-UHFFFAOYSA-N 0 1 247.294 2.626 20 10 BFCDMN CC(C)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708397965 712192751 /nfs/dbraw/zinc/19/27/51/712192751.db2.gz DQHSHFFZYXZUFX-UHFFFAOYSA-N 0 1 215.243 2.511 20 10 BFCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000708402961 712192944 /nfs/dbraw/zinc/19/29/44/712192944.db2.gz YENVZOMEDSIBDF-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN Oc1c(Cl)cccc1CNC1(C(F)F)CC1 ZINC000309476632 711698556 /nfs/dbraw/zinc/69/85/56/711698556.db2.gz CFHGWGBXSLRTPX-UHFFFAOYSA-N 0 1 247.672 2.933 20 10 BFCDMN CN(CC1CC=CC1)c1ccc(N)cc1 ZINC000702070948 712037424 /nfs/dbraw/zinc/03/74/24/712037424.db2.gz GHKKHDXEWODWIJ-UHFFFAOYSA-N 0 1 202.301 2.671 20 10 BFCDMN CC(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706804693 712156746 /nfs/dbraw/zinc/15/67/46/712156746.db2.gz NOIXCBWYJPIWNX-UHFFFAOYSA-N 0 1 244.132 2.653 20 10 BFCDMN CCC[N@@H+](CC)Cc1c([O-])cc(F)cc1F ZINC001140579824 960441202 /nfs/dbraw/zinc/44/12/02/960441202.db2.gz IKSPZMVJGDPEDU-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C=CCC1 ZINC000698217255 965111310 /nfs/dbraw/zinc/11/13/10/965111310.db2.gz WLFVFCVTHVPGRV-VIFPVBQESA-N 0 1 223.703 2.854 20 10 BFCDMN CC1C[NH+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452089 978606998 /nfs/dbraw/zinc/60/69/98/978606998.db2.gz KKVYVXSZHUMJSG-UHFFFAOYSA-N 0 1 245.244 2.863 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CC2CCC1CC2 ZINC000310535665 971975502 /nfs/dbraw/zinc/97/55/02/971975502.db2.gz RCXNPCUYHHGHLG-UHFFFAOYSA-N 0 1 235.302 2.906 20 10 BFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140585363 960445431 /nfs/dbraw/zinc/44/54/31/960445431.db2.gz GXQHLDSENDJRPI-PELKAZGASA-N 0 1 239.265 2.655 20 10 BFCDMN Cc1ccc(O)c(CN(C)Cc2cncs2)c1 ZINC001140623118 960464750 /nfs/dbraw/zinc/46/47/50/960464750.db2.gz FZPRGRXZNPKOQV-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN CCC[N@@H+](CC)Cc1cc(F)c(F)cc1[O-] ZINC001142502832 961458533 /nfs/dbraw/zinc/45/85/33/961458533.db2.gz YJHVVRCAIDRASQ-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN CC[C@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142512770 961463985 /nfs/dbraw/zinc/46/39/85/961463985.db2.gz KHZYPVLWDVUOHC-QMMMGPOBSA-N 0 1 229.270 2.901 20 10 BFCDMN CCc1cc(C[N@@H+](C)Cc2ccccc2O)on1 ZINC001203226561 966570595 /nfs/dbraw/zinc/57/05/95/966570595.db2.gz OQRKMWPTRYQSOR-UHFFFAOYSA-N 0 1 246.310 2.575 20 10 BFCDMN CCc1cc(CN(C)Cc2ccccc2O)on1 ZINC001203226561 966570603 /nfs/dbraw/zinc/57/06/03/966570603.db2.gz OQRKMWPTRYQSOR-UHFFFAOYSA-N 0 1 246.310 2.575 20 10 BFCDMN C[C@@]1(F)CCN(Cc2ccccc2O)C[C@@H]1F ZINC001203550514 966682105 /nfs/dbraw/zinc/68/21/05/966682105.db2.gz WSCNSXLZKPTCLJ-QWHCGFSZSA-N 0 1 241.281 2.664 20 10 BFCDMN C[C@@H]1CCCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204274728 966955578 /nfs/dbraw/zinc/95/55/78/966955578.db2.gz HQHCMUPYINQQLD-LLVKDONJSA-N 0 1 235.327 2.862 20 10 BFCDMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204274728 966955590 /nfs/dbraw/zinc/95/55/90/966955590.db2.gz HQHCMUPYINQQLD-LLVKDONJSA-N 0 1 235.327 2.862 20 10 BFCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)CC1CC1 ZINC001232258967 977978805 /nfs/dbraw/zinc/97/88/05/977978805.db2.gz FTTONDIDRMLAFE-UHFFFAOYSA-N 0 1 241.718 2.593 20 10 BFCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)CC1CC1 ZINC001232258967 977978810 /nfs/dbraw/zinc/97/88/10/977978810.db2.gz FTTONDIDRMLAFE-UHFFFAOYSA-N 0 1 241.718 2.593 20 10 BFCDMN CC[NH+](CC)Cc1cc(Cl)c([O-])cc1O ZINC001232259329 977982618 /nfs/dbraw/zinc/98/26/18/977982618.db2.gz VZEGSMNGBKJJTE-UHFFFAOYSA-N 0 1 229.707 2.593 20 10 BFCDMN COc1cc(O)c(CN2CC[C@H]2C)cc1Cl ZINC001232266402 977987943 /nfs/dbraw/zinc/98/79/43/977987943.db2.gz NPSZACHENKBPBX-MRVPVSSYSA-N 0 1 241.718 2.648 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233331984 978564397 /nfs/dbraw/zinc/56/43/97/978564397.db2.gz SKTMKZCYMQMSTH-QMMMGPOBSA-N 0 1 227.254 2.655 20 10 BFCDMN CCN(Cc1cnc(C)o1)Cc1ccccc1O ZINC001233367668 978580660 /nfs/dbraw/zinc/58/06/60/978580660.db2.gz XBPNTSKBGLZAHZ-UHFFFAOYSA-N 0 1 246.310 2.711 20 10 BFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]2C)c(Cl)c1 ZINC001236797418 979740248 /nfs/dbraw/zinc/74/02/48/979740248.db2.gz DXVZMDWCFKPBCR-MRVPVSSYSA-N 0 1 241.718 2.648 20 10 BFCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]2C)c(Cl)c1 ZINC001236797418 979740260 /nfs/dbraw/zinc/74/02/60/979740260.db2.gz DXVZMDWCFKPBCR-MRVPVSSYSA-N 0 1 241.718 2.648 20 10 BFCDMN CCc1ccc(CN2CCOCC2(C)C)c(O)c1 ZINC001236795321 979740434 /nfs/dbraw/zinc/74/04/34/979740434.db2.gz UCCWWNKLKYEARY-UHFFFAOYSA-N 0 1 249.354 2.565 20 10 BFCDMN COc1cc(C)c(C[N@H+]2CCC[C@H]2C)c(O)c1 ZINC001236814187 979746513 /nfs/dbraw/zinc/74/65/13/979746513.db2.gz QFNBBNDIBFEWQM-LLVKDONJSA-N 0 1 235.327 2.694 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236815760 979747545 /nfs/dbraw/zinc/74/75/45/979747545.db2.gz NZNBLEACQCXAOP-GFCCVEGCSA-N 0 1 249.354 2.941 20 10 BFCDMN CC(C)c1ccc(CN2CCOC[C@@H]2C)c(O)c1 ZINC001237045818 979806513 /nfs/dbraw/zinc/80/65/13/979806513.db2.gz LHXKVJKEPVQKCS-LBPRGKRZSA-N 0 1 249.354 2.736 20 10 BFCDMN CCC[N@@H+](CCOC)Cc1c(C)cccc1O ZINC001237483929 979912311 /nfs/dbraw/zinc/91/23/11/979912311.db2.gz WDOXHTPVRPIOGL-UHFFFAOYSA-N 0 1 237.343 2.559 20 10 BFCDMN Oc1c(Cl)cc(F)cc1CN1CCCCO1 ZINC001237808209 980055088 /nfs/dbraw/zinc/05/50/88/980055088.db2.gz SAWANAIFBMQTRR-UHFFFAOYSA-N 0 1 245.681 2.712 20 10 BFCDMN C[C@@H]1CC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808515 980057263 /nfs/dbraw/zinc/05/72/63/980057263.db2.gz TVMCNRGKYYYICB-SSDOTTSWSA-N 0 1 229.682 2.779 20 10 BFCDMN COc1ccc(-c2nccc3c2ccn3C)cn1 ZINC001239722274 980875501 /nfs/dbraw/zinc/87/55/01/980875501.db2.gz ZGCTWKIZCQHWMK-UHFFFAOYSA-N 0 1 239.278 2.644 20 10 BFCDMN CC(C)=Cc1ccc(N2CCN(C)CC2)cc1 ZINC001240635150 981528113 /nfs/dbraw/zinc/52/81/13/981528113.db2.gz BRFOMCCWKLNKJF-UHFFFAOYSA-N 0 1 230.355 2.862 20 10 BFCDMN Cc1noc(C)c1CN(C)Cc1ccc(N)cc1 ZINC001352787613 982578311 /nfs/dbraw/zinc/57/83/11/982578311.db2.gz HECPDBRLVNQEIH-UHFFFAOYSA-N 0 1 245.326 2.506 20 10 BFCDMN C[C@@H](CC1CC1)[N@H+]1CCc2cccc(O)c2C1 ZINC001258469740 985929065 /nfs/dbraw/zinc/92/90/65/985929065.db2.gz ATTDBDPEPWPLPF-NSHDSACASA-N 0 1 231.339 2.939 20 10 BFCDMN C[N@H+](CCCF)Cc1ccc(Cl)cc1[O-] ZINC001462595737 986450965 /nfs/dbraw/zinc/45/09/65/986450965.db2.gz OZALTKUZCFBHSH-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN C[N@@H+](CCCF)Cc1ccc(Cl)cc1[O-] ZINC001462595737 986450988 /nfs/dbraw/zinc/45/09/88/986450988.db2.gz OZALTKUZCFBHSH-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506707 986897637 /nfs/dbraw/zinc/89/76/37/986897637.db2.gz KSUKFACHUJWLBD-MWLCHTKSSA-N 0 1 237.730 2.887 20 10 BFCDMN CC(C)C[N@@H+](C)Cc1c([O-])cccc1F ZINC001137831917 990857773 /nfs/dbraw/zinc/85/77/73/990857773.db2.gz SCQSJDGNSNJQNH-UHFFFAOYSA-N 0 1 211.280 2.619 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001138129647 990885539 /nfs/dbraw/zinc/88/55/39/990885539.db2.gz PAEMONVSHTXHIT-JOYOIKCWSA-N 0 1 221.275 2.516 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC2(CC2)C1 ZINC001139681654 991315194 /nfs/dbraw/zinc/31/51/94/991315194.db2.gz WIPWPQFYLNUTCR-UHFFFAOYSA-N 0 1 239.265 2.656 20 10 BFCDMN CCC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140461161 991642995 /nfs/dbraw/zinc/64/29/95/991642995.db2.gz FRQZYBIJXFWOLT-UHFFFAOYSA-N 0 1 213.708 2.887 20 10 BFCDMN CCC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140461161 991642999 /nfs/dbraw/zinc/64/29/99/991642999.db2.gz FRQZYBIJXFWOLT-UHFFFAOYSA-N 0 1 213.708 2.887 20 10 BFCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C)cc1C ZINC000173529224 178194868 /nfs/dbraw/zinc/19/48/68/178194868.db2.gz ONOZJGCXSYXOHC-GFCCVEGCSA-N 0 1 219.328 2.993 20 10 BFCDMN C[C@@H]([NH2+][C@@H](C)CO)c1ccc2ccccc2c1[O-] ZINC000035603360 343299620 /nfs/dbraw/zinc/29/96/20/343299620.db2.gz UANAHFYVSDDWSG-WDEREUQCSA-N 0 1 245.322 2.577 20 10 BFCDMN C[C@@H](NCc1nccs1)c1ccccc1O ZINC000041011670 343412421 /nfs/dbraw/zinc/41/24/21/343412421.db2.gz QMEGTGKQUBGDNN-SECBINFHSA-N 0 1 234.324 2.700 20 10 BFCDMN CC(C)(C)[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000280589410 188383254 /nfs/dbraw/zinc/38/32/54/188383254.db2.gz XIHCHINJZSDASI-CQSZACIVSA-N 0 1 249.354 2.639 20 10 BFCDMN CN(C)c1ccc(CNCc2ccoc2)cc1F ZINC000066991530 368672586 /nfs/dbraw/zinc/67/25/86/368672586.db2.gz OGTJZCNJMYWXFZ-UHFFFAOYSA-N 0 1 248.301 2.775 20 10 BFCDMN CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323116 169080478 /nfs/dbraw/zinc/08/04/78/169080478.db2.gz PLAFHEAUWBBCAI-UHFFFAOYSA-N 0 1 239.290 2.576 20 10 BFCDMN Oc1ccc(Cl)cc1CN1CCSCC1 ZINC000040829036 183273279 /nfs/dbraw/zinc/27/32/79/183273279.db2.gz UQMUMNHHVWCVRR-UHFFFAOYSA-N 0 1 243.759 2.594 20 10 BFCDMN CCCOc1ccc(CN(C)CCF)c(O)c1 ZINC000293513213 169318467 /nfs/dbraw/zinc/31/84/67/169318467.db2.gz AKPQPVSEAKAOJK-UHFFFAOYSA-N 0 1 241.306 2.582 20 10 BFCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000083551532 384310773 /nfs/dbraw/zinc/31/07/73/384310773.db2.gz NXIYUGOXWUPPNK-MRVPVSSYSA-N 0 1 225.719 2.934 20 10 BFCDMN C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000295948717 386112076 /nfs/dbraw/zinc/11/20/76/386112076.db2.gz GYJPTWMAYWIGGY-ZDUSSCGKSA-N 0 1 241.281 2.855 20 10 BFCDMN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000280471665 386817650 /nfs/dbraw/zinc/81/76/50/386817650.db2.gz NDSXSPWFSUUMSE-OCCSQVGLSA-N 0 1 249.354 2.518 20 10 BFCDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000280471665 386817654 /nfs/dbraw/zinc/81/76/54/386817654.db2.gz NDSXSPWFSUUMSE-OCCSQVGLSA-N 0 1 249.354 2.518 20 10 BFCDMN C[C@@H]1c2cccn2CCN1Cc1ccccc1O ZINC000179881949 134324837 /nfs/dbraw/zinc/32/48/37/134324837.db2.gz NGRBPYGRLQTCEF-GFCCVEGCSA-N 0 1 242.322 2.771 20 10 BFCDMN COCCCCC[N@@H+](C)Cc1ccccc1O ZINC000116879172 174175981 /nfs/dbraw/zinc/17/59/81/174175981.db2.gz ZJNQZDDGQHKLNB-UHFFFAOYSA-N 0 1 237.343 2.641 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165415633 176110085 /nfs/dbraw/zinc/11/00/85/176110085.db2.gz LCWDUJFBTNUFBT-SECBINFHSA-N 0 1 209.264 2.516 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000894861667 583535037 /nfs/dbraw/zinc/53/50/37/583535037.db2.gz LPLPJDNQLLDPQG-YUMQZZPRSA-N 0 1 227.254 2.511 20 10 BFCDMN CN(C)c1cc(F)c(CN2CCCC2)cc1F ZINC000858090297 588932091 /nfs/dbraw/zinc/93/20/91/588932091.db2.gz LHVUXNYSJNLCET-UHFFFAOYSA-N 0 1 240.297 2.627 20 10 BFCDMN C/C=C/CNCc1cc(F)c(N(C)C)cc1F ZINC000858290491 588942390 /nfs/dbraw/zinc/94/23/90/588942390.db2.gz FKSAGEIELZECMR-SNAWJCMRSA-N 0 1 240.297 2.697 20 10 BFCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000898421450 584133543 /nfs/dbraw/zinc/13/35/43/584133543.db2.gz BRZXFXSPJCAWBV-OCCSQVGLSA-N 0 1 249.379 2.577 20 10 BFCDMN CCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000746074725 585162992 /nfs/dbraw/zinc/16/29/92/585162992.db2.gz KSWHVXBJLAVTOX-UHFFFAOYSA-N 0 1 230.311 2.782 20 10 BFCDMN CCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000746074725 585162993 /nfs/dbraw/zinc/16/29/93/585162993.db2.gz KSWHVXBJLAVTOX-UHFFFAOYSA-N 0 1 230.311 2.782 20 10 BFCDMN C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)S1 ZINC000770510882 585575187 /nfs/dbraw/zinc/57/51/87/585575187.db2.gz UHFBMOLGXXEBLF-PHIMTYICSA-N 0 1 237.368 2.718 20 10 BFCDMN Cc1cc(C)c([C@H](C)NCc2ccon2)c(O)c1 ZINC000815585897 586688282 /nfs/dbraw/zinc/68/82/82/586688282.db2.gz VCMLACPVUHGWMI-NSHDSACASA-N 0 1 246.310 2.848 20 10 BFCDMN [O-]c1c(C[NH2+]CCCF)ccc2ccccc21 ZINC000816556366 586740889 /nfs/dbraw/zinc/74/08/89/586740889.db2.gz HFAWBYIPHHFSAL-UHFFFAOYSA-N 0 1 233.286 2.995 20 10 BFCDMN CO[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816587247 586742659 /nfs/dbraw/zinc/74/26/59/586742659.db2.gz GXXVBRCPBHPKTB-NSHDSACASA-N 0 1 245.322 2.670 20 10 BFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC23CC3)c(Cl)c1 ZINC000818231590 586880526 /nfs/dbraw/zinc/88/05/26/586880526.db2.gz YMHOSYLNDQBIGU-LBPRGKRZSA-N 0 1 237.730 2.996 20 10 BFCDMN Oc1c(F)cc(Cl)cc1CN1CC[C@H](F)C1 ZINC000824571155 587277023 /nfs/dbraw/zinc/27/70/23/587277023.db2.gz KSOQINVLZXWHFQ-VIFPVBQESA-N 0 1 247.672 2.729 20 10 BFCDMN Cc1cccc(C[N@@H+](C)CC2=CCSC2)c1O ZINC000827804999 587403281 /nfs/dbraw/zinc/40/32/81/587403281.db2.gz DMOOBZGHCUETII-UHFFFAOYSA-N 0 1 249.379 2.806 20 10 BFCDMN CN(C)c1ccc(/C=C\CN2CC3(CC3)C2)cc1 ZINC000835053405 587779615 /nfs/dbraw/zinc/77/96/15/587779615.db2.gz BYSHTILNFKLWCM-ARJAWSKDSA-N 0 1 242.366 2.862 20 10 BFCDMN Cc1cc(N(C)C)ccc1CN1CC[C@@H](F)C1 ZINC000840950786 587931693 /nfs/dbraw/zinc/93/16/93/587931693.db2.gz NQXIWDKGVRUCLK-CYBMUJFWSA-N 0 1 236.334 2.605 20 10 BFCDMN C[C@H]([NH2+]CCF)c1ccc(Cl)cc1[O-] ZINC000841751866 587973795 /nfs/dbraw/zinc/97/37/95/587973795.db2.gz KZZPZOVDCINVET-ZETCQYMHSA-N 0 1 217.671 2.666 20 10 BFCDMN CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746179 587973818 /nfs/dbraw/zinc/97/38/18/587973818.db2.gz VZNUQILOSIMADD-VIFPVBQESA-N 0 1 243.734 2.733 20 10 BFCDMN COC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744726 587973874 /nfs/dbraw/zinc/97/38/74/587973874.db2.gz SFQWTUKFVWDTNF-RKDXNWHRSA-N 0 1 243.734 2.731 20 10 BFCDMN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753088 587974079 /nfs/dbraw/zinc/97/40/79/587974079.db2.gz SAOOTNVKKDTHFY-DTWKUNHWSA-N 0 1 243.734 2.731 20 10 BFCDMN COc1cc(C)cc(C[N@@H+](C)[C@H](C)C2CC2)c1O ZINC000874090345 590090237 /nfs/dbraw/zinc/09/02/37/590090237.db2.gz BZNNRVXGWFJPSD-LLVKDONJSA-N 0 1 249.354 2.940 20 10 BFCDMN Cc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)c(O)c1 ZINC000876879888 590253008 /nfs/dbraw/zinc/25/30/08/590253008.db2.gz WQOFVPSVRFQVNS-CYBMUJFWSA-N 0 1 219.328 2.931 20 10 BFCDMN Cc1nc(CNCc2ccc(C)cc2O)cs1 ZINC000876914665 590256295 /nfs/dbraw/zinc/25/62/95/590256295.db2.gz UOKITHXZGUJMFF-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN Cc1cnc(CNCc2ccc(C)cc2O)s1 ZINC000877043330 590274083 /nfs/dbraw/zinc/27/40/83/590274083.db2.gz GIAUPORXBVAWLV-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000877566002 590360957 /nfs/dbraw/zinc/36/09/57/590360957.db2.gz UHBTYVDAABXZFD-DOMZBBRYSA-N 0 1 249.354 2.557 20 10 BFCDMN Cc1occc1CN1Cc2cccc(O)c2C1 ZINC000877702729 590396088 /nfs/dbraw/zinc/39/60/88/590396088.db2.gz FOHPHHLLTXVORA-UHFFFAOYSA-N 0 1 229.279 2.809 20 10 BFCDMN CSC1(C[N@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000877702903 590396171 /nfs/dbraw/zinc/39/61/71/590396171.db2.gz JJRLSQFSNLXSMO-UHFFFAOYSA-N 0 1 249.379 2.994 20 10 BFCDMN C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000877755559 590416642 /nfs/dbraw/zinc/41/66/42/590416642.db2.gz FOZBGNCVAOUENY-JHJVBQTASA-N 0 1 248.370 2.526 20 10 BFCDMN CS[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000128013870 590879234 /nfs/dbraw/zinc/87/92/34/590879234.db2.gz GFEKDMHDTWHGRA-MRVPVSSYSA-N 0 1 245.775 2.887 20 10 BFCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132666488 591728099 /nfs/dbraw/zinc/72/80/99/591728099.db2.gz LVPZFSTYOPIZBN-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000132666488 591728102 /nfs/dbraw/zinc/72/81/02/591728102.db2.gz LVPZFSTYOPIZBN-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132658839 591728724 /nfs/dbraw/zinc/72/87/24/591728724.db2.gz OPGQNUXSCVGBBH-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132658839 591728725 /nfs/dbraw/zinc/72/87/25/591728725.db2.gz OPGQNUXSCVGBBH-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN CC(C)OCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134122101 591890545 /nfs/dbraw/zinc/89/05/45/591890545.db2.gz WMWJKPVWSRWSRJ-UHFFFAOYSA-N 0 1 243.734 2.560 20 10 BFCDMN COC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134900889 591957708 /nfs/dbraw/zinc/95/77/08/591957708.db2.gz DPFZFVQMHWCHEZ-DTWKUNHWSA-N 0 1 243.734 2.731 20 10 BFCDMN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000136401926 592117015 /nfs/dbraw/zinc/11/70/15/592117015.db2.gz NXFWUGRGXMQVOS-DTWKUNHWSA-N 0 1 225.719 2.791 20 10 BFCDMN Oc1cccc2c1[C@@H](NCc1cscn1)CC2 ZINC000310232148 635438455 /nfs/dbraw/zinc/43/84/55/635438455.db2.gz HCOBEPPZHOJYJW-NSHDSACASA-N 0 1 246.335 2.626 20 10 BFCDMN Cc1nc(CNCc2cc(C)ccc2O)cs1 ZINC000071408308 643142175 /nfs/dbraw/zinc/14/21/75/643142175.db2.gz AKUHACINGGJICP-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN COCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000044655790 643547123 /nfs/dbraw/zinc/54/71/23/643547123.db2.gz BKGXVPGUYVJYRB-UHFFFAOYSA-N 0 1 243.734 2.562 20 10 BFCDMN CC[C@H](NCc1cocn1)c1ccccc1O ZINC000397883193 711395444 /nfs/dbraw/zinc/39/54/44/711395444.db2.gz APXAFPSEGYZWLA-LBPRGKRZSA-N 0 1 232.283 2.621 20 10 BFCDMN CC(C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703447915 712076024 /nfs/dbraw/zinc/07/60/24/712076024.db2.gz NXHULTWBIGNRRQ-UHFFFAOYSA-N 0 1 215.243 2.511 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703484782 712076456 /nfs/dbraw/zinc/07/64/56/712076456.db2.gz YUNDWIRHZFQTIW-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000706924237 712161113 /nfs/dbraw/zinc/16/11/13/712161113.db2.gz VNMPABLKQUBEQP-ZDUSSCGKSA-N 0 1 235.302 2.954 20 10 BFCDMN Cc1nccc(NCc2ccccc2O)c1Cl ZINC000379953120 712636145 /nfs/dbraw/zinc/63/61/45/712636145.db2.gz JLCJOUACOMBVCT-UHFFFAOYSA-N 0 1 248.713 2.783 20 10 BFCDMN Cc1coc(CNCc2ccc(N(C)C)cc2)c1 ZINC000718095285 712742323 /nfs/dbraw/zinc/74/23/23/712742323.db2.gz ALELOACUZSLZEN-UHFFFAOYSA-N 0 1 244.338 2.944 20 10 BFCDMN C[N@@H+](CCC1CC1)Cc1cc(F)c(F)cc1[O-] ZINC001142526927 961478217 /nfs/dbraw/zinc/47/82/17/961478217.db2.gz CASCPHYQLRNJFH-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN CC(F)(F)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000697552627 964312863 /nfs/dbraw/zinc/31/28/63/964312863.db2.gz AMMZYXMCOUSYPS-UHFFFAOYSA-N 0 1 235.661 2.790 20 10 BFCDMN CC(F)(F)CNCc1cccc(Cl)c1O ZINC000697552627 964312878 /nfs/dbraw/zinc/31/28/78/964312878.db2.gz AMMZYXMCOUSYPS-UHFFFAOYSA-N 0 1 235.661 2.790 20 10 BFCDMN CC[N@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264542 977986003 /nfs/dbraw/zinc/98/60/03/977986003.db2.gz INVYTTCSQVULGP-UHFFFAOYSA-N 0 1 229.707 2.506 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264542 977986012 /nfs/dbraw/zinc/98/60/12/977986012.db2.gz INVYTTCSQVULGP-UHFFFAOYSA-N 0 1 229.707 2.506 20 10 BFCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)C(C)(C)C ZINC001232261696 977988454 /nfs/dbraw/zinc/98/84/54/977988454.db2.gz MHBMWPZDEXZCPZ-UHFFFAOYSA-N 0 1 243.734 2.982 20 10 BFCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)C(C)(C)C ZINC001232261696 977988464 /nfs/dbraw/zinc/98/84/64/977988464.db2.gz MHBMWPZDEXZCPZ-UHFFFAOYSA-N 0 1 243.734 2.982 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694239573 959810328 /nfs/dbraw/zinc/81/03/28/959810328.db2.gz YEMFVUDWNQNLOO-JIMOISOXSA-N 0 1 235.302 2.810 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](F)C1 ZINC000689864957 960296749 /nfs/dbraw/zinc/29/67/49/960296749.db2.gz WNOWACAJNJUSDD-SECBINFHSA-N 0 1 229.682 2.589 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C=CCC1 ZINC000698217254 965112747 /nfs/dbraw/zinc/11/27/47/965112747.db2.gz WLFVFCVTHVPGRV-SECBINFHSA-N 0 1 223.703 2.854 20 10 BFCDMN COCC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203555880 966688535 /nfs/dbraw/zinc/68/85/35/966688535.db2.gz IIMDIRAHVQZVFA-CQSZACIVSA-N 0 1 249.354 2.783 20 10 BFCDMN Oc1ccc(CN2CC3(C2)CCCCC3)cc1O ZINC001203880543 966810122 /nfs/dbraw/zinc/81/01/22/966810122.db2.gz VJLJSEDXBXRXFC-UHFFFAOYSA-N 0 1 247.338 2.864 20 10 BFCDMN COc1cc(C)c(C[N@@H+]2CC=C(C)CC2)c(O)c1 ZINC001204768847 967161312 /nfs/dbraw/zinc/16/13/12/967161312.db2.gz NGMITISZVVPUTO-UHFFFAOYSA-N 0 1 247.338 2.861 20 10 BFCDMN CC[N@@H+](Cc1ccccc1O)[C@H]1COC(C)(C)C1 ZINC001172288958 974554023 /nfs/dbraw/zinc/55/40/23/974554023.db2.gz PAIYQUKJNDJDML-CYBMUJFWSA-N 0 1 249.354 2.782 20 10 BFCDMN Cc1cc(Nc2ccc(F)c(F)c2[O-])cc[nH+]1 ZINC001174657843 976953215 /nfs/dbraw/zinc/95/32/15/976953215.db2.gz RSLKRLIIQUQVQZ-UHFFFAOYSA-N 0 1 236.221 2.539 20 10 BFCDMN Cc1cc(C)c(CN2CC(OC(C)C)C2)c(O)c1 ZINC001231849666 977768641 /nfs/dbraw/zinc/76/86/41/977768641.db2.gz UIQGMULJQRCAFN-UHFFFAOYSA-N 0 1 249.354 2.618 20 10 BFCDMN CC(C)C[N@H+](C)Cc1cc(Cl)c([O-])cc1O ZINC001232259093 977978613 /nfs/dbraw/zinc/97/86/13/977978613.db2.gz RWNAHRQVYHHPHR-UHFFFAOYSA-N 0 1 243.734 2.839 20 10 BFCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)c([O-])cc1O ZINC001232259093 977978622 /nfs/dbraw/zinc/97/86/22/977978622.db2.gz RWNAHRQVYHHPHR-UHFFFAOYSA-N 0 1 243.734 2.839 20 10 BFCDMN [O-]c1c(C[N@H+]2CCCC23CC3)ccc(F)c1F ZINC001233074003 978457164 /nfs/dbraw/zinc/45/71/64/978457164.db2.gz HNXDWTDAKKUYBZ-UHFFFAOYSA-N 0 1 239.265 2.799 20 10 BFCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277396 978930547 /nfs/dbraw/zinc/93/05/47/978930547.db2.gz CLGBEENNXPTUJT-PHIMTYICSA-N 0 1 235.327 2.576 20 10 BFCDMN CC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1O ZINC001235674951 979111365 /nfs/dbraw/zinc/11/13/65/979111365.db2.gz JQRAJVRWLGYXNM-UHFFFAOYSA-N 0 1 249.354 2.711 20 10 BFCDMN COc1cc([O-])c(C[NH+]2CC(C)C2)c(Cl)c1 ZINC001236797931 979742138 /nfs/dbraw/zinc/74/21/38/979742138.db2.gz JXNHSWJAKHKCGJ-UHFFFAOYSA-N 0 1 241.718 2.506 20 10 BFCDMN COc1cc(O)c(CN2CC(C)C2)c(Cl)c1 ZINC001236797931 979742152 /nfs/dbraw/zinc/74/21/52/979742152.db2.gz JXNHSWJAKHKCGJ-UHFFFAOYSA-N 0 1 241.718 2.506 20 10 BFCDMN CC(C)[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001203562977 979812651 /nfs/dbraw/zinc/81/26/51/979812651.db2.gz SACKKQRRNRFXID-UHFFFAOYSA-N 0 1 249.354 2.782 20 10 BFCDMN CC(C)[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC001203562977 979812653 /nfs/dbraw/zinc/81/26/53/979812653.db2.gz SACKKQRRNRFXID-UHFFFAOYSA-N 0 1 249.354 2.782 20 10 BFCDMN Cn1ccc2ncc(-c3ccc4cncn4c3)cc21 ZINC001245896703 987125024 /nfs/dbraw/zinc/12/50/24/987125024.db2.gz UFXDHWUFCLZZRN-UHFFFAOYSA-N 0 1 248.289 2.888 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001137837403 990855305 /nfs/dbraw/zinc/85/53/05/990855305.db2.gz FTEFIZKYLGAVCI-JTQLQIEISA-N 0 1 241.281 2.713 20 10 BFCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833071 990856117 /nfs/dbraw/zinc/85/61/17/990856117.db2.gz REAROZCMFGECIO-UWVGGRQHSA-N 0 1 241.281 2.711 20 10 BFCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123630 990887583 /nfs/dbraw/zinc/88/75/83/990887583.db2.gz DAGSFKPHWVZEOC-ONGXEEELSA-N 0 1 241.281 2.711 20 10 BFCDMN CCOCC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308680446 991096503 /nfs/dbraw/zinc/09/65/03/991096503.db2.gz VAUUZKRMWUWVAT-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CCOCC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308680446 991096514 /nfs/dbraw/zinc/09/65/14/991096514.db2.gz VAUUZKRMWUWVAT-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1CF ZINC001139688793 991318197 /nfs/dbraw/zinc/31/81/97/991318197.db2.gz ANBVQRSLYUNXKQ-MRVPVSSYSA-N 0 1 245.244 2.604 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1CF ZINC001139688793 991318210 /nfs/dbraw/zinc/31/82/10/991318210.db2.gz ANBVQRSLYUNXKQ-MRVPVSSYSA-N 0 1 245.244 2.604 20 10 BFCDMN CC[N@H+](CCOC)Cc1ccc(Cl)cc1[O-] ZINC001140461063 991644320 /nfs/dbraw/zinc/64/43/20/991644320.db2.gz DAOHQMOJIPOYCQ-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CC[N@@H+](CCOC)Cc1ccc(Cl)cc1[O-] ZINC001140461063 991644323 /nfs/dbraw/zinc/64/43/23/991644323.db2.gz DAOHQMOJIPOYCQ-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN C[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140463100 991644605 /nfs/dbraw/zinc/64/46/05/991644605.db2.gz SJSUVDSGHVQGPE-QMMMGPOBSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140463100 991644607 /nfs/dbraw/zinc/64/46/07/991644607.db2.gz SJSUVDSGHVQGPE-QMMMGPOBSA-N 0 1 211.692 2.640 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC001560942667 991662627 /nfs/dbraw/zinc/66/26/27/991662627.db2.gz SLBBNKMRUKOUER-MWLCHTKSSA-N 0 1 237.730 2.887 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC001560942667 991662630 /nfs/dbraw/zinc/66/26/30/991662630.db2.gz SLBBNKMRUKOUER-MWLCHTKSSA-N 0 1 237.730 2.887 20 10 BFCDMN Cc1cccnc1CN1Cc2cccc(O)c2C1 ZINC001262011889 992597623 /nfs/dbraw/zinc/59/76/23/992597623.db2.gz CMJQKBMXHUNNOV-UHFFFAOYSA-N 0 1 240.306 2.611 20 10 BFCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CF)cc1C ZINC000293933764 178194739 /nfs/dbraw/zinc/19/47/39/178194739.db2.gz HOMXMZQBCCBIOY-CYBMUJFWSA-N 0 1 237.318 2.943 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CC(F)(F)C1 ZINC000277428675 183292923 /nfs/dbraw/zinc/29/29/23/183292923.db2.gz HDEUJGUFBLGBPS-UHFFFAOYSA-N 0 1 247.672 2.933 20 10 BFCDMN Oc1ccccc1CNc1ccc2c(n1)CCC2 ZINC000228427539 183304103 /nfs/dbraw/zinc/30/41/03/183304103.db2.gz PTHKXNFZCTYCRV-UHFFFAOYSA-N 0 1 240.306 2.888 20 10 BFCDMN CCC[C@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000093508876 384245500 /nfs/dbraw/zinc/24/55/00/384245500.db2.gz OUAOMMYCLYZHQC-AWEZNQCLSA-N 0 1 249.354 2.702 20 10 BFCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093839291 384271719 /nfs/dbraw/zinc/27/17/19/384271719.db2.gz MPLODLCPPFPZKQ-ZDUSSCGKSA-N 0 1 249.354 2.559 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1CF ZINC000294077004 385799175 /nfs/dbraw/zinc/79/91/75/385799175.db2.gz QVRJBOXGLVXOLN-SNVBAGLBSA-N 0 1 243.709 2.980 20 10 BFCDMN C[N@@H+](CCC1CC1)Cc1cccc(F)c1[O-] ZINC000272447853 385903745 /nfs/dbraw/zinc/90/37/45/385903745.db2.gz PEIHTSDGEKSKSJ-UHFFFAOYSA-N 0 1 223.291 2.763 20 10 BFCDMN Cc1csc(CNCc2cccc(C)c2O)n1 ZINC000124692920 386680858 /nfs/dbraw/zinc/68/08/58/386680858.db2.gz WRAJIHAIBGTTKU-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000280471660 386817978 /nfs/dbraw/zinc/81/79/78/386817978.db2.gz NDSXSPWFSUUMSE-GXTWGEPZSA-N 0 1 249.354 2.518 20 10 BFCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000280471660 386817982 /nfs/dbraw/zinc/81/79/82/386817982.db2.gz NDSXSPWFSUUMSE-GXTWGEPZSA-N 0 1 249.354 2.518 20 10 BFCDMN CC(C)OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000134119541 167241754 /nfs/dbraw/zinc/24/17/54/167241754.db2.gz WIBJJSNZAPYNOR-UHFFFAOYSA-N 0 1 243.734 2.560 20 10 BFCDMN CC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824547813 587275509 /nfs/dbraw/zinc/27/55/09/587275509.db2.gz CQLKZWHKJKPPLL-UHFFFAOYSA-N 0 1 213.708 2.806 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824547813 587275510 /nfs/dbraw/zinc/27/55/10/587275510.db2.gz CQLKZWHKJKPPLL-UHFFFAOYSA-N 0 1 213.708 2.806 20 10 BFCDMN Cc1ncccc1CN1Cc2cccc(O)c2C1 ZINC000877702597 583343308 /nfs/dbraw/zinc/34/33/08/583343308.db2.gz CYRLSXPQZDYNIR-UHFFFAOYSA-N 0 1 240.306 2.611 20 10 BFCDMN CC1=CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894648803 583500557 /nfs/dbraw/zinc/50/05/57/583500557.db2.gz LQXPRQVOPFCEOR-UHFFFAOYSA-N 0 1 239.265 2.822 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894862458 583536770 /nfs/dbraw/zinc/53/67/70/583536770.db2.gz YUIKOGASBYUDDJ-JGVFFNPUSA-N 0 1 227.254 2.511 20 10 BFCDMN Oc1c(CN2CC[C@@H]2C(F)F)ccc(F)c1F ZINC000895430783 583670267 /nfs/dbraw/zinc/67/02/67/583670267.db2.gz HNBSCNKCRDUIRR-MRVPVSSYSA-N 0 1 249.207 2.510 20 10 BFCDMN CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000895929124 583748487 /nfs/dbraw/zinc/74/84/87/583748487.db2.gz XPPGBKGJVCVWAF-OCCSQVGLSA-N 0 1 249.354 2.700 20 10 BFCDMN [O-]c1ccccc1C[N@@H+](CCCO)C1CCCC1 ZINC000731845942 584929619 /nfs/dbraw/zinc/92/96/19/584929619.db2.gz OJSDRKFFRUJPEF-UHFFFAOYSA-N 0 1 249.354 2.519 20 10 BFCDMN [O-]c1ccccc1C[N@H+](CCCO)C1CCCC1 ZINC000731845942 584929620 /nfs/dbraw/zinc/92/96/20/584929620.db2.gz OJSDRKFFRUJPEF-UHFFFAOYSA-N 0 1 249.354 2.519 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC=CCC1 ZINC000779159405 585746023 /nfs/dbraw/zinc/74/60/23/585746023.db2.gz IVQZOQCPUBBNDY-UHFFFAOYSA-N 0 1 223.703 2.808 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC=CCC1 ZINC000779159405 585746024 /nfs/dbraw/zinc/74/60/24/585746024.db2.gz IVQZOQCPUBBNDY-UHFFFAOYSA-N 0 1 223.703 2.808 20 10 BFCDMN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000793610363 586024005 /nfs/dbraw/zinc/02/40/05/586024005.db2.gz UVTJUITZUWRBCR-CQSZACIVSA-N 0 1 249.354 2.519 20 10 BFCDMN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000793610363 586024006 /nfs/dbraw/zinc/02/40/06/586024006.db2.gz UVTJUITZUWRBCR-CQSZACIVSA-N 0 1 249.354 2.519 20 10 BFCDMN CC[C@@H](NCc1cc[nH]n1)c1ccc(C)cc1O ZINC000794808492 586049452 /nfs/dbraw/zinc/04/94/52/586049452.db2.gz ODSKGYVXRGGYGV-CYBMUJFWSA-N 0 1 245.326 2.665 20 10 BFCDMN Cc1cc(C)c([C@H](C)NCc2cc[nH]n2)c(O)c1 ZINC000815577050 586688035 /nfs/dbraw/zinc/68/80/35/586688035.db2.gz FOKKSZDRKZICBN-NSHDSACASA-N 0 1 245.326 2.583 20 10 BFCDMN Cc1cc(Cl)cc(CN(C)CCF)c1O ZINC000816640321 586747048 /nfs/dbraw/zinc/74/70/48/586747048.db2.gz DAEZPNPHELBFOK-UHFFFAOYSA-N 0 1 231.698 2.755 20 10 BFCDMN CCc1ncc(CNCc2cccc(C)c2O)o1 ZINC000825079238 587302723 /nfs/dbraw/zinc/30/27/23/587302723.db2.gz OQTXBNVJMGOJPZ-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1[O-] ZINC000841743667 587973787 /nfs/dbraw/zinc/97/37/87/587973787.db2.gz JGYXVNCNKRPGIQ-ZETCQYMHSA-N 0 1 211.692 2.859 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877565848 590360682 /nfs/dbraw/zinc/36/06/82/590360682.db2.gz RZCODHYVKLFCET-SWLSCSKDSA-N 0 1 249.354 2.557 20 10 BFCDMN CC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000128878284 591171712 /nfs/dbraw/zinc/17/17/12/591171712.db2.gz QKMQWLFYFZJACO-UHFFFAOYSA-N 0 1 225.719 2.934 20 10 BFCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132659040 591727969 /nfs/dbraw/zinc/72/79/69/591727969.db2.gz OPGQNUXSCVGBBH-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000132659040 591727973 /nfs/dbraw/zinc/72/79/73/591727973.db2.gz OPGQNUXSCVGBBH-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN CC[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164358481 640472557 /nfs/dbraw/zinc/47/25/57/640472557.db2.gz CJMMYGUVSDWHQD-AWEZNQCLSA-N 0 1 249.354 2.620 20 10 BFCDMN C[C@@H]([NH2+]CC1(C)CC1)c1cc(F)ccc1[O-] ZINC000230668043 641078351 /nfs/dbraw/zinc/07/83/51/641078351.db2.gz VCZJLQSLBWMCCZ-SECBINFHSA-N 0 1 223.291 2.982 20 10 BFCDMN C[C@H]([NH2+]CC1(C)CC1)c1cc(F)ccc1[O-] ZINC000230668047 641078619 /nfs/dbraw/zinc/07/86/19/641078619.db2.gz VCZJLQSLBWMCCZ-VIFPVBQESA-N 0 1 223.291 2.982 20 10 BFCDMN CC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070657926 643057379 /nfs/dbraw/zinc/05/73/79/643057379.db2.gz ODQBMUCSTDQBTA-LLVKDONJSA-N 0 1 243.734 2.560 20 10 BFCDMN CSC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000076769534 643478168 /nfs/dbraw/zinc/47/81/68/643478168.db2.gz JXWTZMLVUYFJIT-QMMMGPOBSA-N 0 1 245.775 2.887 20 10 BFCDMN CCc1ncc(CN(C)Cc2ccccc2O)o1 ZINC000929976356 646381951 /nfs/dbraw/zinc/38/19/51/646381951.db2.gz NRBJRCWKOFNFHO-UHFFFAOYSA-N 0 1 246.310 2.575 20 10 BFCDMN C[C@H](F)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000382425075 711940130 /nfs/dbraw/zinc/94/01/30/711940130.db2.gz XZKCIOSVZNZEOE-QMMMGPOBSA-N 0 1 231.698 2.883 20 10 BFCDMN CCCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708402994 712192955 /nfs/dbraw/zinc/19/29/55/712192955.db2.gz YJVSNVWLCICHIS-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397697925 710909094 /nfs/dbraw/zinc/90/90/94/710909094.db2.gz GQPQJHUAJCNWED-ILWJIGKKSA-N 0 1 237.730 2.934 20 10 BFCDMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2O)CCCO1 ZINC000393448870 711159015 /nfs/dbraw/zinc/15/90/15/711159015.db2.gz VFKRBPKIKIOJFQ-OAHLLOKOSA-N 0 1 249.354 2.639 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706924236 712160988 /nfs/dbraw/zinc/16/09/88/712160988.db2.gz VNMPABLKQUBEQP-CYBMUJFWSA-N 0 1 235.302 2.954 20 10 BFCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402886 712192696 /nfs/dbraw/zinc/19/26/96/712192696.db2.gz XHOUNLIXZGTIDO-RKDXNWHRSA-N 0 1 241.281 2.901 20 10 BFCDMN CCc1cccc(CN2CCOC[C@@H]2CC)c1O ZINC000709306548 712219272 /nfs/dbraw/zinc/21/92/72/712219272.db2.gz KQASCLHGDTYJCK-AWEZNQCLSA-N 0 1 249.354 2.565 20 10 BFCDMN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000379770586 712397951 /nfs/dbraw/zinc/39/79/51/712397951.db2.gz ACFXPYYWZIQDBG-GZMMTYOYSA-N 0 1 225.719 2.934 20 10 BFCDMN CC(C)[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233332085 978560997 /nfs/dbraw/zinc/56/09/97/978560997.db2.gz YCWOIYIULIYPHB-UHFFFAOYSA-N 0 1 215.243 2.511 20 10 BFCDMN CC1(F)CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237804282 980049463 /nfs/dbraw/zinc/04/94/63/980049463.db2.gz BSENLECCCZSRKN-UHFFFAOYSA-N 0 1 247.672 2.729 20 10 BFCDMN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCOCC1 ZINC001170830746 971948400 /nfs/dbraw/zinc/94/84/00/971948400.db2.gz GLAWHQFLAOEOJO-CQSZACIVSA-N 0 1 249.354 2.783 20 10 BFCDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCOCC1 ZINC001170830746 971948405 /nfs/dbraw/zinc/94/84/05/971948405.db2.gz GLAWHQFLAOEOJO-CQSZACIVSA-N 0 1 249.354 2.783 20 10 BFCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1CF ZINC001140585722 960444162 /nfs/dbraw/zinc/44/41/62/960444162.db2.gz RXSVDAGDGXIFLT-SECBINFHSA-N 0 1 245.244 2.604 20 10 BFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1CF ZINC001140585722 960444169 /nfs/dbraw/zinc/44/41/69/960444169.db2.gz RXSVDAGDGXIFLT-SECBINFHSA-N 0 1 245.244 2.604 20 10 BFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142501820 961454030 /nfs/dbraw/zinc/45/40/30/961454030.db2.gz BHCYPCGREJMTSN-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C(C)C ZINC001142502517 961456723 /nfs/dbraw/zinc/45/67/23/961456723.db2.gz QOKVLMMUNLBLPR-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN Nc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210397957 969884831 /nfs/dbraw/zinc/88/48/31/969884831.db2.gz KDFJLSBIKJHYKN-UHFFFAOYSA-N 0 1 245.238 2.626 20 10 BFCDMN CN(c1ccc(N)cc1)c1ccc2c[nH]nc2c1 ZINC001174501363 976834967 /nfs/dbraw/zinc/83/49/67/976834967.db2.gz PHMXKTOVDARVPN-UHFFFAOYSA-N 0 1 238.294 2.913 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233336752 978569714 /nfs/dbraw/zinc/56/97/14/978569714.db2.gz YHKFAJQUCMQICC-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN Oc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001204276993 978928697 /nfs/dbraw/zinc/92/86/97/978928697.db2.gz VDUBMMRYMXDINA-RYUDHWBXSA-N 0 1 247.338 2.720 20 10 BFCDMN CCc1ccc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001236787618 979728247 /nfs/dbraw/zinc/72/82/47/979728247.db2.gz IUJOIWYTCYPOMZ-NWDGAFQWSA-N 0 1 249.354 2.564 20 10 BFCDMN CCc1ccc(CN2CCOC[C@@H]2CC)c(O)c1 ZINC001236791751 979736125 /nfs/dbraw/zinc/73/61/25/979736125.db2.gz JWYWFLZKOQMKTJ-AWEZNQCLSA-N 0 1 249.354 2.565 20 10 BFCDMN COc1ccc(C[N@@H+](C)C(C)C)c([O-])c1Cl ZINC001236806276 979739218 /nfs/dbraw/zinc/73/92/18/979739218.db2.gz STCDDLOOASQUAN-UHFFFAOYSA-N 0 1 243.734 2.894 20 10 BFCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]2C)c(Cl)c1 ZINC001236797434 979741174 /nfs/dbraw/zinc/74/11/74/979741174.db2.gz DXVZMDWCFKPBCR-QMMMGPOBSA-N 0 1 241.718 2.648 20 10 BFCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]2C)c(Cl)c1 ZINC001236797434 979741187 /nfs/dbraw/zinc/74/11/87/979741187.db2.gz DXVZMDWCFKPBCR-QMMMGPOBSA-N 0 1 241.718 2.648 20 10 BFCDMN CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001203931476 982905922 /nfs/dbraw/zinc/90/59/22/982905922.db2.gz QZRWIAHCILULEI-AEGPPILISA-N 0 1 248.345 2.542 20 10 BFCDMN CCc1cccc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000692115514 985409187 /nfs/dbraw/zinc/40/91/87/985409187.db2.gz NJFPTQSGJRBGED-NEPJUHHUSA-N 0 1 249.354 2.564 20 10 BFCDMN Cn1ccc2c1nccc2-c1ccc2cncn2c1 ZINC001245896483 987123149 /nfs/dbraw/zinc/12/31/49/987123149.db2.gz CQKJVJMJDMXSLE-UHFFFAOYSA-N 0 1 248.289 2.888 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC2(CCC2)C1 ZINC001137838842 990855843 /nfs/dbraw/zinc/85/58/43/990855843.db2.gz LLPYZNPUKSHZNJ-UHFFFAOYSA-N 0 1 235.302 2.907 20 10 BFCDMN C[C@@]1(CF)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832729 990856959 /nfs/dbraw/zinc/85/69/59/990856959.db2.gz FRWXYDNFDHGXJL-ZDUSSCGKSA-N 0 1 241.281 2.713 20 10 BFCDMN CCCC[N@@H+](C)Cc1c([O-])cccc1F ZINC001137832000 990857696 /nfs/dbraw/zinc/85/76/96/990857696.db2.gz WGGUYCANJAQTGP-UHFFFAOYSA-N 0 1 211.280 2.763 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C2(CC2)C1 ZINC001138129926 990885622 /nfs/dbraw/zinc/88/56/22/990885622.db2.gz ZMCKFNMRXOIYDH-SNVBAGLBSA-N 0 1 235.302 2.906 20 10 BFCDMN CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308691680 991097761 /nfs/dbraw/zinc/09/77/61/991097761.db2.gz VGXIOLKGANQYEE-DTWKUNHWSA-N 0 1 243.734 2.559 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001139686184 991316435 /nfs/dbraw/zinc/31/64/35/991316435.db2.gz QJIVXOABQDMLEC-DTWKUNHWSA-N 0 1 239.265 2.655 20 10 BFCDMN C[C@@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140338022 991610167 /nfs/dbraw/zinc/61/01/67/991610167.db2.gz RPGPPRXPPHLQIM-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140338022 991610172 /nfs/dbraw/zinc/61/01/72/991610172.db2.gz RPGPPRXPPHLQIM-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2CC(C2)C1 ZINC001140341770 991610616 /nfs/dbraw/zinc/61/06/16/991610616.db2.gz GZBWJNQBYILKTC-UHFFFAOYSA-N 0 1 237.730 2.887 20 10 BFCDMN Cc1csc(CNCc2cc(C)ccc2O)n1 ZINC000071408223 384166215 /nfs/dbraw/zinc/16/62/15/384166215.db2.gz ZDDYOEPGUHKSAB-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN CN(C)c1ccc(CNCc2ccco2)cc1F ZINC000058474841 385012121 /nfs/dbraw/zinc/01/21/21/385012121.db2.gz JMERVQQUQKZXHE-UHFFFAOYSA-N 0 1 248.301 2.775 20 10 BFCDMN C[N@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000179793256 385492405 /nfs/dbraw/zinc/49/24/05/385492405.db2.gz JQBIERWWBZOSCW-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1CCC1 ZINC000272325828 385893708 /nfs/dbraw/zinc/89/37/08/385893708.db2.gz VHZFTZDVNBAOJA-UHFFFAOYSA-N 0 1 209.264 2.516 20 10 BFCDMN CO[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000188113435 386185902 /nfs/dbraw/zinc/18/59/02/386185902.db2.gz JMZQUFCTDXDHRA-DTWKUNHWSA-N 0 1 243.734 2.731 20 10 BFCDMN COC[C@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000375097290 387510777 /nfs/dbraw/zinc/51/07/77/387510777.db2.gz QUGKXPFPLNJPNR-ZDUSSCGKSA-N 0 1 249.354 2.641 20 10 BFCDMN COC[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000375097290 387510780 /nfs/dbraw/zinc/51/07/80/387510780.db2.gz QUGKXPFPLNJPNR-ZDUSSCGKSA-N 0 1 249.354 2.641 20 10 BFCDMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2[O-])C1 ZINC000028221894 177358949 /nfs/dbraw/zinc/35/89/49/177358949.db2.gz OFMMEOCCIXICEB-RYUDHWBXSA-N 0 1 219.328 2.870 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+]CC1CC=CC1 ZINC000529643345 324370583 /nfs/dbraw/zinc/37/05/83/324370583.db2.gz ZVXGMURTIOMFBN-UHFFFAOYSA-N 0 1 221.275 2.587 20 10 BFCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CC1 ZINC000893966196 583264094 /nfs/dbraw/zinc/26/40/94/583264094.db2.gz JICOZONNYBPHGI-UHFFFAOYSA-N 0 1 227.254 2.512 20 10 BFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000894032537 583277626 /nfs/dbraw/zinc/27/76/26/583277626.db2.gz LQTVNFJULQZUDD-UHFFFAOYSA-N 0 1 227.254 2.655 20 10 BFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000894880064 583543623 /nfs/dbraw/zinc/54/36/23/583543623.db2.gz BUVMDZCKPSJJFM-LBPRGKRZSA-N 0 1 239.265 2.655 20 10 BFCDMN Oc1c(CN2CC[C@H]2C(F)F)ccc(F)c1F ZINC000895430784 583670345 /nfs/dbraw/zinc/67/03/45/583670345.db2.gz HNBSCNKCRDUIRR-QMMMGPOBSA-N 0 1 249.207 2.510 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839193071 585097647 /nfs/dbraw/zinc/09/76/47/585097647.db2.gz YEMFVUDWNQNLOO-ICCXJUOJSA-N 0 1 235.302 2.810 20 10 BFCDMN Cc1ccc([C@H](C)NCc2ccon2)c(O)c1C ZINC000756637037 585321779 /nfs/dbraw/zinc/32/17/79/585321779.db2.gz LERCIFNYMLCPKB-NSHDSACASA-N 0 1 246.310 2.848 20 10 BFCDMN COc1cccc(O)c1C[N@@H+](C)C1CCCC1 ZINC000768215099 585534055 /nfs/dbraw/zinc/53/40/55/585534055.db2.gz ZBKOKNXARNBUHB-UHFFFAOYSA-N 0 1 235.327 2.775 20 10 BFCDMN CCC[N@@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768292291 585535439 /nfs/dbraw/zinc/53/54/39/585535439.db2.gz YRRJUXLGGFCABU-UHFFFAOYSA-N 0 1 235.327 2.775 20 10 BFCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC=CCC1 ZINC000778577831 585737769 /nfs/dbraw/zinc/73/77/69/585737769.db2.gz YZWBSARMXGPYMB-UHFFFAOYSA-N 0 1 240.306 2.702 20 10 BFCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC=CCC1 ZINC000778577831 585737770 /nfs/dbraw/zinc/73/77/70/585737770.db2.gz YZWBSARMXGPYMB-UHFFFAOYSA-N 0 1 240.306 2.702 20 10 BFCDMN C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1F ZINC000779151253 585745684 /nfs/dbraw/zinc/74/56/84/585745684.db2.gz WCOKPFWKJOUDKG-JOYOIKCWSA-N 0 1 241.281 2.711 20 10 BFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCCCC1 ZINC000799387140 586174332 /nfs/dbraw/zinc/17/43/32/586174332.db2.gz BIGSIFSOIZSYOF-UHFFFAOYSA-N 0 1 242.322 2.926 20 10 BFCDMN CCOCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816561762 586740467 /nfs/dbraw/zinc/74/04/67/586740467.db2.gz KXCDFLWGACGUPH-UHFFFAOYSA-N 0 1 245.322 2.672 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c([O-])cccc1Cl ZINC000816647071 586749281 /nfs/dbraw/zinc/74/92/81/586749281.db2.gz NDMKCHJIBPVLNC-DTWKUNHWSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1c([O-])cccc1Cl ZINC000816647071 586749284 /nfs/dbraw/zinc/74/92/84/586749284.db2.gz NDMKCHJIBPVLNC-DTWKUNHWSA-N 0 1 225.719 2.886 20 10 BFCDMN Cc1cc(CN2CC[C@H](F)C2)ccc1N(C)C ZINC000830480135 587554039 /nfs/dbraw/zinc/55/40/39/587554039.db2.gz MLPWCJURLRFALO-ZDUSSCGKSA-N 0 1 236.334 2.605 20 10 BFCDMN CCc1ncc(CN[C@@H](C)c2ccccc2O)o1 ZINC000834898315 587769762 /nfs/dbraw/zinc/76/97/62/587769762.db2.gz CCPJADYYWPNFAW-JTQLQIEISA-N 0 1 246.310 2.793 20 10 BFCDMN CC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840910316 587929640 /nfs/dbraw/zinc/92/96/40/587929640.db2.gz QNATYKHOIAPDIV-UHFFFAOYSA-N 0 1 213.708 2.806 20 10 BFCDMN CC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840910316 587929641 /nfs/dbraw/zinc/92/96/41/587929641.db2.gz QNATYKHOIAPDIV-UHFFFAOYSA-N 0 1 213.708 2.806 20 10 BFCDMN Cc1cc([O-])c(C[N@@H+](C)C2CC2)c(Cl)c1 ZINC000840910501 587929767 /nfs/dbraw/zinc/92/97/67/587929767.db2.gz OKHRHCOIQIAJGZ-UHFFFAOYSA-N 0 1 225.719 2.948 20 10 BFCDMN Cc1cc([O-])c(C[N@H+](C)C2CC2)c(Cl)c1 ZINC000840910501 587929769 /nfs/dbraw/zinc/92/97/69/587929769.db2.gz OKHRHCOIQIAJGZ-UHFFFAOYSA-N 0 1 225.719 2.948 20 10 BFCDMN CO[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753092 587974302 /nfs/dbraw/zinc/97/43/02/587974302.db2.gz SAOOTNVKKDTHFY-RKDXNWHRSA-N 0 1 243.734 2.731 20 10 BFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000846122756 588258230 /nfs/dbraw/zinc/25/82/30/588258230.db2.gz OETSFMIKSYMTLR-CYBMUJFWSA-N 0 1 236.334 2.687 20 10 BFCDMN CN(C)c1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC000846122756 588258231 /nfs/dbraw/zinc/25/82/31/588258231.db2.gz OETSFMIKSYMTLR-CYBMUJFWSA-N 0 1 236.334 2.687 20 10 BFCDMN CC(C)(F)C[NH2+]Cc1c([O-])cccc1Cl ZINC000865653993 589454595 /nfs/dbraw/zinc/45/45/95/589454595.db2.gz KDFYPDRMCIJCIQ-UHFFFAOYSA-N 0 1 231.698 2.883 20 10 BFCDMN Cc1ccc(C[N@H+](C)[C@H](C)C2CC2)c(O)c1 ZINC000876589306 590216727 /nfs/dbraw/zinc/21/67/27/590216727.db2.gz JRLIAXVKQQSWGT-LLVKDONJSA-N 0 1 219.328 2.931 20 10 BFCDMN CC1(C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876743235 590235868 /nfs/dbraw/zinc/23/58/68/590235868.db2.gz CRRHZWRALBUYSX-UHFFFAOYSA-N 0 1 227.254 2.655 20 10 BFCDMN Cc1cccc(O)c1C[N@H+]1CCCSCC1 ZINC000877170431 590296081 /nfs/dbraw/zinc/29/60/81/590296081.db2.gz NTYGRHJOJLIENC-UHFFFAOYSA-N 0 1 237.368 2.640 20 10 BFCDMN CCc1ncc(CNCc2ccc(C)cc2O)o1 ZINC000877571910 590363123 /nfs/dbraw/zinc/36/31/23/590363123.db2.gz BIIBMTIFHMWVMW-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN COCCCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877594034 590369226 /nfs/dbraw/zinc/36/92/26/590369226.db2.gz NEHBTBNXBNKAHI-UHFFFAOYSA-N 0 1 237.343 2.559 20 10 BFCDMN CC1(C)CN(Cc2cc(Cl)ccc2O)C1 ZINC000877718005 590399649 /nfs/dbraw/zinc/39/96/49/590399649.db2.gz VJNGOFJUOXETMP-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN CC1(C)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877718005 590399650 /nfs/dbraw/zinc/39/96/50/590399650.db2.gz VJNGOFJUOXETMP-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN COC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000133025632 591756854 /nfs/dbraw/zinc/75/68/54/591756854.db2.gz MWKOERBXNYSZMV-UHFFFAOYSA-N 0 1 243.734 2.560 20 10 BFCDMN COCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000066995940 635402484 /nfs/dbraw/zinc/40/24/84/635402484.db2.gz YBDAZYJJKUOIHV-UHFFFAOYSA-N 0 1 243.734 2.560 20 10 BFCDMN COc1cccc(O)c1CNCc1ccoc1C ZINC000725848819 632863067 /nfs/dbraw/zinc/86/30/67/632863067.db2.gz KCYIBQMRCZIWOK-UHFFFAOYSA-N 0 1 247.294 2.592 20 10 BFCDMN CC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164358350 640471481 /nfs/dbraw/zinc/47/14/81/640471481.db2.gz CJMMYGUVSDWHQD-CQSZACIVSA-N 0 1 249.354 2.620 20 10 BFCDMN CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045116053 640503456 /nfs/dbraw/zinc/50/34/56/640503456.db2.gz RPCYYOQTVPVYAS-NSHDSACASA-N 0 1 225.719 2.934 20 10 BFCDMN Cc1cnc(CNCc2cc(C)ccc2O)s1 ZINC000230687306 641087604 /nfs/dbraw/zinc/08/76/04/641087604.db2.gz BDQFNCRGWNDODE-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN CSCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000068997556 643437243 /nfs/dbraw/zinc/43/72/43/643437243.db2.gz QEKXHGNGYHMVKD-UHFFFAOYSA-N 0 1 245.775 2.888 20 10 BFCDMN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000304639582 644924093 /nfs/dbraw/zinc/92/40/93/644924093.db2.gz RZIXPSSGMUHWFW-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000304639582 644924096 /nfs/dbraw/zinc/92/40/96/644924096.db2.gz RZIXPSSGMUHWFW-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CCC1 ZINC000037179894 712550596 /nfs/dbraw/zinc/55/05/96/712550596.db2.gz QIMMPEIARJVSGO-UHFFFAOYSA-N 0 1 225.719 2.935 20 10 BFCDMN Cc1nc(C)c(CNCc2cc(C)ccc2O)o1 ZINC000385474069 711013269 /nfs/dbraw/zinc/01/32/69/711013269.db2.gz AUPGTFHZYKHTAL-UHFFFAOYSA-N 0 1 246.310 2.595 20 10 BFCDMN Cc1ncc(CN[C@H](C)c2ccc(C)cc2O)o1 ZINC000397918296 711396352 /nfs/dbraw/zinc/39/63/52/711396352.db2.gz LWKOATWZGULDAD-SNVBAGLBSA-N 0 1 246.310 2.848 20 10 BFCDMN C[C@H](NCc1ccno1)c1ccc(N(C)C)cc1 ZINC000229595961 711838544 /nfs/dbraw/zinc/83/85/44/711838544.db2.gz ZZTZEYFCNBOPLW-NSHDSACASA-N 0 1 245.326 2.591 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000703444918 712076069 /nfs/dbraw/zinc/07/60/69/712076069.db2.gz AGFVLEXIWGNVOG-IUCAKERBSA-N 0 1 241.281 2.901 20 10 BFCDMN CC1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703484348 712076863 /nfs/dbraw/zinc/07/68/63/712076863.db2.gz XRALLUJDECNRIM-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703483444 712076869 /nfs/dbraw/zinc/07/68/69/712076869.db2.gz RBTVFWADDCHXQX-BDAKNGLRSA-N 0 1 241.281 2.901 20 10 BFCDMN Cc1conc1CN[C@@H](C)c1ccccc1O ZINC000708244561 712184976 /nfs/dbraw/zinc/18/49/76/712184976.db2.gz IUQFCFMZUMQPLU-JTQLQIEISA-N 0 1 232.283 2.539 20 10 BFCDMN Oc1c(F)cc(F)cc1CN1CCC(F)(F)C1 ZINC000708423151 712193656 /nfs/dbraw/zinc/19/36/56/712193656.db2.gz PPQOZLQOTIWYIR-UHFFFAOYSA-N 0 1 249.207 2.511 20 10 BFCDMN CCc1cccc(CN2CCOC[C@H]2CC)c1O ZINC000709306552 712219257 /nfs/dbraw/zinc/21/92/57/712219257.db2.gz KQASCLHGDTYJCK-CQSZACIVSA-N 0 1 249.354 2.565 20 10 BFCDMN CC[NH+](CC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232266538 977986140 /nfs/dbraw/zinc/98/61/40/977986140.db2.gz WCNZRWPCPGNYSV-UHFFFAOYSA-N 0 1 243.734 2.896 20 10 BFCDMN CN(CCC(F)(F)F)Cc1ccc(N)cc1 ZINC000070914113 978933795 /nfs/dbraw/zinc/93/37/95/978933795.db2.gz WFRCPEKLWMLCIP-UHFFFAOYSA-N 0 1 232.249 2.653 20 10 BFCDMN COc1ccc(C[N@@H+](C)C2CC2)c([O-])c1Cl ZINC001236801168 979741004 /nfs/dbraw/zinc/74/10/04/979741004.db2.gz GQFVWTXTYFOHOO-UHFFFAOYSA-N 0 1 241.718 2.648 20 10 BFCDMN C[N@H+](Cc1c([O-])cc(F)cc1F)CC1CCC1 ZINC001140583453 959009071 /nfs/dbraw/zinc/00/90/71/959009071.db2.gz HNDDGKFHANWHKH-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585762 960444772 /nfs/dbraw/zinc/44/47/72/960444772.db2.gz TZTVTLMISAXTMA-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN Cc1ccc(CN2CCc3occc3C2)c(O)c1 ZINC001140957986 960759408 /nfs/dbraw/zinc/75/94/08/960759408.db2.gz OYMOIFMRTMPTGS-UHFFFAOYSA-N 0 1 243.306 2.852 20 10 BFCDMN CC(C)C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142501837 961457910 /nfs/dbraw/zinc/45/79/10/961457910.db2.gz BTENUQGQTPPYCO-UHFFFAOYSA-N 0 1 229.270 2.758 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530815 961477801 /nfs/dbraw/zinc/47/78/01/961477801.db2.gz MCZUEOZLISEEAI-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN COCC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203555879 966687450 /nfs/dbraw/zinc/68/74/50/966687450.db2.gz IIMDIRAHVQZVFA-AWEZNQCLSA-N 0 1 249.354 2.783 20 10 BFCDMN CCc1cccc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000692115515 966764328 /nfs/dbraw/zinc/76/43/28/966764328.db2.gz NJFPTQSGJRBGED-NWDGAFQWSA-N 0 1 249.354 2.564 20 10 BFCDMN CCc1cccc(O)c1Nc1ccncc1 ZINC001173885318 975980916 /nfs/dbraw/zinc/98/09/16/975980916.db2.gz SYGBFKZQWVRYDH-UHFFFAOYSA-N 0 1 214.268 2.515 20 10 BFCDMN CC(C)C[C@@H]1COCCN1Cc1ccc(N)cc1 ZINC001334753899 976618033 /nfs/dbraw/zinc/61/80/33/976618033.db2.gz HNNBGGCISDJMFL-OAHLLOKOSA-N 0 1 248.370 2.516 20 10 BFCDMN Cc1cccc(CN(C)Cc2cncs2)c1O ZINC001231594293 977644070 /nfs/dbraw/zinc/64/40/70/977644070.db2.gz DIIVTLXWQDRKOE-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN Cc1cc(C)c(CN2CCCC(=O)CC2)c(O)c1 ZINC001231843940 977762098 /nfs/dbraw/zinc/76/20/98/977762098.db2.gz HMYWZGGIRKRXPY-UHFFFAOYSA-N 0 1 247.338 2.564 20 10 BFCDMN CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231877909 977774538 /nfs/dbraw/zinc/77/45/38/977774538.db2.gz ANAPNLOQSOTCER-UHFFFAOYSA-N 0 1 215.296 2.997 20 10 BFCDMN CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC001231877909 977774551 /nfs/dbraw/zinc/77/45/51/977774551.db2.gz ANAPNLOQSOTCER-UHFFFAOYSA-N 0 1 215.296 2.997 20 10 BFCDMN Cc1cc(O)c(CN2CCC2)cc1Cl ZINC001231869511 977779944 /nfs/dbraw/zinc/77/99/44/977779944.db2.gz UYWBNOONVPKYTO-UHFFFAOYSA-N 0 1 211.692 2.560 20 10 BFCDMN CCN(Cc1ccns1)Cc1ccccc1O ZINC001232192749 977916968 /nfs/dbraw/zinc/91/69/68/977916968.db2.gz ZQKDKBIOSMYWOA-UHFFFAOYSA-N 0 1 248.351 2.871 20 10 BFCDMN COc1cc(O)c(CN2CC[C@@H]2C)cc1Cl ZINC001232266403 977985768 /nfs/dbraw/zinc/98/57/68/977985768.db2.gz NPSZACHENKBPBX-QMMMGPOBSA-N 0 1 241.718 2.648 20 10 BFCDMN CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236806019 979737849 /nfs/dbraw/zinc/73/78/49/979737849.db2.gz LCTNWJLUFQAKJN-UHFFFAOYSA-N 0 1 229.707 2.506 20 10 BFCDMN CN(CCF)Cc1cc2ccccc2cc1O ZINC001236835129 979751767 /nfs/dbraw/zinc/75/17/67/979751767.db2.gz JDPOHBPXEWALKV-UHFFFAOYSA-N 0 1 233.286 2.947 20 10 BFCDMN COC1(C)CN(Cc2ccc(C(C)C)cc2O)C1 ZINC001237045404 979807355 /nfs/dbraw/zinc/80/73/55/979807355.db2.gz KGGRIYVRGOMKMG-UHFFFAOYSA-N 0 1 249.354 2.736 20 10 BFCDMN CC[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940025 980114094 /nfs/dbraw/zinc/11/40/94/980114094.db2.gz AGJWTRBVCTZVHL-UHFFFAOYSA-N 0 1 217.671 2.636 20 10 BFCDMN CCc1nc([C@H](C)Sc2nccs2)n[nH]1 ZINC001350109345 981873351 /nfs/dbraw/zinc/87/33/51/981873351.db2.gz XXEYYGBPQGYOCK-LURJTMIESA-N 0 1 240.357 2.677 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC12CC2 ZINC001139683423 987399669 /nfs/dbraw/zinc/39/96/69/987399669.db2.gz CXAPVRUYIVWOBQ-UHFFFAOYSA-N 0 1 239.265 2.799 20 10 BFCDMN CC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001474330995 987691388 /nfs/dbraw/zinc/69/13/88/987691388.db2.gz MCZUEOZLISEEAI-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]C2(C)CC2)cc1Cl ZINC001118576038 988456064 /nfs/dbraw/zinc/45/60/64/988456064.db2.gz SIQLWUPYBQTTKT-UHFFFAOYSA-N 0 1 225.719 2.996 20 10 BFCDMN CCC[N@@H+](CC)Cc1c([O-])cccc1F ZINC001137831666 990853443 /nfs/dbraw/zinc/85/34/43/990853443.db2.gz JGYRFPQQHVGUHJ-UHFFFAOYSA-N 0 1 211.280 2.763 20 10 BFCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837660 990855913 /nfs/dbraw/zinc/85/59/13/990855913.db2.gz QASZLIYRGDHWLK-SNVBAGLBSA-N 0 1 223.291 2.906 20 10 BFCDMN C[N@@H+](Cc1c([O-])cccc1F)C(C)(C)C ZINC001137837566 990856626 /nfs/dbraw/zinc/85/66/26/990856626.db2.gz MBOZCCLXFUUDEU-UHFFFAOYSA-N 0 1 211.280 2.762 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H](F)CC1 ZINC001137831852 990858080 /nfs/dbraw/zinc/85/80/80/990858080.db2.gz PYMWREFVWHOHJD-JTQLQIEISA-N 0 1 241.281 2.855 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001138122568 990885026 /nfs/dbraw/zinc/88/50/26/990885026.db2.gz NKXKWPHVEQRFDI-LLVKDONJSA-N 0 1 241.281 2.855 20 10 BFCDMN CC[C@@H](C)[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139681769 991309912 /nfs/dbraw/zinc/30/99/12/991309912.db2.gz WWGINVYXDHDVDY-MRVPVSSYSA-N 0 1 229.270 2.901 20 10 BFCDMN CN(Cc1cccc(F)n1)Cc1ccccc1O ZINC001140134045 991535558 /nfs/dbraw/zinc/53/55/58/991535558.db2.gz BBGZGTPGXMKRHM-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN Cc1ccc(C)c(CN2CCC(=O)C[C@H]2C)c1O ZINC001140178469 991549521 /nfs/dbraw/zinc/54/95/21/991549521.db2.gz MHAHEDFHKKUEAR-GFCCVEGCSA-N 0 1 247.338 2.562 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC001560942668 991663293 /nfs/dbraw/zinc/66/32/93/991663293.db2.gz SLBBNKMRUKOUER-ONGXEEELSA-N 0 1 237.730 2.887 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC001560942668 991663299 /nfs/dbraw/zinc/66/32/99/991663299.db2.gz SLBBNKMRUKOUER-ONGXEEELSA-N 0 1 237.730 2.887 20 10 BFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCCO2)cc1C ZINC000151703089 178194549 /nfs/dbraw/zinc/19/45/49/178194549.db2.gz CQJMFQKRTLKHDM-CQSZACIVSA-N 0 1 249.354 2.620 20 10 BFCDMN Cc1cc(O)c(C[N@H+](C)C2CCC2)cc1C ZINC000172963616 178195408 /nfs/dbraw/zinc/19/54/08/178195408.db2.gz APFVOHQPMWNAHL-UHFFFAOYSA-N 0 1 219.328 2.993 20 10 BFCDMN C[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000035603356 343299799 /nfs/dbraw/zinc/29/97/99/343299799.db2.gz UANAHFYVSDDWSG-QWRGUYRKSA-N 0 1 245.322 2.577 20 10 BFCDMN CC(C)(NCc1ccccc1O)c1nccs1 ZINC000116380885 187294765 /nfs/dbraw/zinc/29/47/65/187294765.db2.gz CFUNEAOBKHLJJO-UHFFFAOYSA-N 0 1 248.351 2.874 20 10 BFCDMN CCN(CC)c1ccc(C[N@@H+](C)CCF)cc1 ZINC000268333367 188023337 /nfs/dbraw/zinc/02/33/37/188023337.db2.gz XUJDOUDNSKSERG-UHFFFAOYSA-N 0 1 238.350 2.934 20 10 BFCDMN CCN(CC)c1ccc(CN(C)CCF)cc1 ZINC000268333367 188023338 /nfs/dbraw/zinc/02/33/38/188023338.db2.gz XUJDOUDNSKSERG-UHFFFAOYSA-N 0 1 238.350 2.934 20 10 BFCDMN c1coc(CNCc2ccc3c(c2)CCO3)c1 ZINC000037362275 188287119 /nfs/dbraw/zinc/28/71/19/188287119.db2.gz DQOPXRWLZSLOJG-UHFFFAOYSA-N 0 1 229.279 2.504 20 10 BFCDMN Cc1cc(O)c(C[N@@H+]2CCOCC[C@H]2C)cc1C ZINC000091589925 360120969 /nfs/dbraw/zinc/12/09/69/360120969.db2.gz ZWBDSXKZRGEAQI-CYBMUJFWSA-N 0 1 249.354 2.620 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000367956305 183255620 /nfs/dbraw/zinc/25/56/20/183255620.db2.gz MLQYQVGCVUYWDZ-ZWNOBZJWSA-N 0 1 235.302 2.906 20 10 BFCDMN CCCN(Cc1cc[nH]n1)Cc1ccccc1O ZINC000092705073 169175921 /nfs/dbraw/zinc/17/59/21/169175921.db2.gz PMHVZIMQDMNOKR-UHFFFAOYSA-N 0 1 245.326 2.528 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC1 ZINC000083552514 183293071 /nfs/dbraw/zinc/29/30/71/183293071.db2.gz FAJQZKNBNRGFNV-UHFFFAOYSA-N 0 1 211.692 2.688 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCCC1 ZINC000096543750 183293369 /nfs/dbraw/zinc/29/33/69/183293369.db2.gz KKZVYHVSVWBSGM-UHFFFAOYSA-N 0 1 211.692 2.641 20 10 BFCDMN CC[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000159460520 384334944 /nfs/dbraw/zinc/33/49/44/384334944.db2.gz LSFCSRRIUJUZNX-JTQLQIEISA-N 0 1 223.291 2.763 20 10 BFCDMN CC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000097989739 384582681 /nfs/dbraw/zinc/58/26/81/384582681.db2.gz ABEYLJGDLHXGNO-UHFFFAOYSA-N 0 1 244.132 2.606 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000097989739 384582686 /nfs/dbraw/zinc/58/26/86/384582686.db2.gz ABEYLJGDLHXGNO-UHFFFAOYSA-N 0 1 244.132 2.606 20 10 BFCDMN COC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162814646 384693768 /nfs/dbraw/zinc/69/37/68/384693768.db2.gz PVCYZYUSASWJJT-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN Cc1ccc(O)c(C[N@H+]2CCS[C@H](C)C2)c1 ZINC000131404263 385330596 /nfs/dbraw/zinc/33/05/96/385330596.db2.gz HBHHCDIRTNVBLK-LLVKDONJSA-N 0 1 237.368 2.638 20 10 BFCDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000289765748 385393379 /nfs/dbraw/zinc/39/33/79/385393379.db2.gz JIIJZVCRTNXZDO-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN CCOc1ccc(O)c(CNCc2ccco2)c1 ZINC000237054823 386346940 /nfs/dbraw/zinc/34/69/40/386346940.db2.gz NACQJMWQGUPYQF-UHFFFAOYSA-N 0 1 247.294 2.674 20 10 BFCDMN CC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586448 388724437 /nfs/dbraw/zinc/72/44/37/388724437.db2.gz GFCDEHJRZXSJCZ-UHFFFAOYSA-N 0 1 211.280 2.667 20 10 BFCDMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607837 176131712 /nfs/dbraw/zinc/13/17/12/176131712.db2.gz MQTHBUXELQIUTR-SKDRFNHKSA-N 0 1 223.291 2.810 20 10 BFCDMN C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165409520 177077211 /nfs/dbraw/zinc/07/72/11/177077211.db2.gz QMAQVKACOZPRGK-JTQLQIEISA-N 0 1 223.291 2.906 20 10 BFCDMN COc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000891713430 582712106 /nfs/dbraw/zinc/71/21/06/582712106.db2.gz DKFLYPMTUJGQDX-UHFFFAOYSA-N 0 1 247.294 2.626 20 10 BFCDMN COc1ccc(N(C)Cc2n[nH]c(C)c2C)cc1 ZINC000895129381 583600898 /nfs/dbraw/zinc/60/08/98/583600898.db2.gz VZXAISPIEPNUAU-UHFFFAOYSA-N 0 1 245.326 2.672 20 10 BFCDMN Cc1cccc(CN2CCn3cccc3C2)c1O ZINC000896761208 583831299 /nfs/dbraw/zinc/83/12/99/583831299.db2.gz QFTKQYOTZUNVAZ-UHFFFAOYSA-N 0 1 242.322 2.518 20 10 BFCDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1ccn(C)n1 ZINC000840815496 585068231 /nfs/dbraw/zinc/06/82/31/585068231.db2.gz FNPSEOVAFFBZJZ-WDEREUQCSA-N 0 1 245.326 2.538 20 10 BFCDMN C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751925675 585239074 /nfs/dbraw/zinc/23/90/74/585239074.db2.gz PRALPGGVPMBZOO-NSHDSACASA-N 0 1 242.322 2.925 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751925675 585239075 /nfs/dbraw/zinc/23/90/75/585239075.db2.gz PRALPGGVPMBZOO-NSHDSACASA-N 0 1 242.322 2.925 20 10 BFCDMN C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751925664 585239152 /nfs/dbraw/zinc/23/91/52/585239152.db2.gz PRALPGGVPMBZOO-LLVKDONJSA-N 0 1 242.322 2.925 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751925664 585239153 /nfs/dbraw/zinc/23/91/53/585239153.db2.gz PRALPGGVPMBZOO-LLVKDONJSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[C@H]1CCC[N@H+]1Cc1c(O)cccc1OC ZINC000769011626 585547574 /nfs/dbraw/zinc/54/75/74/585547574.db2.gz YYYKJFDCZHAAER-NSHDSACASA-N 0 1 235.327 2.775 20 10 BFCDMN CN(C)c1ccc(CN(C)Cc2ccoc2)cc1 ZINC000771935195 585605031 /nfs/dbraw/zinc/60/50/31/585605031.db2.gz NYXSFPJNRLJDQX-UHFFFAOYSA-N 0 1 244.338 2.978 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(C2CC2)C1 ZINC000812776572 586584120 /nfs/dbraw/zinc/58/41/20/586584120.db2.gz VVCCEHAIORRPKH-UHFFFAOYSA-N 0 1 237.730 2.887 20 10 BFCDMN COc1cccc(O)c1CNCc1occc1C ZINC000813791082 586606457 /nfs/dbraw/zinc/60/64/57/586606457.db2.gz ROYQRMGJLUUMRS-UHFFFAOYSA-N 0 1 247.294 2.592 20 10 BFCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816487083 586735681 /nfs/dbraw/zinc/73/56/81/586735681.db2.gz COQYVMFLYYXELM-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN Cc1cc(N(C)C)ccc1CN1CC[C@H](F)C1 ZINC000840950787 587931701 /nfs/dbraw/zinc/93/17/01/587931701.db2.gz NQXIWDKGVRUCLK-ZDUSSCGKSA-N 0 1 236.334 2.605 20 10 BFCDMN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753087 587973898 /nfs/dbraw/zinc/97/38/98/587973898.db2.gz SAOOTNVKKDTHFY-BDAKNGLRSA-N 0 1 243.734 2.731 20 10 BFCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846122757 588258177 /nfs/dbraw/zinc/25/81/77/588258177.db2.gz OETSFMIKSYMTLR-ZDUSSCGKSA-N 0 1 236.334 2.687 20 10 BFCDMN CN(C)c1ccc(CN2CCC[C@H](F)C2)cc1 ZINC000846122757 588258178 /nfs/dbraw/zinc/25/81/78/588258178.db2.gz OETSFMIKSYMTLR-ZDUSSCGKSA-N 0 1 236.334 2.687 20 10 BFCDMN CCOC1(C)CN(Cc2cccc(CC)c2O)C1 ZINC000848916780 588421038 /nfs/dbraw/zinc/42/10/38/588421038.db2.gz MOORMIMBHJYTCG-UHFFFAOYSA-N 0 1 249.354 2.565 20 10 BFCDMN CN(C)c1cc(F)c(CN(C)C2CC2)cc1F ZINC000862220954 589195104 /nfs/dbraw/zinc/19/51/04/589195104.db2.gz SEBAKVFEGQHYKK-UHFFFAOYSA-N 0 1 240.297 2.625 20 10 BFCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000862444146 589213923 /nfs/dbraw/zinc/21/39/23/589213923.db2.gz YODVRYGCXGXLGI-AOOOYVTPSA-N 0 1 237.730 2.806 20 10 BFCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000862444146 589213924 /nfs/dbraw/zinc/21/39/24/589213924.db2.gz YODVRYGCXGXLGI-AOOOYVTPSA-N 0 1 237.730 2.806 20 10 BFCDMN CC(C)(F)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000865654817 589454757 /nfs/dbraw/zinc/45/47/57/589454757.db2.gz WBDHEVGUUZDLTH-UHFFFAOYSA-N 0 1 231.698 2.883 20 10 BFCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC000876622875 590222869 /nfs/dbraw/zinc/22/28/69/590222869.db2.gz PDPMVWKNGNAIDB-UHFFFAOYSA-N 0 1 227.254 2.512 20 10 BFCDMN Cc1cccc(O)c1C[N@@H+]1CC[C@H]1C(C)C ZINC000876878947 590252334 /nfs/dbraw/zinc/25/23/34/590252334.db2.gz LCKAWHPRUUZMPE-ZDUSSCGKSA-N 0 1 219.328 2.931 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC000877565847 590360390 /nfs/dbraw/zinc/36/03/90/590360390.db2.gz RZCODHYVKLFCET-IUODEOHRSA-N 0 1 249.354 2.557 20 10 BFCDMN CCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132574592 591720812 /nfs/dbraw/zinc/72/08/12/591720812.db2.gz XMUHOIAZIOEAFR-UHFFFAOYSA-N 0 1 213.708 2.887 20 10 BFCDMN CCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132574592 591720813 /nfs/dbraw/zinc/72/08/13/591720813.db2.gz XMUHOIAZIOEAFR-UHFFFAOYSA-N 0 1 213.708 2.887 20 10 BFCDMN CCc1nc(CNCc2ccccc2O)cs1 ZINC000134235539 591904206 /nfs/dbraw/zinc/90/42/06/591904206.db2.gz OTDGRIAKDZJROR-UHFFFAOYSA-N 0 1 248.351 2.701 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCCF ZINC000309104328 631879316 /nfs/dbraw/zinc/87/93/16/631879316.db2.gz HERVRYLOKJXFEV-UHFFFAOYSA-N 0 1 231.698 2.885 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309528767 633189327 /nfs/dbraw/zinc/18/93/27/633189327.db2.gz VKEUWWBYGDGJEV-WOFXILAISA-N 0 1 237.730 2.934 20 10 BFCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000163164732 636079831 /nfs/dbraw/zinc/07/98/31/636079831.db2.gz OIZYMBBMDCWDNS-ZJUUUORDSA-N 0 1 223.291 2.762 20 10 BFCDMN Cc1ccc(O)c(CN(C)Cc2ccns2)c1 ZINC000895453256 636145491 /nfs/dbraw/zinc/14/54/91/636145491.db2.gz HIMHYVXSQFFPAL-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN COc1ccc(CNCc2ccccn2)cc1C ZINC000035052411 636519779 /nfs/dbraw/zinc/51/97/79/636519779.db2.gz DWESSLSMBAVQPL-UHFFFAOYSA-N 0 1 242.322 2.688 20 10 BFCDMN CN(C)c1ccc(CN(C)Cc2ccco2)cc1 ZINC000128493510 637079602 /nfs/dbraw/zinc/07/96/02/637079602.db2.gz KAUBVFLNFPGAKB-UHFFFAOYSA-N 0 1 244.338 2.978 20 10 BFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000919941900 642410373 /nfs/dbraw/zinc/41/03/73/642410373.db2.gz BFRIDZASQUMGLP-UHFFFAOYSA-N 0 1 242.322 2.782 20 10 BFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000919941900 642410378 /nfs/dbraw/zinc/41/03/78/642410378.db2.gz BFRIDZASQUMGLP-UHFFFAOYSA-N 0 1 242.322 2.782 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708400774 712193020 /nfs/dbraw/zinc/19/30/20/712193020.db2.gz PHWHUNQLRIGOAU-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN C/C=C/C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000385002708 711002607 /nfs/dbraw/zinc/00/26/07/711002607.db2.gz MECVFOVVQNMMMP-NSCUHMNNSA-N 0 1 211.692 2.711 20 10 BFCDMN Cc1ncc(CN[C@@H](C)c2cc(C)ccc2O)o1 ZINC000397898406 711395202 /nfs/dbraw/zinc/39/52/02/711395202.db2.gz ANLQCDCUROLGNN-JTQLQIEISA-N 0 1 246.310 2.848 20 10 BFCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703444905 712075862 /nfs/dbraw/zinc/07/58/62/712075862.db2.gz AGFVLEXIWGNVOG-DTWKUNHWSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447871 712076081 /nfs/dbraw/zinc/07/60/81/712076081.db2.gz MOBWFWVUUGTRCG-MRVPVSSYSA-N 0 1 227.254 2.655 20 10 BFCDMN Oc1c(F)cc(F)cc1CNC1(C(F)F)CC1 ZINC000708496049 712211738 /nfs/dbraw/zinc/21/17/38/712211738.db2.gz GZQBHJSYIRVHAP-UHFFFAOYSA-N 0 1 249.207 2.558 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]CC2CC2)c(Cl)c1 ZINC000840874522 961223570 /nfs/dbraw/zinc/22/35/70/961223570.db2.gz GIUYSBLQEHHYCW-UHFFFAOYSA-N 0 1 225.719 2.854 20 10 BFCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCC1 ZINC001180120010 978830425 /nfs/dbraw/zinc/83/04/25/978830425.db2.gz AKPTVUVLZPMTLC-UHFFFAOYSA-N 0 1 227.254 2.655 20 10 BFCDMN Cc1ccc(CN2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001140947992 960124504 /nfs/dbraw/zinc/12/45/04/960124504.db2.gz OODOAWIPNGUYFH-LBPRGKRZSA-N 0 1 247.338 2.502 20 10 BFCDMN Cc1ccc(CN2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001140950672 960755344 /nfs/dbraw/zinc/75/53/44/960755344.db2.gz BPHRMTPSSJHSQX-UHFFFAOYSA-N 0 1 247.338 2.502 20 10 BFCDMN C[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203651833 966719499 /nfs/dbraw/zinc/71/94/99/966719499.db2.gz XSXCWUSBRWUUQF-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203651833 966719508 /nfs/dbraw/zinc/71/95/08/966719508.db2.gz XSXCWUSBRWUUQF-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@]1(F)CCN(Cc2ccccc2O)C[C@H]1F ZINC001203550513 966683552 /nfs/dbraw/zinc/68/35/52/966683552.db2.gz WSCNSXLZKPTCLJ-OLZOCXBDSA-N 0 1 241.281 2.664 20 10 BFCDMN CCc1cccc(CN2CCO[C@@H](CC)C2)c1O ZINC000692116248 966764123 /nfs/dbraw/zinc/76/41/23/966764123.db2.gz RTVMTGYMPONNIR-AWEZNQCLSA-N 0 1 249.354 2.565 20 10 BFCDMN C[C@@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275792 966950395 /nfs/dbraw/zinc/95/03/95/966950395.db2.gz BLDUYUPYZRFIAB-LLVKDONJSA-N 0 1 235.327 2.720 20 10 BFCDMN C[C@@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275792 966950400 /nfs/dbraw/zinc/95/04/00/966950400.db2.gz BLDUYUPYZRFIAB-LLVKDONJSA-N 0 1 235.327 2.720 20 10 BFCDMN CN(c1ccc(N)cc1)c1ccc2cncn2c1 ZINC001250331809 967716874 /nfs/dbraw/zinc/71/68/74/967716874.db2.gz FJTFPFVSUOPTDM-UHFFFAOYSA-N 0 1 238.294 2.684 20 10 BFCDMN C[N@H+](Cc1c([O-])cccc1F)CC1CCC1 ZINC001137837508 967902492 /nfs/dbraw/zinc/90/24/92/967902492.db2.gz JPRRCAHDLXVLAZ-UHFFFAOYSA-N 0 1 223.291 2.763 20 10 BFCDMN C[N@H+](Cc1ccccc1[O-])CC1(C)CCOCC1 ZINC001208076599 968973365 /nfs/dbraw/zinc/97/33/65/968973365.db2.gz KWASTFZZBDLWJL-UHFFFAOYSA-N 0 1 249.354 2.641 20 10 BFCDMN C[N@@H+](Cc1ccccc1[O-])CC1(C)CCOCC1 ZINC001208076599 968973381 /nfs/dbraw/zinc/97/33/81/968973381.db2.gz KWASTFZZBDLWJL-UHFFFAOYSA-N 0 1 249.354 2.641 20 10 BFCDMN Cc1ccc(C)c(NCc2ccc(O)c(O)c2)n1 ZINC001169992770 969957936 /nfs/dbraw/zinc/95/79/36/969957936.db2.gz DZWXDHNYVAGCHX-UHFFFAOYSA-N 0 1 244.294 2.722 20 10 BFCDMN CN(c1ccc(N)cc1)c1ccc2nccn2c1 ZINC001174279459 976428902 /nfs/dbraw/zinc/42/89/02/976428902.db2.gz AKAJTNCRDMAXNQ-UHFFFAOYSA-N 0 1 238.294 2.684 20 10 BFCDMN Cc1c[nH+]ccc1Nc1c([O-])cc(F)cc1F ZINC001174537535 976819936 /nfs/dbraw/zinc/81/99/36/976819936.db2.gz JWSPSXVWASSHNK-UHFFFAOYSA-N 0 1 236.221 2.539 20 10 BFCDMN Cc1c[nH+]ccc1Nc1ccc(F)c(F)c1[O-] ZINC001174538736 976826256 /nfs/dbraw/zinc/82/62/56/976826256.db2.gz ODJIXXVCZAOMAM-UHFFFAOYSA-N 0 1 236.221 2.539 20 10 BFCDMN 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585068099 /nfs/dbraw/zinc/06/80/99/585068099.db2.gz FNPSEOVAFFBZJZ-GHMZBOCLSA-N 0 1 245.326 2.538 20 10 BFCDMN CN(Cc1ccc(F)cn1)Cc1ccccc1O ZINC000787263148 585903792 /nfs/dbraw/zinc/90/37/92/585903792.db2.gz CXFYHSRNRDATEN-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN Oc1ccccc1CNc1cc2c(cn1)CCC2 ZINC000815158798 586671020 /nfs/dbraw/zinc/67/10/20/586671020.db2.gz AVIXPFBVJXHICA-UHFFFAOYSA-N 0 1 240.306 2.888 20 10 BFCDMN Oc1ccc(Cl)c(F)c1CN1CC[C@H](F)C1 ZINC000824571950 587277109 /nfs/dbraw/zinc/27/71/09/587277109.db2.gz SNQCVDHWXDPWSS-ZETCQYMHSA-N 0 1 247.672 2.729 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000824815167 587288536 /nfs/dbraw/zinc/28/85/36/587288536.db2.gz JEUWKHOSZHLDQB-GXTWGEPZSA-N 0 1 249.354 2.557 20 10 BFCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCCC1 ZINC000834870427 587769011 /nfs/dbraw/zinc/76/90/11/587769011.db2.gz HPLKRIPOGSIILZ-UHFFFAOYSA-N 0 1 228.295 2.536 20 10 BFCDMN Cc1cc(O)c(CN2CC3(CC3)C2)c(Cl)c1 ZINC000840950456 587931852 /nfs/dbraw/zinc/93/18/52/587931852.db2.gz INFHYNFJKMMKEE-UHFFFAOYSA-N 0 1 237.730 2.950 20 10 BFCDMN CCc1cc(CNCc2ccc(C)cc2O)on1 ZINC000876875667 590252523 /nfs/dbraw/zinc/25/25/23/590252523.db2.gz ZWCPOLZQSWEHLH-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN Cc1nc(CNCc2c(C)cccc2O)cs1 ZINC000876913582 590256428 /nfs/dbraw/zinc/25/64/28/590256428.db2.gz JCLFDIRUPXZVDN-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN Cc1csc(CNCc2c(C)cccc2O)n1 ZINC000876918674 590257424 /nfs/dbraw/zinc/25/74/24/590257424.db2.gz LBNNQNBNBVNIQP-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN Cc1cccc(O)c1CN1CCC=C(F)C1 ZINC000877175106 590296645 /nfs/dbraw/zinc/29/66/45/590296645.db2.gz YYAFYJXILQUICI-UHFFFAOYSA-N 0 1 221.275 2.760 20 10 BFCDMN Cc1nc(CN[C@H](C)c2ccccc2O)[nH]c1C ZINC000877755983 590417794 /nfs/dbraw/zinc/41/77/94/590417794.db2.gz WKFACQUZLPZXLM-LLVKDONJSA-N 0 1 245.326 2.583 20 10 BFCDMN Cc1ccc(O)c(CN2CC(OC(C)(C)C)C2)c1 ZINC000877769870 590421071 /nfs/dbraw/zinc/42/10/71/590421071.db2.gz 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0 1 223.291 2.810 20 10 BFCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000224174088 640602291 /nfs/dbraw/zinc/60/22/91/640602291.db2.gz HHZVAEKEZRVFOH-UHFFFAOYSA-N 0 1 225.719 2.935 20 10 BFCDMN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000189117061 641790193 /nfs/dbraw/zinc/79/01/93/641790193.db2.gz VYWADPXDJBJXNT-DTWKUNHWSA-N 0 1 243.734 2.559 20 10 BFCDMN COCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000082367498 643304267 /nfs/dbraw/zinc/30/42/67/643304267.db2.gz JOADXHWIWUNFGJ-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN C[C@H](NCc1cscn1)c1ccccc1O ZINC000082625964 643355972 /nfs/dbraw/zinc/35/59/72/643355972.db2.gz AWXHOKVDDRWOCA-VIFPVBQESA-N 0 1 234.324 2.700 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000816647904 643553380 /nfs/dbraw/zinc/55/33/80/643553380.db2.gz AAYWSEGFEVRDQQ-DTWKUNHWSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000816647904 643553384 /nfs/dbraw/zinc/55/33/84/643553384.db2.gz AAYWSEGFEVRDQQ-DTWKUNHWSA-N 0 1 225.719 2.886 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1CC1 ZINC000083893987 643630385 /nfs/dbraw/zinc/63/03/85/643630385.db2.gz RIVUBOGVFDEGJY-UHFFFAOYSA-N 0 1 225.719 2.935 20 10 BFCDMN Oc1c(CN2CCC(F)(F)C2)ccc(F)c1F ZINC000703490665 712077165 /nfs/dbraw/zinc/07/71/65/712077165.db2.gz NECZZCNRLKATKE-UHFFFAOYSA-N 0 1 249.207 2.511 20 10 BFCDMN C[C@H](F)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000378752356 712358904 /nfs/dbraw/zinc/35/89/04/712358904.db2.gz PNVBOHUYAREIKE-QMMMGPOBSA-N 0 1 231.698 2.883 20 10 BFCDMN Cc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000053036736 711648562 /nfs/dbraw/zinc/64/85/62/711648562.db2.gz RMNZDMPQAVEXRB-UHFFFAOYSA-N 0 1 243.306 2.813 20 10 BFCDMN c1csc(SCCN2CCCCC2)n1 ZINC000125344463 711723496 /nfs/dbraw/zinc/72/34/96/711723496.db2.gz SLHNFQKOELMMCH-UHFFFAOYSA-N 0 1 228.386 2.721 20 10 BFCDMN c1cc(CNCc2ccc3c(c2)CCO3)co1 ZINC000132377630 711957899 /nfs/dbraw/zinc/95/78/99/711957899.db2.gz ZAKLHMIWJUFNGD-UHFFFAOYSA-N 0 1 229.279 2.504 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703447868 712076173 /nfs/dbraw/zinc/07/61/73/712076173.db2.gz MNABAKRCWRDQRK-MRVPVSSYSA-N 0 1 227.254 2.512 20 10 BFCDMN CCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708399232 712192864 /nfs/dbraw/zinc/19/28/64/712192864.db2.gz KDZYMRWYYDVQER-UHFFFAOYSA-N 0 1 215.243 2.512 20 10 BFCDMN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000379770587 712397728 /nfs/dbraw/zinc/39/77/28/712397728.db2.gz ACFXPYYWZIQDBG-KCJUWKMLSA-N 0 1 225.719 2.934 20 10 BFCDMN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000379770589 712398000 /nfs/dbraw/zinc/39/80/00/712398000.db2.gz ACFXPYYWZIQDBG-KWQFWETISA-N 0 1 225.719 2.934 20 10 BFCDMN C[N@H+](CCCF)Cc1c([O-])cccc1Cl ZINC000716630723 712567902 /nfs/dbraw/zinc/56/79/02/712567902.db2.gz UBFBIQSETNHAAW-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN C[N@@H+](CCCF)Cc1c([O-])cccc1Cl ZINC000716630723 712567903 /nfs/dbraw/zinc/56/79/03/712567903.db2.gz UBFBIQSETNHAAW-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142502014 961460848 /nfs/dbraw/zinc/46/08/48/961460848.db2.gz GOKNPPXTANKMPC-MRVPVSSYSA-N 0 1 227.254 2.655 20 10 BFCDMN CC1CC([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508602 961465664 /nfs/dbraw/zinc/46/56/64/961465664.db2.gz FBEVKAJOEJVMSI-UHFFFAOYSA-N 0 1 241.281 2.901 20 10 BFCDMN Oc1cc(F)cc(F)c1CN1CCC(F)(F)C1 ZINC001140579839 960441335 /nfs/dbraw/zinc/44/13/35/960441335.db2.gz IYOWTNOHYCFSDU-UHFFFAOYSA-N 0 1 249.207 2.511 20 10 BFCDMN CC[C@@H](NCc1cocn1)c1ccccc1O ZINC000397883188 960531646 /nfs/dbraw/zinc/53/16/46/960531646.db2.gz APXAFPSEGYZWLA-GFCCVEGCSA-N 0 1 232.283 2.621 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142502015 961457227 /nfs/dbraw/zinc/45/72/27/961457227.db2.gz GOKNPPXTANKMPC-QMMMGPOBSA-N 0 1 227.254 2.655 20 10 BFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001142531300 961481053 /nfs/dbraw/zinc/48/10/53/961481053.db2.gz SRSPYQXRNRBJAD-PELKAZGASA-N 0 1 239.265 2.655 20 10 BFCDMN Cc1cnc(NCc2ccc(O)c(O)c2)cc1C ZINC001158997874 963969439 /nfs/dbraw/zinc/96/94/39/963969439.db2.gz RTBVAHFHFIISMH-UHFFFAOYSA-N 0 1 244.294 2.722 20 10 BFCDMN Cc1ccc(NCc2ccc(O)c(O)c2)nc1C ZINC001158996101 963970484 /nfs/dbraw/zinc/97/04/84/963970484.db2.gz VLPXWWFDLHVPLE-UHFFFAOYSA-N 0 1 244.294 2.722 20 10 BFCDMN Cc1cnc(NCc2ccc(N)cc2)cc1C ZINC001162787840 965171156 /nfs/dbraw/zinc/17/11/56/965171156.db2.gz RWDSLPAILUPNGV-UHFFFAOYSA-N 0 1 227.311 2.893 20 10 BFCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCCC1 ZINC001237120955 966641788 /nfs/dbraw/zinc/64/17/88/966641788.db2.gz JIXDOGJLXHSMMP-UHFFFAOYSA-N 0 1 229.682 2.781 20 10 BFCDMN Oc1ccccc1CN1CCc2occc2C1 ZINC001203558322 966691019 /nfs/dbraw/zinc/69/10/19/966691019.db2.gz DOIJIEXUKBREFV-UHFFFAOYSA-N 0 1 229.279 2.544 20 10 BFCDMN Oc1ccc(Cl)cc1CN1CCC[C@@H]1CF ZINC001203665622 966733566 /nfs/dbraw/zinc/73/35/66/966733566.db2.gz PWGDZJDCMPJGBO-LLVKDONJSA-N 0 1 243.709 2.980 20 10 BFCDMN C[C@H]1CCCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204274729 966951816 /nfs/dbraw/zinc/95/18/16/966951816.db2.gz HQHCMUPYINQQLD-NSHDSACASA-N 0 1 235.327 2.862 20 10 BFCDMN C[C@H]1CCCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204274729 966951820 /nfs/dbraw/zinc/95/18/20/966951820.db2.gz HQHCMUPYINQQLD-NSHDSACASA-N 0 1 235.327 2.862 20 10 BFCDMN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1C ZINC001204276057 966953649 /nfs/dbraw/zinc/95/36/49/966953649.db2.gz FDLRQZUTVIWYKI-VXGBXAGGSA-N 0 1 249.354 2.966 20 10 BFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1C ZINC001204276057 966953659 /nfs/dbraw/zinc/95/36/59/966953659.db2.gz FDLRQZUTVIWYKI-VXGBXAGGSA-N 0 1 249.354 2.966 20 10 BFCDMN C[N@H+](Cc1ccc(O)cc1[O-])C1CCCCC1 ZINC001204272477 966954430 /nfs/dbraw/zinc/95/44/30/966954430.db2.gz OPMQPODXKWHOBJ-UHFFFAOYSA-N 0 1 235.327 2.862 20 10 BFCDMN C[N@@H+](Cc1ccc(O)cc1[O-])C1CCCCC1 ZINC001204272477 966954441 /nfs/dbraw/zinc/95/44/41/966954441.db2.gz OPMQPODXKWHOBJ-UHFFFAOYSA-N 0 1 235.327 2.862 20 10 BFCDMN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1C ZINC001204276054 966955198 /nfs/dbraw/zinc/95/51/98/966955198.db2.gz FDLRQZUTVIWYKI-NEPJUHHUSA-N 0 1 249.354 2.966 20 10 BFCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1C ZINC001204276054 966955208 /nfs/dbraw/zinc/95/52/08/966955208.db2.gz FDLRQZUTVIWYKI-NEPJUHHUSA-N 0 1 249.354 2.966 20 10 BFCDMN CC1(C)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837706 967902571 /nfs/dbraw/zinc/90/25/71/967902571.db2.gz RHLLOGNWZOOOBV-UHFFFAOYSA-N 0 1 223.291 2.763 20 10 BFCDMN Cc1ccnc(NCc2ccc(O)c(O)c2)c1C ZINC001169990844 969954527 /nfs/dbraw/zinc/95/45/27/969954527.db2.gz QZUHGCPXQBPWGZ-UHFFFAOYSA-N 0 1 244.294 2.722 20 10 BFCDMN Oc1cccc(Nc2cccc3[nH]ncc32)c1O ZINC001174344103 976571141 /nfs/dbraw/zinc/57/11/41/976571141.db2.gz MXJLKIMAGRCRPQ-UHFFFAOYSA-N 0 1 241.250 2.718 20 10 BFCDMN Cc1cccc(CN2CCC(=O)C(C)(C)C2)c1O ZINC001231592101 977641689 /nfs/dbraw/zinc/64/16/89/977641689.db2.gz BJOQZZJEBJOKDU-UHFFFAOYSA-N 0 1 247.338 2.502 20 10 BFCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]2C)cc1Cl ZINC001231867354 977779363 /nfs/dbraw/zinc/77/93/63/977779363.db2.gz IZOUGWRVFVFANE-VIFPVBQESA-N 0 1 225.719 2.948 20 10 BFCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]2C)cc1Cl ZINC001231867354 977779369 /nfs/dbraw/zinc/77/93/69/977779369.db2.gz IZOUGWRVFVFANE-VIFPVBQESA-N 0 1 225.719 2.948 20 10 BFCDMN COc1cc(O)c(CN2CC(C)C2)cc1Cl ZINC001232266083 977990178 /nfs/dbraw/zinc/99/01/78/977990178.db2.gz INRLHSFCMXHAMZ-UHFFFAOYSA-N 0 1 241.718 2.506 20 10 BFCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC1 ZINC001233451394 978607371 /nfs/dbraw/zinc/60/73/71/978607371.db2.gz IXPLCVGNFANZRV-UHFFFAOYSA-N 0 1 231.217 2.617 20 10 BFCDMN Cc1ccc(CNCc2ncccc2F)c(O)c1 ZINC001181428369 979082665 /nfs/dbraw/zinc/08/26/65/979082665.db2.gz WMXVVYAVKWITNN-UHFFFAOYSA-N 0 1 246.285 2.525 20 10 BFCDMN CC[NH+](CC)Cc1c([O-])cc(OC)cc1Cl ZINC001236802766 979738293 /nfs/dbraw/zinc/73/82/93/979738293.db2.gz JSSGQWGSEYYQKX-UHFFFAOYSA-N 0 1 243.734 2.896 20 10 BFCDMN CC(=O)CN(C)Cc1cc2ccccc2cc1O ZINC001236826488 979747617 /nfs/dbraw/zinc/74/76/17/979747617.db2.gz LFUPYRCDOSJGPH-UHFFFAOYSA-N 0 1 243.306 2.566 20 10 BFCDMN CC(C)c1ccc(CN2CCO[C@@H](C)C2)c(O)c1 ZINC001237046132 979809209 /nfs/dbraw/zinc/80/92/09/979809209.db2.gz QCULIBUWDSLZPW-LBPRGKRZSA-N 0 1 249.354 2.736 20 10 BFCDMN Cc1cccc(O)c1C[N@H+]1CCCC12CC2 ZINC001237481793 979913791 /nfs/dbraw/zinc/91/37/91/979913791.db2.gz IBVAIOYSEDMYJH-UHFFFAOYSA-N 0 1 217.312 2.829 20 10 BFCDMN Cc1cccc(O)c1CN1CCC(=O)C(C)(C)C1 ZINC001237488369 979918945 /nfs/dbraw/zinc/91/89/45/979918945.db2.gz VDPFROWXNQESCI-UHFFFAOYSA-N 0 1 247.338 2.502 20 10 BFCDMN CC1(F)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237616862 979977851 /nfs/dbraw/zinc/97/78/51/979977851.db2.gz IPUQWJYACGFQJH-UHFFFAOYSA-N 0 1 247.672 2.729 20 10 BFCDMN Cc1cc(F)cc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001238058281 980134489 /nfs/dbraw/zinc/13/44/89/980134489.db2.gz PQUIQOQSVRFRPR-BXKDBHETSA-N 0 1 241.281 2.772 20 10 BFCDMN Cc1cc(F)cc(CN2CCC[C@@H]2CF)c1O ZINC001238067522 980138072 /nfs/dbraw/zinc/13/80/72/980138072.db2.gz UKZBHGSCXOOEBF-GFCCVEGCSA-N 0 1 241.281 2.774 20 10 BFCDMN CC(C)c1ccc(O)c(CNCc2ccno2)c1 ZINC001462057909 986269564 /nfs/dbraw/zinc/26/95/64/986269564.db2.gz KRLCILBYYFAEDX-UHFFFAOYSA-N 0 1 246.310 2.793 20 10 BFCDMN C[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137831724 990856566 /nfs/dbraw/zinc/85/65/66/990856566.db2.gz LFPRWJQYXQWIDU-JTQLQIEISA-N 0 1 223.291 2.906 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685486 991313332 /nfs/dbraw/zinc/31/33/32/991313332.db2.gz LMMFERZSVWZYBE-QMMMGPOBSA-N 0 1 227.254 2.655 20 10 BFCDMN CC1CC([N@@H+](C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684602 991313485 /nfs/dbraw/zinc/31/34/85/991313485.db2.gz JTVLVLIJMKDBFF-UHFFFAOYSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463239 991643115 /nfs/dbraw/zinc/64/31/15/991643115.db2.gz XGLLGOMDBPJGKY-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463239 991643119 /nfs/dbraw/zinc/64/31/19/991643119.db2.gz XGLLGOMDBPJGKY-SECBINFHSA-N 0 1 225.719 2.887 20 10 BFCDMN Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1C ZINC000164338908 178195636 /nfs/dbraw/zinc/19/56/36/178195636.db2.gz VDCDGIJIUBZLSR-STQMWFEESA-N 0 1 249.354 2.618 20 10 BFCDMN C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000035603358 343299690 /nfs/dbraw/zinc/29/96/90/343299690.db2.gz UANAHFYVSDDWSG-MNOVXSKESA-N 0 1 245.322 2.577 20 10 BFCDMN Cc1ncc(CN(C)Cc2ccccc2O)s1 ZINC000109773804 180140288 /nfs/dbraw/zinc/14/02/88/180140288.db2.gz UXGNUYXQONIFDU-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000226617223 183275233 /nfs/dbraw/zinc/27/52/33/183275233.db2.gz XZOXHBXVNNYZMK-UHFFFAOYSA-N 0 1 235.302 2.811 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CC1 ZINC000083551777 183293119 /nfs/dbraw/zinc/29/31/19/183293119.db2.gz BBBBARIQCZJSSX-UHFFFAOYSA-N 0 1 211.692 2.545 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCSCC1 ZINC000126208177 183293204 /nfs/dbraw/zinc/29/32/04/183293204.db2.gz HNMGYNDGXLIHAL-UHFFFAOYSA-N 0 1 243.759 2.594 20 10 BFCDMN Oc1cccc(Cl)c1CN1CCSCC1 ZINC000126208177 183293206 /nfs/dbraw/zinc/29/32/06/183293206.db2.gz HNMGYNDGXLIHAL-UHFFFAOYSA-N 0 1 243.759 2.594 20 10 BFCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000083551530 384309977 /nfs/dbraw/zinc/30/99/77/384309977.db2.gz NXIYUGOXWUPPNK-QMMMGPOBSA-N 0 1 225.719 2.934 20 10 BFCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1CCCC1 ZINC000165408709 385119810 /nfs/dbraw/zinc/11/98/10/385119810.db2.gz WSLDBLMKIUDIKN-UHFFFAOYSA-N 0 1 223.291 2.906 20 10 BFCDMN C[N@H+](Cc1ccccc1O)C[C@H]1CCC=CO1 ZINC000193757383 385411358 /nfs/dbraw/zinc/41/13/58/385411358.db2.gz XOGJZQNNXSOETQ-CYBMUJFWSA-N 0 1 233.311 2.517 20 10 BFCDMN CC(C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000157753126 385520678 /nfs/dbraw/zinc/52/06/78/385520678.db2.gz UJHIEBCIYSLBPT-UHFFFAOYSA-N 0 1 213.708 2.886 20 10 BFCDMN CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000052067540 170141334 /nfs/dbraw/zinc/14/13/34/170141334.db2.gz UOJSCVFLELGOJO-ZETCQYMHSA-N 0 1 244.132 2.825 20 10 BFCDMN CCOCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132762784 170390014 /nfs/dbraw/zinc/39/00/14/170390014.db2.gz BWFMZBAZSJLSQR-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CCOCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132762784 170390016 /nfs/dbraw/zinc/39/00/16/170390016.db2.gz BWFMZBAZSJLSQR-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CC[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551265 171342468 /nfs/dbraw/zinc/34/24/68/171342468.db2.gz REGVAKLWOKRNSI-QMMMGPOBSA-N 0 1 213.708 2.934 20 10 BFCDMN COc1ccc(CNCc2ccco2)cc1C ZINC000035052503 175107930 /nfs/dbraw/zinc/10/79/30/175107930.db2.gz KQFKDPMSNQSZGR-UHFFFAOYSA-N 0 1 231.295 2.886 20 10 BFCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2[O-])C1 ZINC000028221884 176361230 /nfs/dbraw/zinc/36/12/30/176361230.db2.gz OFMMEOCCIXICEB-VXGBXAGGSA-N 0 1 219.328 2.870 20 10 BFCDMN C[C@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000123536351 177381889 /nfs/dbraw/zinc/38/18/89/177381889.db2.gz GSFRRRGCMPBNKA-IUCAKERBSA-N 0 1 225.719 2.791 20 10 BFCDMN CO[C@H](C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000264954472 491091320 /nfs/dbraw/zinc/09/13/20/491091320.db2.gz LVCIJWFKEYSVGT-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN CCn1ccnc1NCc1cc(C)c(C)cc1O ZINC000840886592 582943061 /nfs/dbraw/zinc/94/30/61/582943061.db2.gz IGYADYYUOSVKGW-UHFFFAOYSA-N 0 1 245.326 2.838 20 10 BFCDMN C[N@@H+](CCC1CC1)Cc1cc(F)cc(F)c1[O-] ZINC000894095017 583299912 /nfs/dbraw/zinc/29/99/12/583299912.db2.gz OAYVVCJUEIDFSO-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000894861665 583535473 /nfs/dbraw/zinc/53/54/73/583535473.db2.gz LPLPJDNQLLDPQG-JGVFFNPUSA-N 0 1 227.254 2.511 20 10 BFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000894880063 583543410 /nfs/dbraw/zinc/54/34/10/583543410.db2.gz BUVMDZCKPSJJFM-GFCCVEGCSA-N 0 1 239.265 2.655 20 10 BFCDMN CCOc1ccc(C[N@@H+](CC)C2CC2)c(O)c1 ZINC000768300446 585535594 /nfs/dbraw/zinc/53/55/94/585535594.db2.gz CCDRSIBTCVJSOP-UHFFFAOYSA-N 0 1 235.327 2.775 20 10 BFCDMN C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1F ZINC000779151249 585745929 /nfs/dbraw/zinc/74/59/29/585745929.db2.gz WCOKPFWKJOUDKG-BXKDBHETSA-N 0 1 241.281 2.711 20 10 BFCDMN Cc1ccc(O)c(CNCc2cccnc2F)c1 ZINC000793286113 586015993 /nfs/dbraw/zinc/01/59/93/586015993.db2.gz UBNWCGDVUWHQQH-UHFFFAOYSA-N 0 1 246.285 2.525 20 10 BFCDMN Cc1cc(CN2CC[C@@H](F)C2)ccc1N(C)C ZINC000830480121 587553895 /nfs/dbraw/zinc/55/38/95/587553895.db2.gz MLPWCJURLRFALO-CYBMUJFWSA-N 0 1 236.334 2.605 20 10 BFCDMN COC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744724 587973605 /nfs/dbraw/zinc/97/36/05/587973605.db2.gz SFQWTUKFVWDTNF-IUCAKERBSA-N 0 1 243.734 2.731 20 10 BFCDMN CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746178 587973959 /nfs/dbraw/zinc/97/39/59/587973959.db2.gz VZNUQILOSIMADD-SECBINFHSA-N 0 1 243.734 2.733 20 10 BFCDMN Cc1ccc(C[N@H+]2CCCSCC2)c(O)c1 ZINC000877170496 590295877 /nfs/dbraw/zinc/29/58/77/590295877.db2.gz PHFZKVLXSFVGTJ-UHFFFAOYSA-N 0 1 237.368 2.640 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000877566003 590360545 /nfs/dbraw/zinc/36/05/45/590360545.db2.gz UHBTYVDAABXZFD-IUODEOHRSA-N 0 1 249.354 2.557 20 10 BFCDMN CC[C@](C)(C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877702735 590396344 /nfs/dbraw/zinc/39/63/44/590396344.db2.gz FSTVJEVTRVNMGG-CQSZACIVSA-N 0 1 235.327 2.523 20 10 BFCDMN CC1(C)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000877717560 590399515 /nfs/dbraw/zinc/39/95/15/590399515.db2.gz LBMVHEGEAINGFR-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCF ZINC000309112090 631887634 /nfs/dbraw/zinc/88/76/34/631887634.db2.gz KAIKKQHACINGQX-UHFFFAOYSA-N 0 1 231.698 2.885 20 10 BFCDMN C[N@H+](Cc1ccccc1[O-])C[Si](C)(C)C ZINC000171926744 641021173 /nfs/dbraw/zinc/02/11/73/641021173.db2.gz JXOROFDZWANETL-UHFFFAOYSA-N 0 1 223.392 2.701 20 10 BFCDMN C[N@@H+](Cc1ccccc1[O-])C[Si](C)(C)C ZINC000171926744 641021178 /nfs/dbraw/zinc/02/11/78/641021178.db2.gz JXOROFDZWANETL-UHFFFAOYSA-N 0 1 223.392 2.701 20 10 BFCDMN Oc1c(Cl)cccc1CN1CCC(F)(F)C1 ZINC000313305178 641553253 /nfs/dbraw/zinc/55/32/53/641553253.db2.gz BUUCALZJQHECOJ-UHFFFAOYSA-N 0 1 247.672 2.887 20 10 BFCDMN CN1CCC[C@H]1CSc1ncc(Cl)s1 ZINC000918096590 642169065 /nfs/dbraw/zinc/16/90/65/642169065.db2.gz WCEVWBMCXMSCNW-ZETCQYMHSA-N 0 1 248.804 2.983 20 10 BFCDMN c1cc(CNCc2ccc3c(c2)CCCO3)co1 ZINC000921583916 643615391 /nfs/dbraw/zinc/61/53/91/643615391.db2.gz UORAMOYGFWEOPU-UHFFFAOYSA-N 0 1 243.306 2.894 20 10 BFCDMN CSCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825049241 645061103 /nfs/dbraw/zinc/06/11/03/645061103.db2.gz DMVKYNZQICAYQW-UHFFFAOYSA-N 0 1 245.775 2.807 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000703444890 712075799 /nfs/dbraw/zinc/07/57/99/712075799.db2.gz AGFVLEXIWGNVOG-BDAKNGLRSA-N 0 1 241.281 2.901 20 10 BFCDMN CC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703484847 712076695 /nfs/dbraw/zinc/07/66/95/712076695.db2.gz ZPKSIEAHEHEAHZ-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN CC1(C)CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708401401 712193050 /nfs/dbraw/zinc/19/30/50/712193050.db2.gz RHDZEUVKZNYUDE-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN Oc1c(F)cc(F)cc1CN1CCC[C@H](F)C1 ZINC000708441507 712194790 /nfs/dbraw/zinc/19/47/90/712194790.db2.gz IQWPTORFJFJTAX-VIFPVBQESA-N 0 1 245.244 2.604 20 10 BFCDMN CCc1cccc(CN2CCOCC2(C)C)c1O ZINC000709310325 712219776 /nfs/dbraw/zinc/21/97/76/712219776.db2.gz XOYMGBMNYCVUSR-UHFFFAOYSA-N 0 1 249.354 2.565 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715272135 712514953 /nfs/dbraw/zinc/51/49/53/712514953.db2.gz OPACXBOWYVSHQL-LLVKDONJSA-N 0 1 223.703 2.688 20 10 BFCDMN C[N@@H+](CCCF)Cc1cccc(Cl)c1[O-] ZINC000716627046 712567966 /nfs/dbraw/zinc/56/79/66/712567966.db2.gz IBZPBIOFYIICJO-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN CN(C)c1ccc(CN2CC=CC2)c(Cl)c1 ZINC001140921946 960684593 /nfs/dbraw/zinc/68/45/93/960684593.db2.gz XEAGPOOSSUHFPA-UHFFFAOYSA-N 0 1 236.746 2.778 20 10 BFCDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CC1 ZINC001237804656 980055263 /nfs/dbraw/zinc/05/52/63/980055263.db2.gz DUIZFLQFKFVJAO-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN Oc1ccc(Cl)cc1Nc1ccncc1 ZINC001216397047 971075268 /nfs/dbraw/zinc/07/52/68/971075268.db2.gz XJCNSEGUVNKDHE-UHFFFAOYSA-N 0 1 220.659 2.606 20 10 BFCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001140585365 960444188 /nfs/dbraw/zinc/44/41/88/960444188.db2.gz GXQHLDSENDJRPI-QPUJVOFHSA-N 0 1 239.265 2.655 20 10 BFCDMN Cc1ccc(NCc2ccc(N)cc2)nc1C ZINC001162784608 965168974 /nfs/dbraw/zinc/16/89/74/965168974.db2.gz SBZFLHKPMZROEH-UHFFFAOYSA-N 0 1 227.311 2.893 20 10 BFCDMN C[C@@]1(F)CCN(Cc2ccccc2O)C[C@H]1F ZINC001203550512 966677306 /nfs/dbraw/zinc/67/73/06/966677306.db2.gz WSCNSXLZKPTCLJ-CHWSQXEVSA-N 0 1 241.281 2.664 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1C ZINC001204276056 966950763 /nfs/dbraw/zinc/95/07/63/966950763.db2.gz FDLRQZUTVIWYKI-RYUDHWBXSA-N 0 1 249.354 2.966 20 10 BFCDMN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCC[C@@H]1C ZINC001204276056 966950774 /nfs/dbraw/zinc/95/07/74/966950774.db2.gz FDLRQZUTVIWYKI-RYUDHWBXSA-N 0 1 249.354 2.966 20 10 BFCDMN CCC[N@@H+](Cc1ccc(O)cc1[O-])CC(C)C ZINC001204277886 966957845 /nfs/dbraw/zinc/95/78/45/966957845.db2.gz NRWBOFZWTHVNON-UHFFFAOYSA-N 0 1 237.343 2.966 20 10 BFCDMN CCC[N@H+](Cc1ccc(O)cc1[O-])CC(C)C ZINC001204277886 966957855 /nfs/dbraw/zinc/95/78/55/966957855.db2.gz NRWBOFZWTHVNON-UHFFFAOYSA-N 0 1 237.343 2.966 20 10 BFCDMN Oc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001204276991 966958977 /nfs/dbraw/zinc/95/89/77/966958977.db2.gz VDUBMMRYMXDINA-NEPJUHHUSA-N 0 1 247.338 2.720 20 10 BFCDMN CN(C)c1ccc(OC2CN(C(C)(C)C)C2)cc1 ZINC001227939563 975802655 /nfs/dbraw/zinc/80/26/55/975802655.db2.gz ZQAXZEGUZAZXMK-UHFFFAOYSA-N 0 1 248.370 2.614 20 10 BFCDMN CN(c1ccc(N)cc1)c1cccc2[nH]ncc21 ZINC001174345252 976570010 /nfs/dbraw/zinc/57/00/10/976570010.db2.gz QBNWWDKQBJNQTR-UHFFFAOYSA-N 0 1 238.294 2.913 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC001231909435 977789953 /nfs/dbraw/zinc/78/99/53/977789953.db2.gz NQAXASJJBBLNHC-KCJUWKMLSA-N 0 1 243.709 2.835 20 10 BFCDMN CC1(C)CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260903 977989893 /nfs/dbraw/zinc/98/98/93/977989893.db2.gz SQPXLSKPGINFHI-UHFFFAOYSA-N 0 1 241.718 2.593 20 10 BFCDMN CC1CC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074889 978459409 /nfs/dbraw/zinc/45/94/09/978459409.db2.gz ZMIHMAFAPPHBEJ-UHFFFAOYSA-N 0 1 241.281 2.901 20 10 BFCDMN CCCC[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233331689 978560078 /nfs/dbraw/zinc/56/00/78/978560078.db2.gz HAIWYFOEQLXNNJ-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN CCC[N@@H+](CC)Cc1c([O-])ccc(F)c1F ZINC001233331819 978563101 /nfs/dbraw/zinc/56/31/01/978563101.db2.gz MKEFXWLXDKRPJS-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233331841 978563671 /nfs/dbraw/zinc/56/36/71/978563671.db2.gz MWZIQYXKYSBDFO-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC12CC2 ZINC001233331883 978564511 /nfs/dbraw/zinc/56/45/11/978564511.db2.gz OPXVWBKNOPOEEV-UHFFFAOYSA-N 0 1 239.265 2.799 20 10 BFCDMN CCc1ccc(CN2CCOC[C@H]2CC)c(O)c1 ZINC001236791752 979737695 /nfs/dbraw/zinc/73/76/95/979737695.db2.gz JWYWFLZKOQMKTJ-CQSZACIVSA-N 0 1 249.354 2.565 20 10 BFCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237489448 979910266 /nfs/dbraw/zinc/91/02/66/979910266.db2.gz AWRZBCMUABNPRD-YPMHNXCESA-N 0 1 217.312 2.685 20 10 BFCDMN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C1CC1 ZINC001237933648 980114916 /nfs/dbraw/zinc/11/49/16/980114916.db2.gz FHZKEXDPJKZRDP-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684407 987398236 /nfs/dbraw/zinc/39/82/36/987398236.db2.gz IYLLNLHXQPTFSC-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308691682 991094962 /nfs/dbraw/zinc/09/49/62/991094962.db2.gz VGXIOLKGANQYEE-IUCAKERBSA-N 0 1 243.734 2.559 20 10 BFCDMN CC[C@H](C)[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139681770 991309719 /nfs/dbraw/zinc/30/97/19/991309719.db2.gz WWGINVYXDHDVDY-QMMMGPOBSA-N 0 1 229.270 2.901 20 10 BFCDMN CC[N@@H+](Cc1c([O-])cc(F)cc1F)C(C)C ZINC001140580172 991670518 /nfs/dbraw/zinc/67/05/18/991670518.db2.gz UHLHSELGPUEQMH-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC23CC3)cc1Cl ZINC001261677062 992461243 /nfs/dbraw/zinc/46/12/43/992461243.db2.gz DYEXQNNLVHIWES-GFCCVEGCSA-N 0 1 237.730 2.996 20 10 BFCDMN CC[N@@H+](Cc1cccc(F)c1[O-])C(C)C ZINC000165412586 361839178 /nfs/dbraw/zinc/83/91/78/361839178.db2.gz ZFXSSDSUSAJALN-UHFFFAOYSA-N 0 1 211.280 2.762 20 10 BFCDMN CC[N@@H+](Cc1cc(OC)ccc1O)C(C)C ZINC000132568771 345335250 /nfs/dbraw/zinc/33/52/50/345335250.db2.gz KNMVKQPPJRHWJN-UHFFFAOYSA-N 0 1 223.316 2.631 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000378492393 188252385 /nfs/dbraw/zinc/25/23/85/188252385.db2.gz HRJMVLBKLFALNK-ZDUSSCGKSA-N 0 1 235.302 2.906 20 10 BFCDMN [O-]c1ccc(F)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000226587627 183275260 /nfs/dbraw/zinc/27/52/60/183275260.db2.gz CPBNCYMQOVZJGS-UHFFFAOYSA-N 0 1 235.302 2.810 20 10 BFCDMN Oc1cccc(Cl)c1CN1CCC[C@H]1CF ZINC000294103414 183292775 /nfs/dbraw/zinc/29/27/75/183292775.db2.gz SHCPVQBQHHSUOH-VIFPVBQESA-N 0 1 243.709 2.980 20 10 BFCDMN Oc1cccc(Cl)c1CN1CCC[C@@H]1CF ZINC000294103410 183293300 /nfs/dbraw/zinc/29/33/00/183293300.db2.gz SHCPVQBQHHSUOH-SECBINFHSA-N 0 1 243.709 2.980 20 10 BFCDMN C[C@H]([NH2+]CCCO)c1ccc2ccccc2c1[O-] ZINC000020187942 384589368 /nfs/dbraw/zinc/58/93/68/384589368.db2.gz YNOOVCNXUNRKKF-NSHDSACASA-N 0 1 245.322 2.578 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000130049860 386136203 /nfs/dbraw/zinc/13/62/03/386136203.db2.gz SYKAAOQINFFAPT-UHFFFAOYSA-N 0 1 229.707 2.506 20 10 BFCDMN CCOCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551138 170380515 /nfs/dbraw/zinc/38/05/15/170380515.db2.gz NWXKAEGTLMAOGN-UHFFFAOYSA-N 0 1 243.734 2.562 20 10 BFCDMN CCOCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000165418858 170390344 /nfs/dbraw/zinc/39/03/44/170390344.db2.gz AQVOEOCOQOYPPY-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019882482 171343120 /nfs/dbraw/zinc/34/31/20/171343120.db2.gz AHMRVYXKGCLVNH-QMMMGPOBSA-N 0 1 213.708 2.934 20 10 BFCDMN COCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551931 174200028 /nfs/dbraw/zinc/20/00/28/174200028.db2.gz APIJNKGCUDYNTN-UHFFFAOYSA-N 0 1 243.734 2.562 20 10 BFCDMN COCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134903587 174250672 /nfs/dbraw/zinc/25/06/72/174250672.db2.gz AYJPRMWRJUKSPE-SECBINFHSA-N 0 1 243.734 2.733 20 10 BFCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000165409772 176101579 /nfs/dbraw/zinc/10/15/79/176101579.db2.gz CXLVRFROGRWHLK-SNVBAGLBSA-N 0 1 223.291 2.763 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165415763 177110655 /nfs/dbraw/zinc/11/06/55/177110655.db2.gz LCWDUJFBTNUFBT-VIFPVBQESA-N 0 1 209.264 2.516 20 10 BFCDMN CC[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551263 491126419 /nfs/dbraw/zinc/12/64/19/491126419.db2.gz REGVAKLWOKRNSI-MRVPVSSYSA-N 0 1 213.708 2.934 20 10 BFCDMN CSCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840877014 582875516 /nfs/dbraw/zinc/87/55/16/582875516.db2.gz RNDZKMHBHLHGGC-UHFFFAOYSA-N 0 1 245.775 2.807 20 10 BFCDMN CC[N@H+](Cc1cc(F)cc(F)c1[O-])CC1CC1 ZINC000894021404 583274961 /nfs/dbraw/zinc/27/49/61/583274961.db2.gz SHVVLNGYAOWNFD-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN CCc1ncc(CNCc2c(C)cccc2O)o1 ZINC000877572417 583335185 /nfs/dbraw/zinc/33/51/85/583335185.db2.gz GKMMHFWZXHEOKB-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN [O-]c1c(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc(F)c1F ZINC000877635552 583340574 /nfs/dbraw/zinc/34/05/74/583340574.db2.gz WEJWIPYRRIOGLS-WPRPVWTQSA-N 0 1 239.265 2.512 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894862460 583537060 /nfs/dbraw/zinc/53/70/60/583537060.db2.gz YUIKOGASBYUDDJ-YUMQZZPRSA-N 0 1 227.254 2.511 20 10 BFCDMN Cc1cccc(CN2CC(C(F)(F)F)C2)c1O ZINC000894891547 583548729 /nfs/dbraw/zinc/54/87/29/583548729.db2.gz IHVWPVVUPFULGY-UHFFFAOYSA-N 0 1 245.244 2.695 20 10 BFCDMN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000895929127 583748689 /nfs/dbraw/zinc/74/86/89/583748689.db2.gz XPPGBKGJVCVWAF-TZMCWYRMSA-N 0 1 249.354 2.700 20 10 BFCDMN Cc1nc(C)c(CN(C)Cc2ccccc2O)o1 ZINC000788021075 583933822 /nfs/dbraw/zinc/93/38/22/583933822.db2.gz XLCHCSAGBOZENC-UHFFFAOYSA-N 0 1 246.310 2.629 20 10 BFCDMN Cc1ncc(CNCc2cc(C)c(C)cc2O)o1 ZINC000839170868 585096437 /nfs/dbraw/zinc/09/64/37/585096437.db2.gz ULBSCWJIBGHYPR-UHFFFAOYSA-N 0 1 246.310 2.595 20 10 BFCDMN Cc1ccc([C@@H](C)NCc2cc[nH]n2)c(O)c1C ZINC000756552688 585321007 /nfs/dbraw/zinc/32/10/07/585321007.db2.gz GXHZRXMNYSHYOE-LLVKDONJSA-N 0 1 245.326 2.583 20 10 BFCDMN Cc1ccc([C@H](C)NCc2cc[nH]n2)c(O)c1C ZINC000756552712 585321078 /nfs/dbraw/zinc/32/10/78/585321078.db2.gz GXHZRXMNYSHYOE-NSHDSACASA-N 0 1 245.326 2.583 20 10 BFCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652492 585682560 /nfs/dbraw/zinc/68/25/60/585682560.db2.gz LUDKOXRKPYOHIE-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1F ZINC000779151251 585745814 /nfs/dbraw/zinc/74/58/14/585745814.db2.gz WCOKPFWKJOUDKG-CABZTGNLSA-N 0 1 241.281 2.711 20 10 BFCDMN CC[C@@H](NCc1cocn1)c1ccc(C)cc1O ZINC000794816206 586049538 /nfs/dbraw/zinc/04/95/38/586049538.db2.gz YBILSJZAVRJJIQ-CYBMUJFWSA-N 0 1 246.310 2.930 20 10 BFCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000816647073 586748560 /nfs/dbraw/zinc/74/85/60/586748560.db2.gz NDMKCHJIBPVLNC-RKDXNWHRSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000816647073 586748561 /nfs/dbraw/zinc/74/85/61/586748561.db2.gz NDMKCHJIBPVLNC-RKDXNWHRSA-N 0 1 225.719 2.886 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000824814429 587288827 /nfs/dbraw/zinc/28/88/27/587288827.db2.gz ABJVBDOPMLMWCB-SWLSCSKDSA-N 0 1 249.354 2.557 20 10 BFCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506032 587384071 /nfs/dbraw/zinc/38/40/71/587384071.db2.gz BNPFGVRTKZKZPQ-UWVGGRQHSA-N 0 1 237.730 2.887 20 10 BFCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506032 587384073 /nfs/dbraw/zinc/38/40/73/587384073.db2.gz BNPFGVRTKZKZPQ-UWVGGRQHSA-N 0 1 237.730 2.887 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]CCCF)c(Cl)c1 ZINC000840908692 587929173 /nfs/dbraw/zinc/92/91/73/587929173.db2.gz IPEDUHJIDLFJMC-UHFFFAOYSA-N 0 1 231.698 2.803 20 10 BFCDMN C[C@H](N[C@@H](C)c1ccccc1O)c1nccn1C ZINC000850572176 588561265 /nfs/dbraw/zinc/56/12/65/588561265.db2.gz HKRDMJYTCCZKSR-QWRGUYRKSA-N 0 1 245.326 2.538 20 10 BFCDMN CC(C)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862212066 589194499 /nfs/dbraw/zinc/19/44/99/589194499.db2.gz OZGQJFQCKCGPBT-UHFFFAOYSA-N 0 1 242.313 2.871 20 10 BFCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443647 589214178 /nfs/dbraw/zinc/21/41/78/589214178.db2.gz RPYVOVJIFAHYOD-OCAPTIKFSA-N 0 1 241.693 2.636 20 10 BFCDMN Cc1cccc(O)c1C[N@H+]1CCCOC(C)(C)C1 ZINC000876752786 590238206 /nfs/dbraw/zinc/23/82/06/590238206.db2.gz YUPRRFROIQLHSR-UHFFFAOYSA-N 0 1 249.354 2.702 20 10 BFCDMN Cc1cccc(O)c1C[N@@H+](C)Cc1ccc[nH]1 ZINC000876790631 590241532 /nfs/dbraw/zinc/24/15/32/590241532.db2.gz STHZUHCZADBDSI-UHFFFAOYSA-N 0 1 230.311 2.661 20 10 BFCDMN [O-]c1c(C[NH2+]C2CSC2)ccc2ccccc21 ZINC000877634652 590379476 /nfs/dbraw/zinc/37/94/76/590379476.db2.gz PFLCBXJTHWTSMN-UHFFFAOYSA-N 0 1 245.347 2.750 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]C2CSC2)c(Cl)c1 ZINC000877634558 590380189 /nfs/dbraw/zinc/38/01/89/590380189.db2.gz RVHWKCYBPYDGAZ-UHFFFAOYSA-N 0 1 243.759 2.559 20 10 BFCDMN CCC[C@H](C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877702898 590396496 /nfs/dbraw/zinc/39/64/96/590396496.db2.gz JHDPVRZFTJWJNN-GFCCVEGCSA-N 0 1 235.327 2.523 20 10 BFCDMN Cc1cnccc1CN1Cc2cccc(O)c2C1 ZINC000877703248 590396862 /nfs/dbraw/zinc/39/68/62/590396862.db2.gz YEHUBTALHDHSGF-UHFFFAOYSA-N 0 1 240.306 2.611 20 10 BFCDMN C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000877755560 590417298 /nfs/dbraw/zinc/41/72/98/590417298.db2.gz FOZBGNCVAOUENY-UPJWGTAASA-N 0 1 248.370 2.526 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CC=CC1 ZINC000131181683 591566702 /nfs/dbraw/zinc/56/67/02/591566702.db2.gz IVCCNFSOCKMFJC-UHFFFAOYSA-N 0 1 223.703 2.854 20 10 BFCDMN C[C@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000136402009 592117225 /nfs/dbraw/zinc/11/72/25/592117225.db2.gz NXFWUGRGXMQVOS-IUCAKERBSA-N 0 1 225.719 2.791 20 10 BFCDMN CC[C@@H](COC)[NH2+]Cc1c([O-])cccc1Cl ZINC000084225640 631437224 /nfs/dbraw/zinc/43/72/24/631437224.db2.gz NLPYLTOGJWTPOT-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN c1coc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000062351254 641040117 /nfs/dbraw/zinc/04/01/17/641040117.db2.gz BXKCZRSVASCACA-UHFFFAOYSA-N 0 1 243.306 2.894 20 10 BFCDMN COCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000082367499 643305201 /nfs/dbraw/zinc/30/52/01/643305201.db2.gz JOADXHWIWUNFGJ-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN CCOC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000044689122 643548297 /nfs/dbraw/zinc/54/82/97/643548297.db2.gz MHUSSODCPOMDOC-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN CCc1cc(CN[C@H](C)c2ccccc2O)on1 ZINC000783514876 644756374 /nfs/dbraw/zinc/75/63/74/644756374.db2.gz UUWWRLBJMOQFFM-SNVBAGLBSA-N 0 1 246.310 2.793 20 10 BFCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CF)cc1Cl ZINC000825998501 645064716 /nfs/dbraw/zinc/06/47/16/645064716.db2.gz OCRNUTXCBPBEBG-QMMMGPOBSA-N 0 1 231.698 2.802 20 10 BFCDMN CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701012984 712011800 /nfs/dbraw/zinc/01/18/00/712011800.db2.gz IUTKAHOWURXIEW-UHFFFAOYSA-N 0 1 244.132 2.654 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC12CC2 ZINC000715272138 712514849 /nfs/dbraw/zinc/51/48/49/712514849.db2.gz OPACXBOWYVSHQL-NSHDSACASA-N 0 1 223.703 2.688 20 10 BFCDMN CC[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000390181937 711106881 /nfs/dbraw/zinc/10/68/81/711106881.db2.gz KCCUIACHLZXLAY-LLVKDONJSA-N 0 1 243.734 2.560 20 10 BFCDMN C/C=C\C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000385002704 711003240 /nfs/dbraw/zinc/00/32/40/711003240.db2.gz MECVFOVVQNMMMP-IHWYPQMZSA-N 0 1 211.692 2.711 20 10 BFCDMN Cc1ncc(CN[C@H](C)c2cc(C)ccc2O)o1 ZINC000397898408 711395711 /nfs/dbraw/zinc/39/57/11/711395711.db2.gz ANLQCDCUROLGNN-SNVBAGLBSA-N 0 1 246.310 2.848 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C=CCC1 ZINC000700489420 711994265 /nfs/dbraw/zinc/99/42/65/711994265.db2.gz PDQNTCVQWVDGKO-LLVKDONJSA-N 0 1 223.703 2.854 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000703457948 712076227 /nfs/dbraw/zinc/07/62/27/712076227.db2.gz HCJMONUUDDIXGB-DTORHVGOSA-N 0 1 241.281 2.758 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708415282 712194014 /nfs/dbraw/zinc/19/40/14/712194014.db2.gz WFXNPJXGSYYSRX-VIFPVBQESA-N 0 1 241.281 2.902 20 10 BFCDMN C[N@H+](CCCF)Cc1cc(Cl)ccc1[O-] ZINC000716631600 712568010 /nfs/dbraw/zinc/56/80/10/712568010.db2.gz VNQVAOYDZZQYNG-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN C[N@@H+](CCCF)Cc1cc(Cl)ccc1[O-] ZINC000716631600 712568011 /nfs/dbraw/zinc/56/80/11/712568011.db2.gz VNQVAOYDZZQYNG-UHFFFAOYSA-N 0 1 231.698 2.837 20 10 BFCDMN CC1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921694 960688954 /nfs/dbraw/zinc/68/89/54/960688954.db2.gz NGHPDYMJNJNCGA-UHFFFAOYSA-N 0 1 238.762 2.858 20 10 BFCDMN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001142508936 961464778 /nfs/dbraw/zinc/46/47/78/961464778.db2.gz QKGYYPBQKIOVOU-UHFFFAOYSA-N 0 1 227.254 2.655 20 10 BFCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237802048 980048961 /nfs/dbraw/zinc/04/89/61/980048961.db2.gz XFMXPCCFVPHXMZ-OCAPTIKFSA-N 0 1 241.693 2.636 20 10 BFCDMN CCCC[N@@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140579903 960441423 /nfs/dbraw/zinc/44/14/23/960441423.db2.gz LNUANVPVARQCDQ-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140950760 960762742 /nfs/dbraw/zinc/76/27/42/960762742.db2.gz HACKFQGNMZHAJQ-ZDUSSCGKSA-N 0 1 247.338 2.502 20 10 BFCDMN CCCC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142502783 961454510 /nfs/dbraw/zinc/45/45/10/961454510.db2.gz XURSLCPFRNZNQW-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN CCC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142501861 961456902 /nfs/dbraw/zinc/45/69/02/961456902.db2.gz CZOZUSKZXMAAIF-UHFFFAOYSA-N 0 1 215.243 2.512 20 10 BFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001142512933 961466032 /nfs/dbraw/zinc/46/60/32/961466032.db2.gz QFVYMPCRXBQZLQ-UHFFFAOYSA-N 0 1 239.265 2.656 20 10 BFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001142524742 961475356 /nfs/dbraw/zinc/47/53/56/961475356.db2.gz IVXDOSBRGRPIEN-WCBMZHEXSA-N 0 1 239.265 2.655 20 10 BFCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CCC1 ZINC001142524847 961479320 /nfs/dbraw/zinc/47/93/20/961479320.db2.gz NAGKVHHJSBNQCN-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN C[C@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275793 966953969 /nfs/dbraw/zinc/95/39/69/966953969.db2.gz BLDUYUPYZRFIAB-NSHDSACASA-N 0 1 235.327 2.720 20 10 BFCDMN C[C@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275793 966953976 /nfs/dbraw/zinc/95/39/76/966953976.db2.gz BLDUYUPYZRFIAB-NSHDSACASA-N 0 1 235.327 2.720 20 10 BFCDMN CCC[N@@H+](Cc1ccc(O)cc1[O-])CC1CC1 ZINC001204272205 966956074 /nfs/dbraw/zinc/95/60/74/966956074.db2.gz JMSNECQPZSDKFB-UHFFFAOYSA-N 0 1 235.327 2.720 20 10 BFCDMN CCC[N@H+](Cc1ccc(O)cc1[O-])CC1CC1 ZINC001204272205 966956077 /nfs/dbraw/zinc/95/60/77/966956077.db2.gz JMSNECQPZSDKFB-UHFFFAOYSA-N 0 1 235.327 2.720 20 10 BFCDMN C/C=C(\C)c1ccc(N2CCN(C)CC2)cc1 ZINC001242758853 970056328 /nfs/dbraw/zinc/05/63/28/970056328.db2.gz JEZWXNUJTRWGMV-YIXHJXPBSA-N 0 1 230.355 2.862 20 10 BFCDMN Cc1cc(C)c(O)c(Nc2ccncc2)c1 ZINC001173882785 975943729 /nfs/dbraw/zinc/94/37/29/975943729.db2.gz UCDUTRYQWUTBHT-UHFFFAOYSA-N 0 1 214.268 2.570 20 10 BFCDMN Oc1cccc(Cl)c1Nc1ccncc1 ZINC001173883850 975962395 /nfs/dbraw/zinc/96/23/95/975962395.db2.gz XFCIVRUTELVIDI-UHFFFAOYSA-N 0 1 220.659 2.606 20 10 BFCDMN Nc1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174502086 976835836 /nfs/dbraw/zinc/83/58/36/976835836.db2.gz 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BFCDMN COc1cc([O-])c(C[N@H+](C)C2CC2)cc1Cl ZINC001232266915 977986111 /nfs/dbraw/zinc/98/61/11/977986111.db2.gz SQYKOTNDLGYGHM-UHFFFAOYSA-N 0 1 241.718 2.648 20 10 BFCDMN COc1cc([O-])c(C[N@@H+](C)C2CC2)cc1Cl ZINC001232266915 977986115 /nfs/dbraw/zinc/98/61/15/977986115.db2.gz SQYKOTNDLGYGHM-UHFFFAOYSA-N 0 1 241.718 2.648 20 10 BFCDMN COc1ccc(C[N@H+]2CC[C@@H]2C)c([O-])c1Cl ZINC001236801166 979741329 /nfs/dbraw/zinc/74/13/29/979741329.db2.gz GLRDHCXHLHHIND-QMMMGPOBSA-N 0 1 241.718 2.648 20 10 BFCDMN CC(C)[NH+](Cc1ccc(O)cc1[O-])C(C)C ZINC000197748369 972407177 /nfs/dbraw/zinc/40/71/77/972407177.db2.gz AKWCSJYCXUAUHZ-UHFFFAOYSA-N 0 1 223.316 2.717 20 10 BFCDMN CN(Cc1ccsc1)Cc1cc(O)ccc1O ZINC001141160406 960415319 /nfs/dbraw/zinc/41/53/19/960415319.db2.gz XMWPELONOPSFLS-UHFFFAOYSA-N 0 1 249.335 2.791 20 10 BFCDMN CN(Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203873329 966802619 /nfs/dbraw/zinc/80/26/19/966802619.db2.gz CSFVFRQKTBOKGB-UHFFFAOYSA-N 0 1 243.306 2.730 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCCC12CC2 ZINC001137831572 967821031 /nfs/dbraw/zinc/82/10/31/967821031.db2.gz FQONLSBQMWVXOA-UHFFFAOYSA-N 0 1 221.275 2.660 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001137831946 967824911 /nfs/dbraw/zinc/82/49/11/967824911.db2.gz UDXTWISPUVJZNC-SNVBAGLBSA-N 0 1 241.281 2.855 20 10 BFCDMN CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC001207471916 968793916 /nfs/dbraw/zinc/79/39/16/968793916.db2.gz WXISMIOUKNPLBI-ZDUSSCGKSA-N 0 1 249.354 2.641 20 10 BFCDMN CC[N@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC001207471915 968794950 /nfs/dbraw/zinc/79/49/50/968794950.db2.gz WXISMIOUKNPLBI-CYBMUJFWSA-N 0 1 249.354 2.641 20 10 BFCDMN CCc1cccc(CNCc2cnc(C)o2)c1O ZINC000691478890 970006554 /nfs/dbraw/zinc/00/65/54/970006554.db2.gz YLBDTISLTIKXKW-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN Nc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174278139 976503711 /nfs/dbraw/zinc/50/37/11/976503711.db2.gz RAVOGHCGRABNQI-UHFFFAOYSA-N 0 1 224.267 2.660 20 10 BFCDMN Cc1ccc(CN(C)Cc2ccc(N)cc2)nc1 ZINC001335289192 976928072 /nfs/dbraw/zinc/92/80/72/976928072.db2.gz KUNXNRKXFBFSOH-UHFFFAOYSA-N 0 1 241.338 2.604 20 10 BFCDMN COc1cc(Cl)cc(CN2CC[C@H]2C)c1O ZINC001233288152 978533815 /nfs/dbraw/zinc/53/38/15/978533815.db2.gz ZKHYCVBTTVSJCW-MRVPVSSYSA-N 0 1 241.718 2.648 20 10 BFCDMN Oc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001204276992 978927505 /nfs/dbraw/zinc/92/75/05/978927505.db2.gz VDUBMMRYMXDINA-NWDGAFQWSA-N 0 1 247.338 2.720 20 10 BFCDMN COc1cc([O-])c(C[NH+]2CCCC2)c(Cl)c1 ZINC001236805436 979742308 /nfs/dbraw/zinc/74/23/08/979742308.db2.gz YUCAUVSANYPFOR-UHFFFAOYSA-N 0 1 241.718 2.650 20 10 BFCDMN Cc1cccc(O)c1CN(C)Cc1cncs1 ZINC001237491075 979919525 /nfs/dbraw/zinc/91/95/25/979919525.db2.gz GCIAZSJATKBGEI-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN CCc1cccc(CN2CCO[C@@H](C)[C@H]2C)c1O ZINC000692108838 985407151 /nfs/dbraw/zinc/40/71/51/985407151.db2.gz KPTRJUUPZYHWMH-NEPJUHHUSA-N 0 1 249.354 2.564 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831563 990854180 /nfs/dbraw/zinc/85/41/80/990854180.db2.gz FGOJIFWSMJHVHA-JTQLQIEISA-N 0 1 223.291 2.763 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC2(CC2)C1 ZINC001137832662 990857865 /nfs/dbraw/zinc/85/78/65/990857865.db2.gz CQDYFGZACBVJAN-UHFFFAOYSA-N 0 1 221.275 2.517 20 10 BFCDMN Cc1c(CN(C)CCF)c2ccccc2n1C ZINC001138260853 990903856 /nfs/dbraw/zinc/90/38/56/990903856.db2.gz UYEONVCVTJRPIC-UHFFFAOYSA-N 0 1 234.318 2.888 20 10 BFCDMN COc1cc(C)c(C[N@@H+](C)[C@H](C)C2CC2)c(O)c1 ZINC001308769110 991125118 /nfs/dbraw/zinc/12/51/18/991125118.db2.gz FMAWTJPMTUUMQW-LLVKDONJSA-N 0 1 249.354 2.940 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789466 991137005 /nfs/dbraw/zinc/13/70/05/991137005.db2.gz BLKWPQXZKRPZGB-SFYZADRCSA-N 0 1 227.254 2.511 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683789 991311364 /nfs/dbraw/zinc/31/13/64/991311364.db2.gz LMMFERZSVWZYBE-MRVPVSSYSA-N 0 1 227.254 2.655 20 10 BFCDMN CCCC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685867 991318313 /nfs/dbraw/zinc/31/83/13/991318313.db2.gz ZJVKNYMTWXVRJT-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN CC[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689756 991318359 /nfs/dbraw/zinc/31/83/59/991318359.db2.gz LRRIQQMRPWYOEQ-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN CC(C)c1ccc(O)c(CN2CCOC[C@H]2C)c1 ZINC001560791009 991603617 /nfs/dbraw/zinc/60/36/17/991603617.db2.gz YIBVTGSLNUGSQV-GFCCVEGCSA-N 0 1 249.354 2.736 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(F)CC1 ZINC001140461227 991642937 /nfs/dbraw/zinc/64/29/37/991642937.db2.gz HORMBQZPWYHFJR-UHFFFAOYSA-N 0 1 243.709 2.980 20 10 BFCDMN C[C@H]1CC[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000389620315 993755134 /nfs/dbraw/zinc/75/51/34/993755134.db2.gz IISPKHBEHSLLIN-GZMMTYOYSA-N 0 1 225.719 2.934 20 10 BFCDMN Cc1cc(O)c(C[N@@H+](C)CC2CC2)cc1C ZINC000072027069 178194691 /nfs/dbraw/zinc/19/46/91/178194691.db2.gz PRWAGTKACXGQOX-UHFFFAOYSA-N 0 1 219.328 2.851 20 10 BFCDMN CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CCCO1 ZINC000124567083 345047106 /nfs/dbraw/zinc/04/71/06/345047106.db2.gz GTQDAQBMOARRHJ-AWEZNQCLSA-N 0 1 249.354 2.702 20 10 BFCDMN CO[C@@H](C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000264954473 491091281 /nfs/dbraw/zinc/09/12/81/491091281.db2.gz LVCIJWFKEYSVGT-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN Cc1ccc(O)c(C[N@H+]2CCC(C)(C)C2)c1 ZINC000132764301 384249318 /nfs/dbraw/zinc/24/93/18/384249318.db2.gz ISBGLMADGIWHPK-UHFFFAOYSA-N 0 1 219.328 2.933 20 10 BFCDMN Cc1ccoc1CNCc1ccc(N(C)C)cc1 ZINC000135133010 384415768 /nfs/dbraw/zinc/41/57/68/384415768.db2.gz PPWIIVFJSVJVHR-UHFFFAOYSA-N 0 1 244.338 2.944 20 10 BFCDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000289765746 385393015 /nfs/dbraw/zinc/39/30/15/385393015.db2.gz JIIJZVCRTNXZDO-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCCO1 ZINC000281135181 385636974 /nfs/dbraw/zinc/63/69/74/385636974.db2.gz DHXGERNAOCLWQO-AWEZNQCLSA-N 0 1 249.354 2.702 20 10 BFCDMN C[N@@H+](CCCCCF)Cc1ccccc1O ZINC000283991202 385844741 /nfs/dbraw/zinc/84/47/41/385844741.db2.gz GGCXSQMCXWSGRI-UHFFFAOYSA-N 0 1 225.307 2.964 20 10 BFCDMN CCOCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019962997 170380170 /nfs/dbraw/zinc/38/01/70/170380170.db2.gz QSUUHAQHMXDMRV-UHFFFAOYSA-N 0 1 243.734 2.562 20 10 BFCDMN COCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134903570 174249058 /nfs/dbraw/zinc/24/90/58/174249058.db2.gz AYJPRMWRJUKSPE-VIFPVBQESA-N 0 1 243.734 2.733 20 10 BFCDMN COc1ccc(N(C)Cc2cn[nH]c2C)cc1F ZINC000180773472 175135957 /nfs/dbraw/zinc/13/59/57/175135957.db2.gz PWIIIGRESRXYSV-UHFFFAOYSA-N 0 1 249.289 2.502 20 10 BFCDMN COc1cccc(CN(C)Cc2ccco2)c1O ZINC000162167738 175256102 /nfs/dbraw/zinc/25/61/02/175256102.db2.gz BXGVWHQPALANDC-UHFFFAOYSA-N 0 1 247.294 2.626 20 10 BFCDMN C[C@H]1C[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000123535922 177345460 /nfs/dbraw/zinc/34/54/60/177345460.db2.gz GSFRRRGCMPBNKA-DTWKUNHWSA-N 0 1 225.719 2.791 20 10 BFCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777895 582848699 /nfs/dbraw/zinc/84/86/99/582848699.db2.gz ITVCIGKDSNKMHI-NSHDSACASA-N 0 1 242.322 2.782 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777895 582848701 /nfs/dbraw/zinc/84/87/01/582848701.db2.gz ITVCIGKDSNKMHI-NSHDSACASA-N 0 1 242.322 2.782 20 10 BFCDMN CCn1ccnc1NCc1ccc(N(C)C)cc1 ZINC000840886973 582946980 /nfs/dbraw/zinc/94/69/80/582946980.db2.gz POJMSPZQLDUZHU-UHFFFAOYSA-N 0 1 244.342 2.581 20 10 BFCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894136676 583314444 /nfs/dbraw/zinc/31/44/44/583314444.db2.gz AQDJBHGHOMJMCC-GFCCVEGCSA-N 0 1 241.281 2.901 20 10 BFCDMN Cc1ccc(CN(C)Cc2ccns2)c(O)c1 ZINC000895451963 583676569 /nfs/dbraw/zinc/67/65/69/583676569.db2.gz HKTYUMUZOVAQGZ-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN COc1cccc(O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000768138463 585532598 /nfs/dbraw/zinc/53/25/98/585532598.db2.gz LMGPELDHXITTEZ-NSHDSACASA-N 0 1 235.327 2.633 20 10 BFCDMN COc1cccc(O)c1C[N@@H+](C)[C@H](C)C1CC1 ZINC000768420403 585538379 /nfs/dbraw/zinc/53/83/79/585538379.db2.gz DZARODQRYUESNR-SNVBAGLBSA-N 0 1 235.327 2.631 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647902 585682564 /nfs/dbraw/zinc/68/25/64/585682564.db2.gz HGSGBDZFDRXTCW-UHFFFAOYSA-N 0 1 217.671 2.636 20 10 BFCDMN CC[C@H](NCc1ccon1)c1ccc(C)cc1O ZINC000794806219 586049220 /nfs/dbraw/zinc/04/92/20/586049220.db2.gz YZPFFKALLQKSTR-ZDUSSCGKSA-N 0 1 246.310 2.930 20 10 BFCDMN CC[C@@H](NCc1ccon1)c1ccc(C)cc1O ZINC000794806217 586049357 /nfs/dbraw/zinc/04/93/57/586049357.db2.gz YZPFFKALLQKSTR-CYBMUJFWSA-N 0 1 246.310 2.930 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(C2CC2)C1 ZINC000812776810 586584113 /nfs/dbraw/zinc/58/41/13/586584113.db2.gz ZKBXMECMVWRIIE-UHFFFAOYSA-N 0 1 237.730 2.887 20 10 BFCDMN Cc1cc(C)c([C@@H](C)NCc2cc[nH]n2)c(O)c1 ZINC000815577049 586688212 /nfs/dbraw/zinc/68/82/12/586688212.db2.gz FOKKSZDRKZICBN-LLVKDONJSA-N 0 1 245.326 2.583 20 10 BFCDMN C[N@@H+](CCF)Cc1cc(Cl)cc(F)c1[O-] ZINC000816640013 586747136 /nfs/dbraw/zinc/74/71/36/586747136.db2.gz PJCWIVPBWCOMME-UHFFFAOYSA-N 0 1 235.661 2.586 20 10 BFCDMN Oc1cccc(Cl)c1CN1CC2(CC2)C1 ZINC000824533696 587274173 /nfs/dbraw/zinc/27/41/73/587274173.db2.gz KNAQBUNHQVEHCS-UHFFFAOYSA-N 0 1 223.703 2.641 20 10 BFCDMN Oc1c(F)cc(Cl)cc1CN1CC[C@@H](F)C1 ZINC000824571154 587276930 /nfs/dbraw/zinc/27/69/30/587276930.db2.gz KSOQINVLZXWHFQ-SECBINFHSA-N 0 1 247.672 2.729 20 10 BFCDMN CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825058516 587300994 /nfs/dbraw/zinc/30/09/94/587300994.db2.gz ALZQCNZUQOXMEL-UHFFFAOYSA-N 0 1 213.708 2.854 20 10 BFCDMN CCc1ncc(CNCc2cc(C)ccc2O)o1 ZINC000825079411 587302921 /nfs/dbraw/zinc/30/29/21/587302921.db2.gz SCTPHMIAJAFZEU-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506956 587384764 /nfs/dbraw/zinc/38/47/64/587384764.db2.gz PLKMZZBIIZXHLR-UWVGGRQHSA-N 0 1 237.730 2.887 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506956 587384766 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ZINC001140463099 991644415 /nfs/dbraw/zinc/64/44/15/991644415.db2.gz SJSUVDSGHVQGPE-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140463099 991644416 /nfs/dbraw/zinc/64/44/16/991644416.db2.gz SJSUVDSGHVQGPE-MRVPVSSYSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@H]1CC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000389620317 993755915 /nfs/dbraw/zinc/75/59/15/993755915.db2.gz IISPKHBEHSLLIN-KWQFWETISA-N 0 1 225.719 2.934 20 10 BFCDMN CC(C)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165410966 358436181 /nfs/dbraw/zinc/43/61/81/358436181.db2.gz RHTVTUIXLNZPPM-UHFFFAOYSA-N 0 1 211.280 2.619 20 10 BFCDMN CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000157753964 169081918 /nfs/dbraw/zinc/08/19/18/169081918.db2.gz HJMVPLANSYVDHY-UHFFFAOYSA-N 0 1 213.708 2.887 20 10 BFCDMN C[C@@H]([NH2+]CCF)c1cc(Cl)ccc1[O-] ZINC000280886846 385380830 /nfs/dbraw/zinc/38/08/30/385380830.db2.gz BFKYTPRIUYZQSH-SSDOTTSWSA-N 0 1 217.671 2.666 20 10 BFCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1CCC=CO1 ZINC000193757368 385411623 /nfs/dbraw/zinc/41/16/23/385411623.db2.gz XOGJZQNNXSOETQ-ZDUSSCGKSA-N 0 1 233.311 2.517 20 10 BFCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000272534277 177165548 /nfs/dbraw/zinc/16/55/48/177165548.db2.gz ZXZOYVNTKIUZEZ-VHSXEESVSA-N 0 1 223.291 2.762 20 10 BFCDMN Oc1c(F)cc(F)cc1CN1CCC=C(F)C1 ZINC000894426919 583456766 /nfs/dbraw/zinc/45/67/66/583456766.db2.gz HBEUDVGAVWKEOD-UHFFFAOYSA-N 0 1 243.228 2.730 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000894861666 583535099 /nfs/dbraw/zinc/53/50/99/583535099.db2.gz LPLPJDNQLLDPQG-SFYZADRCSA-N 0 1 227.254 2.511 20 10 BFCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000895326878 583651547 /nfs/dbraw/zinc/65/15/47/583651547.db2.gz INFIPBBLGXHZDR-IUCAKERBSA-N 0 1 239.265 2.512 20 10 BFCDMN CC[C@H](NCc1ccon1)c1ccccc1O ZINC000148731263 584035111 /nfs/dbraw/zinc/03/51/11/584035111.db2.gz AQGQBGHDVQSRDN-LBPRGKRZSA-N 0 1 232.283 2.621 20 10 BFCDMN C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccccc1O ZINC000753748757 585268314 /nfs/dbraw/zinc/26/83/14/585268314.db2.gz SSLMJQNBYQAVRT-UHFFFAOYSA-N 0 1 249.354 2.829 20 10 BFCDMN CC[N@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768336348 585535887 /nfs/dbraw/zinc/53/58/87/585535887.db2.gz SASHITMYRJNUAR-UHFFFAOYSA-N 0 1 237.343 2.879 20 10 BFCDMN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000793610362 586024123 /nfs/dbraw/zinc/02/41/23/586024123.db2.gz UVTJUITZUWRBCR-AWEZNQCLSA-N 0 1 249.354 2.519 20 10 BFCDMN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000793610362 586024124 /nfs/dbraw/zinc/02/41/24/586024124.db2.gz UVTJUITZUWRBCR-AWEZNQCLSA-N 0 1 249.354 2.519 20 10 BFCDMN CC[C@@H]1CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000793820118 586027072 /nfs/dbraw/zinc/02/70/72/586027072.db2.gz KCFZKXSTKNZQOH-GFCCVEGCSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[C@@H]1CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000793820118 586027073 /nfs/dbraw/zinc/02/70/73/586027073.db2.gz KCFZKXSTKNZQOH-GFCCVEGCSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[C@H](NCc1cocn1)c1ccc(C)cc1O ZINC000794816208 586049271 /nfs/dbraw/zinc/04/92/71/586049271.db2.gz YBILSJZAVRJJIQ-ZDUSSCGKSA-N 0 1 246.310 2.930 20 10 BFCDMN COCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816484082 586736323 /nfs/dbraw/zinc/73/63/23/586736323.db2.gz PCXDZKWHNLEINF-UHFFFAOYSA-N 0 1 245.322 2.624 20 10 BFCDMN COCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816484082 586736324 /nfs/dbraw/zinc/73/63/24/586736324.db2.gz PCXDZKWHNLEINF-UHFFFAOYSA-N 0 1 245.322 2.624 20 10 BFCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC=CCC1 ZINC000816564730 586740318 /nfs/dbraw/zinc/74/03/18/586740318.db2.gz OKAREJHCISNUSG-UHFFFAOYSA-N 0 1 241.693 2.947 20 10 BFCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC23CC3)c(Cl)c1 ZINC000818231587 586881057 /nfs/dbraw/zinc/88/10/57/586881057.db2.gz YMHOSYLNDQBIGU-GFCCVEGCSA-N 0 1 237.730 2.996 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650119 587280890 /nfs/dbraw/zinc/28/08/90/587280890.db2.gz JBJCEMNPLXKISA-GFCCVEGCSA-N 0 1 221.275 2.516 20 10 BFCDMN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000824814427 587288585 /nfs/dbraw/zinc/28/85/85/587288585.db2.gz ABJVBDOPMLMWCB-IUODEOHRSA-N 0 1 249.354 2.557 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]C(C)C)cc1Cl ZINC000825084733 587303204 /nfs/dbraw/zinc/30/32/04/587303204.db2.gz QIRFTERVJGGDHH-UHFFFAOYSA-N 0 1 213.708 2.852 20 10 BFCDMN Cc1ccc(O)c(CNc2nccn2C2CC2)c1 ZINC000840886764 587927947 /nfs/dbraw/zinc/92/79/47/587927947.db2.gz BPJYARRJXLDOJZ-UHFFFAOYSA-N 0 1 243.310 2.844 20 10 BFCDMN C[C@@H]([NH2+]CCF)c1ccc(Cl)cc1[O-] ZINC000841751865 587973858 /nfs/dbraw/zinc/97/38/58/587973858.db2.gz KZZPZOVDCINVET-SSDOTTSWSA-N 0 1 217.671 2.666 20 10 BFCDMN Oc1ccccc1CNCc1cnc(C2CC2)o1 ZINC000862275048 589198669 /nfs/dbraw/zinc/19/86/69/589198669.db2.gz ZPBFJSCHFMKTRY-UHFFFAOYSA-N 0 1 244.294 2.547 20 10 BFCDMN [O-]c1c(C[N@H+]2CC[C@@H]2C2CC2)ccc(F)c1F ZINC000877562516 590359970 /nfs/dbraw/zinc/35/99/70/590359970.db2.gz VJSPBPISRRICIZ-LLVKDONJSA-N 0 1 239.265 2.655 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]C2CSC2)cc1Cl ZINC000877634443 590379866 /nfs/dbraw/zinc/37/98/66/590379866.db2.gz PBUQUHNPHIEPHZ-UHFFFAOYSA-N 0 1 243.759 2.559 20 10 BFCDMN CCOCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132761695 591736604 /nfs/dbraw/zinc/73/66/04/591736604.db2.gz HUHGNLROWKSYKV-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CCOCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132761695 591736606 /nfs/dbraw/zinc/73/66/06/591736606.db2.gz HUHGNLROWKSYKV-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN Cc1cc([O-])c(C[NH+]2CCCC2)c(Cl)c1 ZINC000840874351 632541482 /nfs/dbraw/zinc/54/14/82/632541482.db2.gz YOIOGOHNVBWBOF-UHFFFAOYSA-N 0 1 225.719 2.950 20 10 BFCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000163164975 636079785 /nfs/dbraw/zinc/07/97/85/636079785.db2.gz OIZYMBBMDCWDNS-NXEZZACHSA-N 0 1 223.291 2.762 20 10 BFCDMN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309595101 633961827 /nfs/dbraw/zinc/96/18/27/633961827.db2.gz VYWADPXDJBJXNT-RKDXNWHRSA-N 0 1 243.734 2.559 20 10 BFCDMN CN(Cc1ccc(F)nc1)Cc1ccccc1O ZINC000189303071 634178212 /nfs/dbraw/zinc/17/82/12/634178212.db2.gz ATAAXBOKEPVJLO-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN CCOC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000044689123 643547697 /nfs/dbraw/zinc/54/76/97/643547697.db2.gz MHUSSODCPOMDOC-VIFPVBQESA-N 0 1 243.734 2.560 20 10 BFCDMN Oc1cc2c(cc1CN1CC[C@H](F)C1)CCCC2 ZINC000840104961 644866079 /nfs/dbraw/zinc/86/60/79/644866079.db2.gz WGNYQCAHZIRSFC-AWEZNQCLSA-N 0 1 249.329 2.815 20 10 BFCDMN Cc1cc(N(C)C)ccc1CNCc1ccco1 ZINC000115629586 645668611 /nfs/dbraw/zinc/66/86/11/645668611.db2.gz LYDCHYRHLARXGI-UHFFFAOYSA-N 0 1 244.338 2.944 20 10 BFCDMN C[N@@H+](Cc1cc(F)ccc1O)C(C)(C)C ZINC000381938657 710759988 /nfs/dbraw/zinc/75/99/88/710759988.db2.gz UVBMFSQRPSXQEW-UHFFFAOYSA-N 0 1 211.280 2.762 20 10 BFCDMN C[C@@H](NCc1cccc(Cl)c1O)C(F)F ZINC000389952999 711100211 /nfs/dbraw/zinc/10/02/11/711100211.db2.gz UYPMYNYNKWLSOA-ZCFIWIBFSA-N 0 1 235.661 2.789 20 10 BFCDMN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(F)F ZINC000389952999 711100213 /nfs/dbraw/zinc/10/02/13/711100213.db2.gz UYPMYNYNKWLSOA-ZCFIWIBFSA-N 0 1 235.661 2.789 20 10 BFCDMN CC(C)[C@@H]1C[N@@H+](Cc2ccccc2O)CCCO1 ZINC000393448868 711159120 /nfs/dbraw/zinc/15/91/20/711159120.db2.gz VFKRBPKIKIOJFQ-HNNXBMFYSA-N 0 1 249.354 2.639 20 10 BFCDMN C/C=C\C[NH2+]Cc1c([O-])cccc1Cl ZINC000384991574 711002695 /nfs/dbraw/zinc/00/26/95/711002695.db2.gz KSEOQLQCQCBWSS-IHWYPQMZSA-N 0 1 211.692 2.711 20 10 BFCDMN Cc1ncc(CN[C@@H](C)c2ccc(C)cc2O)o1 ZINC000397918294 711396735 /nfs/dbraw/zinc/39/67/35/711396735.db2.gz LWKOATWZGULDAD-JTQLQIEISA-N 0 1 246.310 2.848 20 10 BFCDMN Cc1ncc(CN[C@H](C)c2ccccc2O)o1 ZINC000397927082 711396807 /nfs/dbraw/zinc/39/68/07/711396807.db2.gz BUOKKZBDIZUDPO-SECBINFHSA-N 0 1 232.283 2.539 20 10 BFCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000035733177 711703011 /nfs/dbraw/zinc/70/30/11/711703011.db2.gz DINFURIJAJATIZ-QMMMGPOBSA-N 0 1 225.719 2.934 20 10 BFCDMN CCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703449159 712076220 /nfs/dbraw/zinc/07/62/20/712076220.db2.gz ZNKXFAYYDKHZDA-UHFFFAOYSA-N 0 1 215.243 2.512 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000708403181 712192531 /nfs/dbraw/zinc/19/25/31/712192531.db2.gz ZIEOEXVYMHKICB-BDAKNGLRSA-N 0 1 241.281 2.901 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC12CC2 ZINC000715270541 712515043 /nfs/dbraw/zinc/51/50/43/712515043.db2.gz GSXUHOPKXGEECF-LLVKDONJSA-N 0 1 223.703 2.688 20 10 BFCDMN Cc1ccc(CN2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001140947991 960125398 /nfs/dbraw/zinc/12/53/98/960125398.db2.gz OODOAWIPNGUYFH-GFCCVEGCSA-N 0 1 247.338 2.502 20 10 BFCDMN Cc1ccc(O)c(CN2CCC(=O)C(C)(C)C2)c1 ZINC001140623579 960465319 /nfs/dbraw/zinc/46/53/19/960465319.db2.gz WSLSUNYWJPMWDZ-UHFFFAOYSA-N 0 1 247.338 2.502 20 10 BFCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C(C)(C)C ZINC001142521146 961472898 /nfs/dbraw/zinc/47/28/98/961472898.db2.gz ZNKKZQOYRMAMEP-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN CC(=O)CN(C)Cc1cccc(C(C)(C)C)c1O ZINC001143104496 961881604 /nfs/dbraw/zinc/88/16/04/961881604.db2.gz UCWJVTKPXHBDOL-UHFFFAOYSA-N 0 1 249.354 2.711 20 10 BFCDMN CSCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093509499 964161102 /nfs/dbraw/zinc/16/11/02/964161102.db2.gz CJIJACHKCNMZGG-UHFFFAOYSA-N 0 1 245.775 2.840 20 10 BFCDMN CSCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093509499 964161092 /nfs/dbraw/zinc/16/10/92/964161092.db2.gz CJIJACHKCNMZGG-UHFFFAOYSA-N 0 1 245.775 2.840 20 10 BFCDMN CC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734729 964936284 /nfs/dbraw/zinc/93/62/84/964936284.db2.gz MVRRUCODROLTNY-UHFFFAOYSA-N 0 1 244.132 2.606 20 10 BFCDMN CC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734729 964936288 /nfs/dbraw/zinc/93/62/88/964936288.db2.gz MVRRUCODROLTNY-UHFFFAOYSA-N 0 1 244.132 2.606 20 10 BFCDMN CCC[NH+](CCC)Cc1ccc(O)cc1[O-] ZINC001204272247 966954822 /nfs/dbraw/zinc/95/48/22/966954822.db2.gz KNSVGSFEKGFZCH-UHFFFAOYSA-N 0 1 223.316 2.720 20 10 BFCDMN Oc1cccc(Nc2ccc3nc[nH]c3c2)c1O ZINC001209846755 969658522 /nfs/dbraw/zinc/65/85/22/969658522.db2.gz JZMIXGCWLYGIIL-UHFFFAOYSA-N 0 1 241.250 2.718 20 10 BFCDMN CCc1cccc(CNCc2cc(C)no2)c1O ZINC000691455442 969960795 /nfs/dbraw/zinc/96/07/95/969960795.db2.gz SHHUCIIPUKRDNN-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN CCc1ccc(O)c(Nc2ccncc2)c1 ZINC001173883893 975956735 /nfs/dbraw/zinc/95/67/35/975956735.db2.gz ZNBITYFNDVAETK-UHFFFAOYSA-N 0 1 214.268 2.515 20 10 BFCDMN Cc1cc(C)c(CN2CCC(=O)C[C@H]2C)c(O)c1 ZINC001231841899 977757003 /nfs/dbraw/zinc/75/70/03/977757003.db2.gz GFPBKNOYPMIUPQ-GFCCVEGCSA-N 0 1 247.338 2.562 20 10 BFCDMN [O-]c1c(C[NH+]2CC=CC2)ccc2ccccc21 ZINC001231879544 977783696 /nfs/dbraw/zinc/78/36/96/977783696.db2.gz HWDYKMOLTIIHJL-UHFFFAOYSA-N 0 1 225.291 2.917 20 10 BFCDMN [O-]c1c(C[NH+]2CCC2)ccc2ccccc21 ZINC001231878714 977785960 /nfs/dbraw/zinc/78/59/60/977785960.db2.gz QYMGOUQJJLAXMD-UHFFFAOYSA-N 0 1 213.280 2.751 20 10 BFCDMN CCC[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233331971 978560183 /nfs/dbraw/zinc/56/01/83/978560183.db2.gz SDOAUBMQSZKHFV-UHFFFAOYSA-N 0 1 215.243 2.512 20 10 BFCDMN CC[N@@H+](Cc1c([O-])ccc(F)c1F)C(C)C ZINC001233331543 978562218 /nfs/dbraw/zinc/56/22/18/978562218.db2.gz AMLBRQVRPUOSBW-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233331983 978563308 /nfs/dbraw/zinc/56/33/08/978563308.db2.gz SKTMKZCYMQMSTH-MRVPVSSYSA-N 0 1 227.254 2.655 20 10 BFCDMN CCc1ccc(CN(C)Cc2ccno2)c(O)c1 ZINC001236788372 979729155 /nfs/dbraw/zinc/72/91/55/979729155.db2.gz MNZZXKKLIZBFQP-UHFFFAOYSA-N 0 1 246.310 2.575 20 10 BFCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)C1CC1 ZINC001237119201 979821315 /nfs/dbraw/zinc/82/13/15/979821315.db2.gz BUABLDXAUYUOBQ-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CC1 ZINC001237119201 979821316 /nfs/dbraw/zinc/82/13/16/979821316.db2.gz BUABLDXAUYUOBQ-UHFFFAOYSA-N 0 1 229.682 2.779 20 10 BFCDMN Cc1ccc(-c2nccc3c2ccn3C)cn1 ZINC001240220296 981173557 /nfs/dbraw/zinc/17/35/57/981173557.db2.gz DNYLBNCZOZPWJX-UHFFFAOYSA-N 0 1 223.279 2.944 20 10 BFCDMN Cc1cc(N)ncc1-c1nccc2c1ccn2C ZINC001242070522 983304543 /nfs/dbraw/zinc/30/45/43/983304543.db2.gz AHDBAVOISJHDEO-UHFFFAOYSA-N 0 1 238.294 2.526 20 10 BFCDMN CCc1cccc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000692108839 985410545 /nfs/dbraw/zinc/41/05/45/985410545.db2.gz KPTRJUUPZYHWMH-NWDGAFQWSA-N 0 1 249.354 2.564 20 10 BFCDMN CCc1cccc(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC000692115518 985414058 /nfs/dbraw/zinc/41/40/58/985414058.db2.gz NJFPTQSGJRBGED-VXGBXAGGSA-N 0 1 249.354 2.564 20 10 BFCDMN Cc1cc(-c2nccc3c2ccn3C)cnc1N ZINC001245535932 986915136 /nfs/dbraw/zinc/91/51/36/986915136.db2.gz IGXDQKQAAMUBRO-UHFFFAOYSA-N 0 1 238.294 2.526 20 10 BFCDMN CC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137833229 990855861 /nfs/dbraw/zinc/85/58/61/990855861.db2.gz XSIDRDBEKDQVNA-SECBINFHSA-N 0 1 211.280 2.762 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001308789467 991134359 /nfs/dbraw/zinc/13/43/59/991134359.db2.gz BLKWPQXZKRPZGB-YUMQZZPRSA-N 0 1 227.254 2.511 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001139688073 991319810 /nfs/dbraw/zinc/31/98/10/991319810.db2.gz YGVOSFGOLFKBAF-QPUJVOFHSA-N 0 1 239.265 2.655 20 10 BFCDMN Cc1cc([O-])c(C[NH2+][C@H]2CC23CC3)cc1Cl ZINC001261677063 992459098 /nfs/dbraw/zinc/45/90/98/992459098.db2.gz DYEXQNNLVHIWES-LBPRGKRZSA-N 0 1 237.730 2.996 20 10 BFCDMN CO[C@@H](C)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000289969686 188210463 /nfs/dbraw/zinc/21/04/63/188210463.db2.gz ZIPTWDSQJKAEBW-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN CO[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000289969686 188210465 /nfs/dbraw/zinc/21/04/65/188210465.db2.gz ZIPTWDSQJKAEBW-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCSC1 ZINC000230704810 363321129 /nfs/dbraw/zinc/32/11/29/363321129.db2.gz QVLHABBRBWKRHP-MRVPVSSYSA-N 0 1 243.759 2.641 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CC1 ZINC000019884920 183273943 /nfs/dbraw/zinc/27/39/43/183273943.db2.gz JNIIMFLQVRLTQI-UHFFFAOYSA-N 0 1 211.692 2.545 20 10 BFCDMN Oc1cccc2c1[C@H](NCc1nccs1)CC2 ZINC000296186225 183298276 /nfs/dbraw/zinc/29/82/76/183298276.db2.gz YGVNJBNCPGDYBB-SNVBAGLBSA-N 0 1 246.335 2.626 20 10 BFCDMN Cc1ccc(O)c(C[N@@H+](C)CCC2CC2)c1 ZINC000092067204 384161870 /nfs/dbraw/zinc/16/18/70/384161870.db2.gz XYCTUDTZRWQDKI-UHFFFAOYSA-N 0 1 219.328 2.933 20 10 BFCDMN CO[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000289545238 386326454 /nfs/dbraw/zinc/32/64/54/386326454.db2.gz IGIMSKCFQWLNOK-SECBINFHSA-N 0 1 243.734 2.512 20 10 BFCDMN CC(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551187 167008491 /nfs/dbraw/zinc/00/84/91/167008491.db2.gz WFNBPNSVTIZTLW-UHFFFAOYSA-N 0 1 213.708 2.791 20 10 BFCDMN CC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000226614021 168042683 /nfs/dbraw/zinc/04/26/83/168042683.db2.gz NUMGDVRSYOLFMT-UHFFFAOYSA-N 0 1 223.291 2.811 20 10 BFCDMN COCCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132721007 174219002 /nfs/dbraw/zinc/21/90/02/174219002.db2.gz DXNQZNCWMZHFFG-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN COCCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132721007 174219005 /nfs/dbraw/zinc/21/90/05/174219005.db2.gz DXNQZNCWMZHFFG-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607847 176150544 /nfs/dbraw/zinc/15/05/44/176150544.db2.gz MQTHBUXELQIUTR-BXKDBHETSA-N 0 1 223.291 2.810 20 10 BFCDMN CC1=CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894034349 583278613 /nfs/dbraw/zinc/27/86/13/583278613.db2.gz RQWHWZKCHFQWMS-UHFFFAOYSA-N 0 1 239.265 2.822 20 10 BFCDMN CC(C)Oc1ccc(N(C)Cc2cnc[nH]2)cc1 ZINC000894568333 583485311 /nfs/dbraw/zinc/48/53/11/583485311.db2.gz ZZKKRFFPDXGNHV-UHFFFAOYSA-N 0 1 245.326 2.833 20 10 BFCDMN Oc1c(Cl)cccc1CN1CC[C@H]1C(F)F ZINC000895430648 583669474 /nfs/dbraw/zinc/66/94/74/583669474.db2.gz GWCDYDJVRDDQRT-VIFPVBQESA-N 0 1 247.672 2.885 20 10 BFCDMN Oc1c(Cl)cccc1CN1CC[C@@H]1C(F)F ZINC000895430647 583669816 /nfs/dbraw/zinc/66/98/16/583669816.db2.gz GWCDYDJVRDDQRT-SECBINFHSA-N 0 1 247.672 2.885 20 10 BFCDMN CC[C@@H](NCc1ccon1)c1ccccc1O ZINC000148731466 584035277 /nfs/dbraw/zinc/03/52/77/584035277.db2.gz AQGQBGHDVQSRDN-GFCCVEGCSA-N 0 1 232.283 2.621 20 10 BFCDMN Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1C ZINC000839191668 585097453 /nfs/dbraw/zinc/09/74/53/585097453.db2.gz JFXDUPXXKOYRNH-STQMWFEESA-N 0 1 249.379 2.699 20 10 BFCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C1CCC1 ZINC000742173859 585122674 /nfs/dbraw/zinc/12/26/74/585122674.db2.gz YWPRICJHBBJNQJ-UHFFFAOYSA-N 0 1 242.322 2.925 20 10 BFCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CCC1 ZINC000742173859 585122675 /nfs/dbraw/zinc/12/26/75/585122675.db2.gz YWPRICJHBBJNQJ-UHFFFAOYSA-N 0 1 242.322 2.925 20 10 BFCDMN Cc1ccc([C@@H](C)NCc2ccon2)c(O)c1C ZINC000756637035 585321786 /nfs/dbraw/zinc/32/17/86/585321786.db2.gz LERCIFNYMLCPKB-LLVKDONJSA-N 0 1 246.310 2.848 20 10 BFCDMN COc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000768138491 585532817 /nfs/dbraw/zinc/53/28/17/585532817.db2.gz XMONGHMVSRQOSG-TXEJJXNPSA-N 0 1 249.354 2.879 20 10 BFCDMN COc1cccc(O)c1C[N@@H+](C)[C@@H](C)C(C)C ZINC000768270400 585534951 /nfs/dbraw/zinc/53/49/51/585534951.db2.gz ZQLVJKLOZQONFE-NSHDSACASA-N 0 1 237.343 2.877 20 10 BFCDMN CC[N@@H+](Cc1ccccc1O)C1CCC1 ZINC000770510715 585575325 /nfs/dbraw/zinc/57/53/25/585575325.db2.gz QGRIDAFDICNMRS-UHFFFAOYSA-N 0 1 205.301 2.767 20 10 BFCDMN CN(Cc1cccn1C)Cc1cc(F)ccc1O ZINC000779018166 585743945 /nfs/dbraw/zinc/74/39/45/585743945.db2.gz DWUWAGGYEZIQSI-UHFFFAOYSA-N 0 1 248.301 2.502 20 10 BFCDMN C[N@@H+](CCOCC1CCC1)Cc1ccccc1O ZINC000779029334 585744387 /nfs/dbraw/zinc/74/43/87/585744387.db2.gz PDWXPMXQDJMMEG-UHFFFAOYSA-N 0 1 249.354 2.641 20 10 BFCDMN Cc1ccc(O)c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227733 586014728 /nfs/dbraw/zinc/01/47/28/586014728.db2.gz HBDPWSLUGSLMEL-PHIMTYICSA-N 0 1 205.301 2.683 20 10 BFCDMN Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793228107 586014837 /nfs/dbraw/zinc/01/48/37/586014837.db2.gz JSAFFBYYYYHOOK-PHIMTYICSA-N 0 1 205.301 2.683 20 10 BFCDMN Cc1cc(C)c([C@H](C)NCc2cocn2)c(O)c1 ZINC000815605770 586688785 /nfs/dbraw/zinc/68/87/85/586688785.db2.gz DVTQPJZWEGXANF-NSHDSACASA-N 0 1 246.310 2.848 20 10 BFCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000816647072 586748516 /nfs/dbraw/zinc/74/85/16/586748516.db2.gz NDMKCHJIBPVLNC-IUCAKERBSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1C ZINC000816647072 586748517 /nfs/dbraw/zinc/74/85/17/586748517.db2.gz NDMKCHJIBPVLNC-IUCAKERBSA-N 0 1 225.719 2.886 20 10 BFCDMN CCc1ncc(CN[C@H](C)c2ccccc2O)o1 ZINC000834898316 587769657 /nfs/dbraw/zinc/76/96/57/587769657.db2.gz CCPJADYYWPNFAW-SNVBAGLBSA-N 0 1 246.310 2.793 20 10 BFCDMN Cc1cc([O-])c(C[NH2+]C2CC2)c(Cl)c1 ZINC000840874302 587927000 /nfs/dbraw/zinc/92/70/00/587927000.db2.gz YYWJOFZPYVKMDT-UHFFFAOYSA-N 0 1 211.692 2.606 20 10 BFCDMN C[C@@H](N[C@H](C)c1ccccc1O)c1nccn1C ZINC000850572173 588561126 /nfs/dbraw/zinc/56/11/26/588561126.db2.gz HKRDMJYTCCZKSR-GHMZBOCLSA-N 0 1 245.326 2.538 20 10 BFCDMN Oc1ccccc1CNCc1cc(C2CC2)no1 ZINC000876995491 590267109 /nfs/dbraw/zinc/26/71/09/590267109.db2.gz DLQJMOGJVGTQEV-UHFFFAOYSA-N 0 1 244.294 2.547 20 10 BFCDMN Cc1cnc(CNCc2c(C)cccc2O)s1 ZINC000877043791 590273903 /nfs/dbraw/zinc/27/39/03/590273903.db2.gz NYHROWXREKPGMK-UHFFFAOYSA-N 0 1 248.351 2.755 20 10 BFCDMN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877565849 590361226 /nfs/dbraw/zinc/36/12/26/590361226.db2.gz RZCODHYVKLFCET-WFASDCNBSA-N 0 1 249.354 2.557 20 10 BFCDMN CCC[C@@H](C[N@H+]1Cc2cccc(O)c2C1)OC ZINC000877702899 590396105 /nfs/dbraw/zinc/39/61/05/590396105.db2.gz JHDPVRZFTJWJNN-LBPRGKRZSA-N 0 1 235.327 2.523 20 10 BFCDMN Cc1cccc(O)c1CN1CC(OC(C)(C)C)C1 ZINC000877770707 590422432 /nfs/dbraw/zinc/42/24/32/590422432.db2.gz XFCHLXVDDPNORE-UHFFFAOYSA-N 0 1 249.354 2.700 20 10 BFCDMN CC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000877976700 590464483 /nfs/dbraw/zinc/46/44/83/590464483.db2.gz IPNJZBITUBLPDD-UHFFFAOYSA-N 0 1 248.370 2.552 20 10 BFCDMN CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000133304698 591785694 /nfs/dbraw/zinc/78/56/94/591785694.db2.gz CMJUFJCJFBEJBS-UHFFFAOYSA-N 0 1 236.334 2.876 20 10 BFCDMN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309595098 633962284 /nfs/dbraw/zinc/96/22/84/633962284.db2.gz VYWADPXDJBJXNT-BDAKNGLRSA-N 0 1 243.734 2.559 20 10 BFCDMN Cc1cccc(CN(C)Cc2ccns2)c1O ZINC000895453192 636145018 /nfs/dbraw/zinc/14/50/18/636145018.db2.gz FDVUZCYPGUXRJI-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN CC[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000912855097 640226496 /nfs/dbraw/zinc/22/64/96/640226496.db2.gz RACJFBVJMZSVNF-UHFFFAOYSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000912855097 640226503 /nfs/dbraw/zinc/22/65/03/640226503.db2.gz RACJFBVJMZSVNF-UHFFFAOYSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000912855097 640226509 /nfs/dbraw/zinc/22/65/09/640226509.db2.gz RACJFBVJMZSVNF-UHFFFAOYSA-N 0 1 242.322 2.925 20 10 BFCDMN Cc1cc(CN[C@@H](C)c2ccccc2O)on1 ZINC000044985877 640479768 /nfs/dbraw/zinc/47/97/68/640479768.db2.gz VOCMNOMCPZVZTM-JTQLQIEISA-N 0 1 232.283 2.539 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000230704971 641083646 /nfs/dbraw/zinc/08/36/46/641083646.db2.gz XEDYTUIWECALAY-SNVBAGLBSA-N 0 1 243.759 2.641 20 10 BFCDMN CCc1cnc(CNCc2ccccc2O)s1 ZINC000230706888 641084562 /nfs/dbraw/zinc/08/45/62/641084562.db2.gz WWDLHOHVYPFTNQ-UHFFFAOYSA-N 0 1 248.351 2.701 20 10 BFCDMN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000189117087 641788317 /nfs/dbraw/zinc/78/83/17/641788317.db2.gz VYWADPXDJBJXNT-IUCAKERBSA-N 0 1 243.734 2.559 20 10 BFCDMN CN1CCC[C@@H]1CSc1ncc(Cl)s1 ZINC000918096584 642168708 /nfs/dbraw/zinc/16/87/08/642168708.db2.gz WCEVWBMCXMSCNW-SSDOTTSWSA-N 0 1 248.804 2.983 20 10 BFCDMN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000074068106 644168815 /nfs/dbraw/zinc/16/88/15/644168815.db2.gz QHXYDLMCKXRTIP-CQSZACIVSA-N 0 1 249.354 2.620 20 10 BFCDMN C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708397331 712192880 /nfs/dbraw/zinc/19/28/80/712192880.db2.gz BJCWANUWJZFENW-MRVPVSSYSA-N 0 1 227.254 2.655 20 10 BFCDMN C[C@H](NCc1cccc(Cl)c1O)C(F)F ZINC000389952998 711100039 /nfs/dbraw/zinc/10/00/39/711100039.db2.gz UYPMYNYNKWLSOA-LURJTMIESA-N 0 1 235.661 2.789 20 10 BFCDMN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(F)F ZINC000389952998 711100041 /nfs/dbraw/zinc/10/00/41/711100041.db2.gz UYPMYNYNKWLSOA-LURJTMIESA-N 0 1 235.661 2.789 20 10 BFCDMN COc1ccc(CNCc2conc2C)cc1C ZINC000397910677 711397190 /nfs/dbraw/zinc/39/71/90/711397190.db2.gz ZLFLUVLLGIVMHM-UHFFFAOYSA-N 0 1 246.310 2.590 20 10 BFCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703483448 712076410 /nfs/dbraw/zinc/07/64/10/712076410.db2.gz RBTVFWADDCHXQX-IUCAKERBSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703483451 712076563 /nfs/dbraw/zinc/07/65/63/712076563.db2.gz RBTVFWADDCHXQX-RKDXNWHRSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703483446 712076669 /nfs/dbraw/zinc/07/66/69/712076669.db2.gz RBTVFWADDCHXQX-DTWKUNHWSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402883 712192851 /nfs/dbraw/zinc/19/28/51/712192851.db2.gz XHOUNLIXZGTIDO-BDAKNGLRSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708415281 712193758 /nfs/dbraw/zinc/19/37/58/712193758.db2.gz WFXNPJXGSYYSRX-SECBINFHSA-N 0 1 241.281 2.902 20 10 BFCDMN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000379770593 712397855 /nfs/dbraw/zinc/39/78/55/712397855.db2.gz ACFXPYYWZIQDBG-LDYMZIIASA-N 0 1 225.719 2.934 20 10 BFCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CC=CC1 ZINC001233452457 978607031 /nfs/dbraw/zinc/60/70/31/978607031.db2.gz XIPSSCLDTKGFBR-UHFFFAOYSA-N 0 1 243.228 2.783 20 10 BFCDMN COc1cc([O-])c(C[N@H+](C)C2CC2)c(Cl)c1 ZINC001236799631 979740775 /nfs/dbraw/zinc/74/07/75/979740775.db2.gz TYKQTRJRXXNFSW-UHFFFAOYSA-N 0 1 241.718 2.648 20 10 BFCDMN COc1cc([O-])c(C[N@@H+](C)C2CC2)c(Cl)c1 ZINC001236799631 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712305470 /nfs/dbraw/zinc/30/54/70/712305470.db2.gz SKOGAOLANNUQCJ-SNVBAGLBSA-N 0 1 241.281 2.713 20 10 BFCDMN COc1cc([O-])c(C[NH+]2CCCC2)cc1Cl ZINC001232264633 977988317 /nfs/dbraw/zinc/98/83/17/977988317.db2.gz KLTOXBAIGQGHGL-UHFFFAOYSA-N 0 1 241.718 2.650 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(F)CC1 ZINC000689909673 979064484 /nfs/dbraw/zinc/06/44/84/979064484.db2.gz ROVHOOPNWGCFKK-UHFFFAOYSA-N 0 1 243.709 2.980 20 10 BFCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237933753 980114406 /nfs/dbraw/zinc/11/44/06/980114406.db2.gz GMDSOBOABMHBPX-OCAPTIKFSA-N 0 1 241.693 2.636 20 10 BFCDMN CCN(Cc1ocnc1C)Cc1ccccc1O ZINC001141053743 960847525 /nfs/dbraw/zinc/84/75/25/960847525.db2.gz OIMBJHDWUDGSQK-UHFFFAOYSA-N 0 1 246.310 2.711 20 10 BFCDMN CC(C)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142502764 961456479 /nfs/dbraw/zinc/45/64/79/961456479.db2.gz XGUWAPKZCMTBSJ-UHFFFAOYSA-N 0 1 215.243 2.511 20 10 BFCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001142531302 961478809 /nfs/dbraw/zinc/47/88/09/961478809.db2.gz SRSPYQXRNRBJAD-QPUJVOFHSA-N 0 1 239.265 2.655 20 10 BFCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1F ZINC001203930595 966826280 /nfs/dbraw/zinc/82/62/80/966826280.db2.gz ZSIKEQLYALHARU-RISCZKNCSA-N 0 1 236.334 2.542 20 10 BFCDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N(C)C)cc1 ZINC001203930498 966826300 /nfs/dbraw/zinc/82/63/00/966826300.db2.gz VUVQMMUXPCFNMF-DGCLKSJQSA-N 0 1 236.334 2.685 20 10 BFCDMN C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1C ZINC001204276055 966952148 /nfs/dbraw/zinc/95/21/48/966952148.db2.gz FDLRQZUTVIWYKI-NWDGAFQWSA-N 0 1 249.354 2.966 20 10 BFCDMN C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1C ZINC001204276055 966952157 /nfs/dbraw/zinc/95/21/57/966952157.db2.gz FDLRQZUTVIWYKI-NWDGAFQWSA-N 0 1 249.354 2.966 20 10 BFCDMN CC[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CC1 ZINC001204924475 967234181 /nfs/dbraw/zinc/23/41/81/967234181.db2.gz VWFWHJXTTFLTSN-UHFFFAOYSA-N 0 1 241.281 2.902 20 10 BFCDMN CCN(Cc1cnsc1)Cc1ccccc1O ZINC001232229122 977960380 /nfs/dbraw/zinc/96/03/80/977960380.db2.gz DPMAZPZRFULBOF-UHFFFAOYSA-N 0 1 248.351 2.871 20 10 BFCDMN CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C(C)C ZINC001232259107 977978661 /nfs/dbraw/zinc/97/86/61/977978661.db2.gz SJHINIPKLDSEKF-UHFFFAOYSA-N 0 1 243.734 2.982 20 10 BFCDMN CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C(C)C ZINC001232259107 977978671 /nfs/dbraw/zinc/97/86/71/977978671.db2.gz SJHINIPKLDSEKF-UHFFFAOYSA-N 0 1 243.734 2.982 20 10 BFCDMN [O-]c1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)ccc(F)c1F ZINC001233078859 978463296 /nfs/dbraw/zinc/46/32/96/978463296.db2.gz MCLCHGSTYMYZMZ-KCJUWKMLSA-N 0 1 239.265 2.655 20 10 BFCDMN COc1cc(Cl)cc(CN2CC[C@@H]2C)c1O ZINC001233288153 978536877 /nfs/dbraw/zinc/53/68/77/978536877.db2.gz ZKHYCVBTTVSJCW-QMMMGPOBSA-N 0 1 241.718 2.648 20 10 BFCDMN Oc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001204276994 978928640 /nfs/dbraw/zinc/92/86/40/978928640.db2.gz VDUBMMRYMXDINA-VXGBXAGGSA-N 0 1 247.338 2.720 20 10 BFCDMN COc1ccc(C[N@H+]2CC[C@H]2C)c([O-])c1Cl ZINC001236801165 979739321 /nfs/dbraw/zinc/73/93/21/979739321.db2.gz GLRDHCXHLHHIND-MRVPVSSYSA-N 0 1 241.718 2.648 20 10 BFCDMN CCCCOC1CN(Cc2c(C)cccc2O)C1 ZINC001237489016 979917197 /nfs/dbraw/zinc/91/71/97/979917197.db2.gz CCDMBKQUSLOWMU-UHFFFAOYSA-N 0 1 249.354 2.702 20 10 BFCDMN C[C@@H](NCc1ccc(N)cc1)c1cncs1 ZINC001352789370 982574798 /nfs/dbraw/zinc/57/47/98/982574798.db2.gz JWLQIRSFZVTROF-SECBINFHSA-N 0 1 233.340 2.576 20 10 BFCDMN CC(C)[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139684742 987402345 /nfs/dbraw/zinc/40/23/45/987402345.db2.gz LCJYXHZXHAXZLW-UHFFFAOYSA-N 0 1 215.243 2.511 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137831808 990856372 /nfs/dbraw/zinc/85/63/72/990856372.db2.gz OIMLPSWENWXISM-VIFPVBQESA-N 0 1 209.264 2.516 20 10 BFCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1CC(F)(F)C1 ZINC001138122745 990883332 /nfs/dbraw/zinc/88/33/32/990883332.db2.gz ZTXJSYYCNONPPX-UHFFFAOYSA-N 0 1 245.244 2.761 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001138122376 990883717 /nfs/dbraw/zinc/88/37/17/990883717.db2.gz AIVPHHHRHGAFFN-NSHDSACASA-N 0 1 241.281 2.855 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001138129648 990887488 /nfs/dbraw/zinc/88/74/88/990887488.db2.gz PAEMONVSHTXHIT-SKDRFNHKSA-N 0 1 221.275 2.516 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685569 991320259 /nfs/dbraw/zinc/32/02/59/991320259.db2.gz OHUFZEQFVDWVKS-MRVPVSSYSA-N 0 1 227.254 2.512 20 10 BFCDMN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685670 991321420 /nfs/dbraw/zinc/32/14/20/991321420.db2.gz SFJIEANIYFHPIA-SFYZADRCSA-N 0 1 245.244 2.603 20 10 BFCDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685670 991321430 /nfs/dbraw/zinc/32/14/30/991321430.db2.gz SFJIEANIYFHPIA-SFYZADRCSA-N 0 1 245.244 2.603 20 10 BFCDMN Oc1ccc(F)cc1CN1CCCC[C@H](F)C1 ZINC001140058441 991510534 /nfs/dbraw/zinc/51/05/34/991510534.db2.gz ZBOLDVTWTCGPPT-LBPRGKRZSA-N 0 1 241.281 2.855 20 10 BFCDMN C[C@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140338023 991611881 /nfs/dbraw/zinc/61/18/81/991611881.db2.gz RPGPPRXPPHLQIM-QMMMGPOBSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@H]1CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140338023 991611879 /nfs/dbraw/zinc/61/18/79/991611879.db2.gz RPGPPRXPPHLQIM-QMMMGPOBSA-N 0 1 211.692 2.640 20 10 BFCDMN C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463240 991643703 /nfs/dbraw/zinc/64/37/03/991643703.db2.gz XGLLGOMDBPJGKY-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463240 991643704 /nfs/dbraw/zinc/64/37/04/991643704.db2.gz XGLLGOMDBPJGKY-VIFPVBQESA-N 0 1 225.719 2.887 20 10 BFCDMN Oc1ccc(F)cc1C[N@H+]1CC2CCC1CC2 ZINC000383703310 993514593 /nfs/dbraw/zinc/51/45/93/993514593.db2.gz SLICLQWEBQDIKY-UHFFFAOYSA-N 0 1 235.302 2.906 20 10 BFCDMN CC[N@H+](Cc1cccc(C)c1O)C[C@H]1CCCO1 ZINC000124567311 345047443 /nfs/dbraw/zinc/04/74/43/345047443.db2.gz GTQDAQBMOARRHJ-CQSZACIVSA-N 0 1 249.354 2.702 20 10 BFCDMN CC[N@H+](Cc1cccc(F)c1[O-])CC1CC1 ZINC000272334935 351469742 /nfs/dbraw/zinc/46/97/42/351469742.db2.gz XEAHQYZHDSPEKY-UHFFFAOYSA-N 0 1 223.291 2.763 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000361055701 188070103 /nfs/dbraw/zinc/07/01/03/188070103.db2.gz WXJHKESCIHVXEC-LLVKDONJSA-N 0 1 235.302 2.763 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCSC1 ZINC000230704813 353519174 /nfs/dbraw/zinc/51/91/74/353519174.db2.gz QVLHABBRBWKRHP-QMMMGPOBSA-N 0 1 243.759 2.641 20 10 BFCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2C)c1O ZINC000132447107 384229857 /nfs/dbraw/zinc/22/98/57/384229857.db2.gz VSDCHQICGDYRLS-LLVKDONJSA-N 0 1 235.327 2.775 20 10 BFCDMN CC[N@@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC000162809972 384690432 /nfs/dbraw/zinc/69/04/32/384690432.db2.gz MMRJHGNWULDVIV-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CS[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000128069781 384989857 /nfs/dbraw/zinc/98/98/57/384989857.db2.gz JYPPNMDYYWRBTI-QMMMGPOBSA-N 0 1 245.775 2.887 20 10 BFCDMN C[C@H]([NH2+]CCF)c1cc(Cl)ccc1[O-] ZINC000280886849 385380213 /nfs/dbraw/zinc/38/02/13/385380213.db2.gz BFKYTPRIUYZQSH-ZETCQYMHSA-N 0 1 217.671 2.666 20 10 BFCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272345011 385895790 /nfs/dbraw/zinc/89/57/90/385895790.db2.gz ZKLTWAKJYXRKBF-SECBINFHSA-N 0 1 223.291 2.762 20 10 BFCDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000295948716 386110743 /nfs/dbraw/zinc/11/07/43/386110743.db2.gz GYJPTWMAYWIGGY-CYBMUJFWSA-N 0 1 241.281 2.855 20 10 BFCDMN CO[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000289545241 386327300 /nfs/dbraw/zinc/32/73/00/386327300.db2.gz IGIMSKCFQWLNOK-VIFPVBQESA-N 0 1 243.734 2.512 20 10 BFCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1CCSC1 ZINC000278368861 386518268 /nfs/dbraw/zinc/51/82/68/386518268.db2.gz BPNYWJJCNVAIQH-NSHDSACASA-N 0 1 237.368 2.577 20 10 BFCDMN CC(C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132485965 388360744 /nfs/dbraw/zinc/36/07/44/388360744.db2.gz BATSGDNYSBBQFU-UHFFFAOYSA-N 0 1 213.708 2.886 20 10 BFCDMN CC(C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132485965 388360747 /nfs/dbraw/zinc/36/07/47/388360747.db2.gz BATSGDNYSBBQFU-UHFFFAOYSA-N 0 1 213.708 2.886 20 10 BFCDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC000272534279 389032591 /nfs/dbraw/zinc/03/25/91/389032591.db2.gz ZXZOYVNTKIUZEZ-ZJUUUORDSA-N 0 1 223.291 2.762 20 10 BFCDMN CC1=CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000281805211 168100079 /nfs/dbraw/zinc/10/00/79/168100079.db2.gz NBQDWKKRPGQEDV-UHFFFAOYSA-N 0 1 221.275 2.683 20 10 BFCDMN C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165409394 176074137 /nfs/dbraw/zinc/07/41/37/176074137.db2.gz QMAQVKACOZPRGK-SNVBAGLBSA-N 0 1 223.291 2.906 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894862457 583536746 /nfs/dbraw/zinc/53/67/46/583536746.db2.gz YUIKOGASBYUDDJ-HTQZYQBOSA-N 0 1 227.254 2.511 20 10 BFCDMN C[N@@H+](CCCF)Cc1c([O-])ccc(Cl)c1F ZINC000895895689 583743844 /nfs/dbraw/zinc/74/38/44/583743844.db2.gz CKLPSVVZHKQRBY-UHFFFAOYSA-N 0 1 249.688 2.976 20 10 BFCDMN C/C=C\CNCc1cc(F)c(N(C)C)cc1F ZINC000858290490 588942446 /nfs/dbraw/zinc/94/24/46/588942446.db2.gz FKSAGEIELZECMR-PLNGDYQASA-N 0 1 240.297 2.697 20 10 BFCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000768138461 585532759 /nfs/dbraw/zinc/53/27/59/585532759.db2.gz LMGPELDHXITTEZ-LLVKDONJSA-N 0 1 235.327 2.633 20 10 BFCDMN CC[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC ZINC000769011623 585547344 /nfs/dbraw/zinc/54/73/44/585547344.db2.gz YYYKJFDCZHAAER-LLVKDONJSA-N 0 1 235.327 2.775 20 10 BFCDMN CC[C@H](NCc1cc[nH]n1)c1ccc(C)cc1O ZINC000794808493 586049310 /nfs/dbraw/zinc/04/93/10/586049310.db2.gz ODSKGYVXRGGYGV-ZDUSSCGKSA-N 0 1 245.326 2.665 20 10 BFCDMN CC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483828 586735653 /nfs/dbraw/zinc/73/56/53/586735653.db2.gz GRDZAPAKOLVVLB-UHFFFAOYSA-N 0 1 217.671 2.636 20 10 BFCDMN CSCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529376 586738639 /nfs/dbraw/zinc/73/86/39/586738639.db2.gz QIRVOIQOVNZDGO-UHFFFAOYSA-N 0 1 247.363 2.998 20 10 BFCDMN CO[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816587246 586742722 /nfs/dbraw/zinc/74/27/22/586742722.db2.gz GXXVBRCPBHPKTB-LLVKDONJSA-N 0 1 245.322 2.670 20 10 BFCDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000816648221 586750137 /nfs/dbraw/zinc/75/01/37/586750137.db2.gz GYGXBQWSSWFIKW-DTWKUNHWSA-N 0 1 225.719 2.886 20 10 BFCDMN Oc1ccc(Cl)cc1CN1CC2(CC2)C1 ZINC000824533747 587274261 /nfs/dbraw/zinc/27/42/61/587274261.db2.gz MJXWTILQUMHRIJ-UHFFFAOYSA-N 0 1 223.703 2.641 20 10 BFCDMN Cc1cc([O-])c(C[N@@H+](C)C2CC2)cc1Cl ZINC000824561166 587276467 /nfs/dbraw/zinc/27/64/67/587276467.db2.gz RDYKGPHUNDNNSS-UHFFFAOYSA-N 0 1 225.719 2.948 20 10 BFCDMN Cc1cc([O-])c(C[N@H+](C)C2CC2)cc1Cl ZINC000824561166 587276468 /nfs/dbraw/zinc/27/64/68/587276468.db2.gz RDYKGPHUNDNNSS-UHFFFAOYSA-N 0 1 225.719 2.948 20 10 BFCDMN Oc1ccc(Cl)c(F)c1CN1CC[C@@H](F)C1 ZINC000824571949 587277128 /nfs/dbraw/zinc/27/71/28/587277128.db2.gz SNQCVDHWXDPWSS-SSDOTTSWSA-N 0 1 247.672 2.729 20 10 BFCDMN CO[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000824815168 587288545 /nfs/dbraw/zinc/28/85/45/587288545.db2.gz JEUWKHOSZHLDQB-JSGCOSHPSA-N 0 1 249.354 2.557 20 10 BFCDMN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000824814408 587288864 /nfs/dbraw/zinc/28/88/64/587288864.db2.gz ABJVBDOPMLMWCB-DOMZBBRYSA-N 0 1 249.354 2.557 20 10 BFCDMN CCC1C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000835074728 587780180 /nfs/dbraw/zinc/78/01/80/587780180.db2.gz LXVJXNNLZALNCA-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1O ZINC000874090347 590090525 /nfs/dbraw/zinc/09/05/25/590090525.db2.gz BZNNRVXGWFJPSD-NSHDSACASA-N 0 1 249.354 2.940 20 10 BFCDMN CCC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876749176 590237454 /nfs/dbraw/zinc/23/74/54/590237454.db2.gz IWASFISBPXICQD-CQSZACIVSA-N 0 1 249.354 2.702 20 10 BFCDMN Cc1cccc(O)c1C[N@@H+]1CC[C@@H]1C(C)C ZINC000876878945 590252193 /nfs/dbraw/zinc/25/21/93/590252193.db2.gz LCKAWHPRUUZMPE-CYBMUJFWSA-N 0 1 219.328 2.931 20 10 BFCDMN CCc1cc(CNCc2c(C)cccc2O)on1 ZINC000876875475 590252326 /nfs/dbraw/zinc/25/23/26/590252326.db2.gz WLBNFKVYWTYCEN-UHFFFAOYSA-N 0 1 246.310 2.541 20 10 BFCDMN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000877566005 590360741 /nfs/dbraw/zinc/36/07/41/590360741.db2.gz UHBTYVDAABXZFD-WFASDCNBSA-N 0 1 249.354 2.557 20 10 BFCDMN CS[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000128013604 590878733 /nfs/dbraw/zinc/87/87/33/590878733.db2.gz GFEKDMHDTWHGRA-QMMMGPOBSA-N 0 1 245.775 2.887 20 10 BFCDMN CC[N@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000132694584 591730224 /nfs/dbraw/zinc/73/02/24/591730224.db2.gz JVKKNZFFVZUVBP-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CC[N@@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000132694584 591730227 /nfs/dbraw/zinc/73/02/27/591730227.db2.gz JVKKNZFFVZUVBP-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN COC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134900844 591957921 /nfs/dbraw/zinc/95/79/21/591957921.db2.gz DPFZFVQMHWCHEZ-IUCAKERBSA-N 0 1 243.734 2.731 20 10 BFCDMN COC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134900867 591958140 /nfs/dbraw/zinc/95/81/40/591958140.db2.gz DPFZFVQMHWCHEZ-BDAKNGLRSA-N 0 1 243.734 2.731 20 10 BFCDMN CO[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000304639581 635944471 /nfs/dbraw/zinc/94/44/71/635944471.db2.gz RZIXPSSGMUHWFW-SECBINFHSA-N 0 1 243.734 2.512 20 10 BFCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000304639581 635944474 /nfs/dbraw/zinc/94/44/74/635944474.db2.gz RZIXPSSGMUHWFW-SECBINFHSA-N 0 1 243.734 2.512 20 10 BFCDMN CC[C@H]([NH2+]CCOC)c1cc(Cl)ccc1[O-] ZINC000310014769 634074979 /nfs/dbraw/zinc/07/49/79/634074979.db2.gz KJZBJIUGCZQNPU-NSHDSACASA-N 0 1 243.734 2.733 20 10 BFCDMN CN(Cc1cccnc1)Cc1cc(F)ccc1O ZINC000183657704 643152937 /nfs/dbraw/zinc/15/29/37/643152937.db2.gz UJQKCVBGGGWRMX-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000816647903 643553256 /nfs/dbraw/zinc/55/32/56/643553256.db2.gz AAYWSEGFEVRDQQ-BDAKNGLRSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000816647903 643553261 /nfs/dbraw/zinc/55/32/61/643553261.db2.gz AAYWSEGFEVRDQQ-BDAKNGLRSA-N 0 1 225.719 2.886 20 10 BFCDMN CC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000074068107 644168714 /nfs/dbraw/zinc/16/87/14/644168714.db2.gz QHXYDLMCKXRTIP-AWEZNQCLSA-N 0 1 249.354 2.620 20 10 BFCDMN Oc1cc2c(cc1CN1CC[C@@H](F)C1)CCCC2 ZINC000840104964 644866818 /nfs/dbraw/zinc/86/68/18/644866818.db2.gz WGNYQCAHZIRSFC-CQSZACIVSA-N 0 1 249.329 2.815 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C=CCC1 ZINC000700489421 711994591 /nfs/dbraw/zinc/99/45/91/711994591.db2.gz PDQNTCVQWVDGKO-NSHDSACASA-N 0 1 223.703 2.854 20 10 BFCDMN C/C=C/C[NH2+]Cc1c([O-])cccc1Cl ZINC000384991581 711003218 /nfs/dbraw/zinc/00/32/18/711003218.db2.gz KSEOQLQCQCBWSS-NSCUHMNNSA-N 0 1 211.692 2.711 20 10 BFCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000035733178 711703007 /nfs/dbraw/zinc/70/30/07/711703007.db2.gz DINFURIJAJATIZ-MRVPVSSYSA-N 0 1 225.719 2.934 20 10 BFCDMN C[C@H](NCc1ccccc1O)c1cscn1 ZINC000161182463 711811065 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991319864 /nfs/dbraw/zinc/31/98/64/991319864.db2.gz OHUFZEQFVDWVKS-QMMMGPOBSA-N 0 1 227.254 2.512 20 10 BFCDMN Cc1ccc(C)c(CN2CCC(=O)C[C@@H]2C)c1O ZINC001140178470 991549122 /nfs/dbraw/zinc/54/91/22/991549122.db2.gz MHAHEDFHKKUEAR-LBPRGKRZSA-N 0 1 247.338 2.562 20 10 BFCDMN COc1cc(C)c(C[N@H+]2CC[C@H]2C2CC2)c(O)c1 ZINC001560843595 991622348 /nfs/dbraw/zinc/62/23/48/991622348.db2.gz DQRSBHMVRADMRB-AWEZNQCLSA-N 0 1 247.338 2.694 20 10 BFCDMN CC1(C)C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461682 991644043 /nfs/dbraw/zinc/64/40/43/991644043.db2.gz QVBPVNAKBWJOSQ-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN C[C@@H]1CC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000389620316 993754064 /nfs/dbraw/zinc/75/40/64/993754064.db2.gz IISPKHBEHSLLIN-KCJUWKMLSA-N 0 1 225.719 2.934 20 10 BFCDMN Cc1cc(Cl)cc(C[N@H+](C)C2CC2)c1O ZINC000179691028 178063349 /nfs/dbraw/zinc/06/33/49/178063349.db2.gz GSAFVALTAWLDHG-UHFFFAOYSA-N 0 1 225.719 2.948 20 10 BFCDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCO2)cc1C ZINC000151702990 178196185 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[O-]c1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877635549 590381107 /nfs/dbraw/zinc/38/11/07/590381107.db2.gz WEJWIPYRRIOGLS-PSASIEDQSA-N 0 1 239.265 2.512 20 10 BFCDMN C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000136401970 592116894 /nfs/dbraw/zinc/11/68/94/592116894.db2.gz NXFWUGRGXMQVOS-BDAKNGLRSA-N 0 1 225.719 2.791 20 10 BFCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1(C)CC1 ZINC000309735237 632663473 /nfs/dbraw/zinc/66/34/73/632663473.db2.gz CDOLWRYHNARPLD-SECBINFHSA-N 0 1 223.291 2.810 20 10 BFCDMN CC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165415345 633091449 /nfs/dbraw/zinc/09/14/49/633091449.db2.gz PAYBTJDCJPFTIY-LLVKDONJSA-N 0 1 223.291 2.906 20 10 BFCDMN Cc1cccc(O)c1CN1CC(C(F)(F)F)C1 ZINC000894891832 636000089 /nfs/dbraw/zinc/00/00/89/636000089.db2.gz POSHMIOZKDYJMC-UHFFFAOYSA-N 0 1 245.244 2.695 20 10 BFCDMN CC[C@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000165415476 640575422 /nfs/dbraw/zinc/57/54/22/640575422.db2.gz PAYBTJDCJPFTIY-NSHDSACASA-N 0 1 223.291 2.906 20 10 BFCDMN 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/nfs/dbraw/zinc/05/39/74/980053974.db2.gz XDZVTCXSMJVXDC-UHFFFAOYSA-N 0 1 235.661 2.586 20 10 BFCDMN C[C@H](NCc1ccc(N)cc1)c1cncs1 ZINC001352789373 982578496 /nfs/dbraw/zinc/57/84/96/982578496.db2.gz JWLQIRSFZVTROF-VIFPVBQESA-N 0 1 233.340 2.576 20 10 BFCDMN CCc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000692108840 985414373 /nfs/dbraw/zinc/41/43/73/985414373.db2.gz KPTRJUUPZYHWMH-RYUDHWBXSA-N 0 1 249.354 2.564 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001137837404 990855431 /nfs/dbraw/zinc/85/54/31/990855431.db2.gz FTEFIZKYLGAVCI-SNVBAGLBSA-N 0 1 241.281 2.713 20 10 BFCDMN C[C@]1(CF)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832728 990855467 /nfs/dbraw/zinc/85/54/67/990855467.db2.gz FRWXYDNFDHGXJL-CYBMUJFWSA-N 0 1 241.281 2.713 20 10 BFCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](F)CC1 ZINC001137831853 990856044 /nfs/dbraw/zinc/85/60/44/990856044.db2.gz PYMWREFVWHOHJD-SNVBAGLBSA-N 0 1 241.281 2.855 20 10 BFCDMN CC[C@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137833230 990856075 /nfs/dbraw/zinc/85/60/75/990856075.db2.gz XSIDRDBEKDQVNA-VIFPVBQESA-N 0 1 211.280 2.762 20 10 BFCDMN C[N@@H+](Cc1c([O-])cccc1F)C1CCCC1 ZINC001137837447 990856998 /nfs/dbraw/zinc/85/69/98/990856998.db2.gz HGUQHCPPBBFPKC-UHFFFAOYSA-N 0 1 223.291 2.906 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC12CC2 ZINC001138122728 990883901 /nfs/dbraw/zinc/88/39/01/990883901.db2.gz YVIUUBAAZMLLLH-UHFFFAOYSA-N 0 1 221.275 2.660 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC001308918466 991213684 /nfs/dbraw/zinc/21/36/84/991213684.db2.gz QFSRMXGZDFTWBX-VIFPVBQESA-N 0 1 243.709 2.837 20 10 BFCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC001308918466 991213690 /nfs/dbraw/zinc/21/36/90/991213690.db2.gz QFSRMXGZDFTWBX-VIFPVBQESA-N 0 1 243.709 2.837 20 10 BFCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001139688071 991317681 /nfs/dbraw/zinc/31/76/81/991317681.db2.gz YGVOSFGOLFKBAF-PELKAZGASA-N 0 1 239.265 2.655 20 10 BFCDMN Oc1cc(Cl)ccc1CN1CCC[C@@H]1CF ZINC001140468403 991646001 /nfs/dbraw/zinc/64/60/01/991646001.db2.gz JLNOLTAROCRXGK-LLVKDONJSA-N 0 1 243.709 2.980 20 10 BFCDMN Cc1cc(O)c(C[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000172493579 178195625 /nfs/dbraw/zinc/19/56/25/178195625.db2.gz UBBPVUOEYCGYAB-CYBMUJFWSA-N 0 1 249.354 2.620 20 10 BFCDMN C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000035603361 343299552 /nfs/dbraw/zinc/29/95/52/343299552.db2.gz UANAHFYVSDDWSG-GHMZBOCLSA-N 0 1 245.322 2.577 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1CF ZINC000294076999 188213018 /nfs/dbraw/zinc/21/30/18/188213018.db2.gz QVRJBOXGLVXOLN-JTQLQIEISA-N 0 1 243.709 2.980 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1CC1 ZINC000090739996 183292986 /nfs/dbraw/zinc/29/29/86/183292986.db2.gz OAWIHJFCCJSDHY-UHFFFAOYSA-N 0 1 225.719 2.935 20 10 BFCDMN Oc1ccccc1CNCc1c(F)cccc1F ZINC000083380261 183302944 /nfs/dbraw/zinc/30/29/44/183302944.db2.gz XLEBZSLGYCBHCY-UHFFFAOYSA-N 0 1 249.260 2.960 20 10 BFCDMN C[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000035602012 383863884 /nfs/dbraw/zinc/86/38/84/383863884.db2.gz DHKVFKYAWNPNAY-MNOVXSKESA-N 0 1 245.322 2.577 20 10 BFCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000132446897 384230042 /nfs/dbraw/zinc/23/00/42/384230042.db2.gz VSDCHQICGDYRLS-NSHDSACASA-N 0 1 235.327 2.775 20 10 BFCDMN CC[N@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000132696360 384243353 /nfs/dbraw/zinc/24/33/53/384243353.db2.gz YBPDVVXHRZWJSC-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CC[N@@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000132696360 384243358 /nfs/dbraw/zinc/24/33/58/384243358.db2.gz YBPDVVXHRZWJSC-UHFFFAOYSA-N 0 1 243.734 2.514 20 10 BFCDMN CSCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083799536 384333204 /nfs/dbraw/zinc/33/32/04/384333204.db2.gz DNCWPVFAXMBSSO-UHFFFAOYSA-N 0 1 245.775 2.888 20 10 BFCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000285105713 385899760 /nfs/dbraw/zinc/89/97/60/385899760.db2.gz NSPFDLXTHULKIG-OKILXGFUSA-N 0 1 249.354 2.618 20 10 BFCDMN Cc1ccc(O)c(C[N@H+]2CCCSCC2)c1 ZINC000273375828 385994768 /nfs/dbraw/zinc/99/47/68/385994768.db2.gz GPUVFEIZVBJREN-UHFFFAOYSA-N 0 1 237.368 2.640 20 10 BFCDMN C[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1[O-] ZINC000134901215 386452348 /nfs/dbraw/zinc/45/23/48/386452348.db2.gz XGSBXSWKCXYITG-ZETCQYMHSA-N 0 1 211.692 2.859 20 10 BFCDMN CN(C/C=C/Cl)Cc1ccccc1O ZINC000268952756 386728086 /nfs/dbraw/zinc/72/80/86/386728086.db2.gz FWPMWGSRHRKQDV-QPJJXVBHSA-N 0 1 211.692 2.577 20 10 BFCDMN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000280471663 386818054 /nfs/dbraw/zinc/81/80/54/386818054.db2.gz NDSXSPWFSUUMSE-JSGCOSHPSA-N 0 1 249.354 2.518 20 10 BFCDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000280471663 386818061 /nfs/dbraw/zinc/81/80/61/386818061.db2.gz NDSXSPWFSUUMSE-JSGCOSHPSA-N 0 1 249.354 2.518 20 10 BFCDMN COc1ccc(N(C)Cc2[nH]ncc2C)cc1F ZINC000290961517 175136119 /nfs/dbraw/zinc/13/61/19/175136119.db2.gz WKMRRCRURANLID-UHFFFAOYSA-N 0 1 249.289 2.502 20 10 BFCDMN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607841 177126732 /nfs/dbraw/zinc/12/67/32/177126732.db2.gz MQTHBUXELQIUTR-CABZTGNLSA-N 0 1 223.291 2.810 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC000272534275 177165730 /nfs/dbraw/zinc/16/57/30/177165730.db2.gz ZXZOYVNTKIUZEZ-UWVGGRQHSA-N 0 1 223.291 2.762 20 10 BFCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894136677 583314370 /nfs/dbraw/zinc/31/43/70/583314370.db2.gz AQDJBHGHOMJMCC-LBPRGKRZSA-N 0 1 241.281 2.901 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894862459 583537050 /nfs/dbraw/zinc/53/70/50/583537050.db2.gz YUIKOGASBYUDDJ-SFYZADRCSA-N 0 1 227.254 2.511 20 10 BFCDMN Cc1cccc(O)c1CN(C)Cc1ccns1 ZINC000895452583 583676633 /nfs/dbraw/zinc/67/66/33/583676633.db2.gz PGZSUNXHBAIZNT-UHFFFAOYSA-N 0 1 248.351 2.789 20 10 BFCDMN Cc1ccc(CN2CCn3cccc3C2)c(O)c1 ZINC000896762941 583831605 /nfs/dbraw/zinc/83/16/05/583831605.db2.gz HRMAGZJMTUCAET-UHFFFAOYSA-N 0 1 242.322 2.518 20 10 BFCDMN Cc1ccc(O)c(CN2CCn3cccc3C2)c1 ZINC000896762108 583831654 /nfs/dbraw/zinc/83/16/54/583831654.db2.gz XJSJAVXLIMOGGG-UHFFFAOYSA-N 0 1 242.322 2.518 20 10 BFCDMN C[C@H](N[C@@H](C)c1ccccc1O)c1ccn(C)n1 ZINC000840815494 585068282 /nfs/dbraw/zinc/06/82/82/585068282.db2.gz FNPSEOVAFFBZJZ-QWRGUYRKSA-N 0 1 245.326 2.538 20 10 BFCDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccccc1O ZINC000840815487 585068295 /nfs/dbraw/zinc/06/82/95/585068295.db2.gz FNPSEOVAFFBZJZ-MNOVXSKESA-N 0 1 245.326 2.538 20 10 BFCDMN Oc1c(F)cc(Cl)cc1CNCC(F)F ZINC000839093566 585090576 /nfs/dbraw/zinc/09/05/76/585090576.db2.gz SWXZXWXNEVASDT-UHFFFAOYSA-N 0 1 239.624 2.539 20 10 BFCDMN CCOc1ccc(C[N@@H+](C)C(C)C)c(O)c1 ZINC000768140676 585532831 /nfs/dbraw/zinc/53/28/31/585532831.db2.gz GXBYXNOJQIBVFF-UHFFFAOYSA-N 0 1 223.316 2.631 20 10 BFCDMN COc1cccc(O)c1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000768420400 585538330 /nfs/dbraw/zinc/53/83/30/585538330.db2.gz DZARODQRYUESNR-JTQLQIEISA-N 0 1 235.327 2.631 20 10 BFCDMN CN(Cc1cncc(F)c1)Cc1ccccc1O ZINC000771307503 585592268 /nfs/dbraw/zinc/59/22/68/585592268.db2.gz IRLMFRHJRNPFHR-UHFFFAOYSA-N 0 1 246.285 2.558 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC=CCC1 ZINC000779164604 585746199 /nfs/dbraw/zinc/74/61/99/585746199.db2.gz YLJATRAQHVQFQZ-UHFFFAOYSA-N 0 1 223.703 2.808 20 10 BFCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC=CCC1 ZINC000779159243 585746277 /nfs/dbraw/zinc/74/62/77/585746277.db2.gz CUXHAZUCLYXOEA-UHFFFAOYSA-N 0 1 241.693 2.947 20 10 BFCDMN Cc1cc(O)c(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000793229300 586014749 /nfs/dbraw/zinc/01/47/49/586014749.db2.gz VVYBQUCRXKRXCF-TXEJJXNPSA-N 0 1 219.328 2.992 20 10 BFCDMN CC[C@H]1CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000793820120 586027113 /nfs/dbraw/zinc/02/71/13/586027113.db2.gz KCFZKXSTKNZQOH-LBPRGKRZSA-N 0 1 242.322 2.925 20 10 BFCDMN CC[C@H]1CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000793820120 586027114 /nfs/dbraw/zinc/02/71/14/586027114.db2.gz KCFZKXSTKNZQOH-LBPRGKRZSA-N 0 1 242.322 2.925 20 10 BFCDMN CCc1nocc1CN(C)Cc1ccccc1O ZINC000816492978 586737203 /nfs/dbraw/zinc/73/72/03/586737203.db2.gz KTNNYYBOUHDEMF-UHFFFAOYSA-N 0 1 246.310 2.575 20 10 BFCDMN CC1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816595645 586743909 /nfs/dbraw/zinc/74/39/09/586743909.db2.gz VMGFXYAJZKDLEY-UHFFFAOYSA-N 0 1 227.307 2.997 20 10 BFCDMN Oc1ccc(F)cc1CN1CC(CC(F)F)C1 ZINC000822521198 587172738 /nfs/dbraw/zinc/17/27/38/587172738.db2.gz YBGXYUYGYYIAMM-UHFFFAOYSA-N 0 1 245.244 2.618 20 10 BFCDMN Oc1cc(F)c(Cl)cc1CN1CC[C@H](F)C1 ZINC000824570720 587277016 /nfs/dbraw/zinc/27/70/16/587277016.db2.gz FUHLEIHGYFDAPJ-QMMMGPOBSA-N 0 1 247.672 2.729 20 10 BFCDMN Oc1cc(F)c(Cl)cc1CN1CC[C@@H](F)C1 ZINC000824570719 587277232 /nfs/dbraw/zinc/27/72/32/587277232.db2.gz FUHLEIHGYFDAPJ-MRVPVSSYSA-N 0 1 247.672 2.729 20 10 BFCDMN Cc1cc(O)c(CN(C)CCF)cc1Cl ZINC000826011210 587348436 /nfs/dbraw/zinc/34/84/36/587348436.db2.gz BGSCDHISRPTGDJ-UHFFFAOYSA-N 0 1 231.698 2.755 20 10 BFCDMN CCC1C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000835074050 587780282 /nfs/dbraw/zinc/78/02/82/587780282.db2.gz GGTDELDWRSWPFB-UHFFFAOYSA-N 0 1 225.719 2.887 20 10 BFCDMN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753090 587974384 /nfs/dbraw/zinc/97/43/84/587974384.db2.gz SAOOTNVKKDTHFY-IUCAKERBSA-N 0 1 243.734 2.731 20 10 BFCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccccc1O ZINC000850572175 588561091 /nfs/dbraw/zinc/56/10/91/588561091.db2.gz HKRDMJYTCCZKSR-MNOVXSKESA-N 0 1 245.326 2.538 20 10 BFCDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1nccn1C ZINC000850572178 588561206 /nfs/dbraw/zinc/56/12/06/588561206.db2.gz HKRDMJYTCCZKSR-WDEREUQCSA-N 0 1 245.326 2.538 20 10 BFCDMN CCN(CC)Cc1cc(F)c(N(C)C)cc1F ZINC000862212974 589194604 /nfs/dbraw/zinc/19/46/04/589194604.db2.gz ZAPKOQMJFGFKPQ-UHFFFAOYSA-N 0 1 242.313 2.873 20 10 BFCDMN Cc1ccc(C[N@H+](C)[C@@H](C)C2CC2)c(O)c1 ZINC000876589307 590217180 /nfs/dbraw/zinc/21/71/80/590217180.db2.gz JRLIAXVKQQSWGT-NSHDSACASA-N 0 1 219.328 2.931 20 10 BFCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000876745809 590236450 /nfs/dbraw/zinc/23/64/50/590236450.db2.gz OWIDAXIEEPKNPX-UHFFFAOYSA-N 0 1 227.254 2.655 20 10 BFCDMN Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)c(O)c1 ZINC000876752656 590237887 /nfs/dbraw/zinc/23/78/87/590237887.db2.gz VYDJKMUJJMWMSK-UHFFFAOYSA-N 0 1 249.354 2.702 20 10 BFCDMN Cc1ccc(C[N@@H+]2CC[C@H]2C(C)C)c(O)c1 ZINC000876879890 590253120 /nfs/dbraw/zinc/25/31/20/590253120.db2.gz WQOFVPSVRFQVNS-ZDUSSCGKSA-N 0 1 219.328 2.931 20 10 BFCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486369 590338821 /nfs/dbraw/zinc/33/88/21/590338821.db2.gz IMWNIRKESUWPCY-OCAPTIKFSA-N 0 1 227.254 2.653 20 10 BFCDMN CC[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000132432865 591709118 /nfs/dbraw/zinc/70/91/18/591709118.db2.gz LDJQSIFTSKBWKQ-LBPRGKRZSA-N 0 1 235.327 2.775 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccoc1 ZINC000136401291 592116887 /nfs/dbraw/zinc/11/68/87/592116887.db2.gz DIDOLYGDGNVZSC-UHFFFAOYSA-N 0 1 237.686 2.928 20 10 BFCDMN CC[C@H](COC)[NH2+]Cc1c([O-])cccc1Cl ZINC000084225643 631437454 /nfs/dbraw/zinc/43/74/54/631437454.db2.gz NLPYLTOGJWTPOT-SECBINFHSA-N 0 1 243.734 2.560 20 10 BFCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309476004 633136440 /nfs/dbraw/zinc/13/64/40/633136440.db2.gz BZKHWCUEUDNVSF-PJXYFTJBSA-N 0 1 237.730 2.934 20 10 BFCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000163164850 636080102 /nfs/dbraw/zinc/08/01/02/636080102.db2.gz OIZYMBBMDCWDNS-UWVGGRQHSA-N 0 1 223.291 2.762 20 10 BFCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000816647906 643555275 /nfs/dbraw/zinc/55/52/75/643555275.db2.gz AAYWSEGFEVRDQQ-RKDXNWHRSA-N 0 1 225.719 2.886 20 10 BFCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000816647906 643555280 /nfs/dbraw/zinc/55/52/80/643555280.db2.gz AAYWSEGFEVRDQQ-RKDXNWHRSA-N 0 1 225.719 2.886 20 10 BFCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccnc1 ZINC000083551198 643586255 /nfs/dbraw/zinc/58/62/55/643586255.db2.gz BHBYQLLBHKRNGJ-UHFFFAOYSA-N 0 1 248.713 2.730 20 10 BFCDMN CCc1cc(CN[C@@H](C)c2ccccc2O)on1 ZINC000783514873 644756005 /nfs/dbraw/zinc/75/60/05/644756005.db2.gz UUWWRLBJMOQFFM-JTQLQIEISA-N 0 1 246.310 2.793 20 10 BFCDMN C[C@@H](NCc1ccccc1O)c1cscn1 ZINC000161182591 711811019 /nfs/dbraw/zinc/81/10/19/711811019.db2.gz CCISEMHSPKGJIS-SECBINFHSA-N 0 1 234.324 2.700 20 10 BFCDMN C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708397335 712192982 /nfs/dbraw/zinc/19/29/82/712192982.db2.gz BJCWANUWJZFENW-QMMMGPOBSA-N 0 1 227.254 2.655 20 10 BFCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000708402217 712192520 /nfs/dbraw/zinc/19/25/20/712192520.db2.gz VTMFVFFAMOOZHR-UHFFFAOYSA-N 0 1 229.270 2.901 20 10 BFCDMN CCC[N@@H+](CC)Cc1cc(F)cc(F)c1[O-] ZINC000708402198 712192552 /nfs/dbraw/zinc/19/25/52/712192552.db2.gz VOVWPYRBZWLPRN-UHFFFAOYSA-N 0 1 229.270 2.902 20 10 BFCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708402884 712192637 /nfs/dbraw/zinc/19/26/37/712192637.db2.gz XHOUNLIXZGTIDO-DTWKUNHWSA-N 0 1 241.281 2.901 20 10 BFCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CC1 ZINC001142508736 961468475 /nfs/dbraw/zinc/46/84/75/961468475.db2.gz JUEAPRJTYJVYKU-UHFFFAOYSA-N 0 1 227.254 2.512 20 10 BFCDMN C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509123 964346478 /nfs/dbraw/zinc/34/64/78/964346478.db2.gz XNHZOYXHSYSUDP-QMMMGPOBSA-N 0 1 227.254 2.512 20 10 BFCDMN CCC(CC)[N@H+]1CCc2cccc(O)c2C1 ZINC001257303354 971192359 /nfs/dbraw/zinc/19/23/59/971192359.db2.gz OAXBXFYSBICOFG-UHFFFAOYSA-N 0 1 219.328 2.939 20 10 BFCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000165416746 956869565 /nfs/dbraw/zinc/86/95/65/956869565.db2.gz RACMNBPYMYZDAT-GXSJLCMTSA-N 0 1 221.275 2.516 20 10 BFCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](F)C1 ZINC000689864959 960296508 /nfs/dbraw/zinc/29/65/08/960296508.db2.gz WNOWACAJNJUSDD-VIFPVBQESA-N 0 1 229.682 2.589 20 10 BFCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142512769 961463385 /nfs/dbraw/zinc/46/33/85/961463385.db2.gz KHZYPVLWDVUOHC-MRVPVSSYSA-N 0 1 229.270 2.901 20 10 BFCDMN Oc1c(Cl)cccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714556316 964097417 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