smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc(Cl)c1C[NH2+]Cc1cocn1 ZINC000381566092 710657414 /nfs/dbraw/zinc/65/74/14/710657414.db2.gz UJGCUAQTAVESEY-UHFFFAOYSA-N 1 2 238.674 2.323 20 10 BECDLO CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708558588 712212976 /nfs/dbraw/zinc/21/29/76/712212976.db2.gz KECMVGSAAVMUDB-UHFFFAOYSA-N 1 2 201.216 2.170 20 10 BECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000381398758 1167563922 /nfs/dbraw/zinc/56/39/22/1167563922.db2.gz AUYSCZSNHVPVAB-VIFPVBQESA-N 1 2 245.681 2.063 20 10 BECDLO CNc1ccccc1NCCCn1cc[nH+]c1 ZINC001161689286 964686242 /nfs/dbraw/zinc/68/62/42/964686242.db2.gz MXDDGIDVOCOSBH-UHFFFAOYSA-N 1 2 230.315 2.427 20 10 BECDLO COCc1cc[nH+]c(NCc2ccc(N)cc2)c1 ZINC001162783973 965168707 /nfs/dbraw/zinc/16/87/07/965168707.db2.gz DIGDBRXRDFNXIP-UHFFFAOYSA-N 1 2 243.310 2.422 20 10 BECDLO Cn1ccc2c1cc[nH+]c2-c1cnn2cccnc12 ZINC001240917842 968804494 /nfs/dbraw/zinc/80/44/94/968804494.db2.gz DCAZXMLVZQNIPN-UHFFFAOYSA-N 1 2 249.277 2.283 20 10 BECDLO C[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC001233073816 978455905 /nfs/dbraw/zinc/45/59/05/978455905.db2.gz CZKILUILJFBLQS-ZETCQYMHSA-N 1 2 213.227 2.265 20 10 BECDLO Cc1cccc(O)c1C[N@@H+]1Cc2cncnc2C1 ZINC001237483797 979912052 /nfs/dbraw/zinc/91/20/52/979912052.db2.gz UNOXWSMZWUWWTF-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO Cc1cccc(O)c1C[N@H+]1Cc2cncnc2C1 ZINC001237483797 979912061 /nfs/dbraw/zinc/91/20/61/979912061.db2.gz UNOXWSMZWUWWTF-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO CCn1ccc(-c2ccc3[nH+]ccn3c2)cc1=O ZINC001240221286 981176168 /nfs/dbraw/zinc/17/61/68/981176168.db2.gz KJVUYHFNNRFQOX-UHFFFAOYSA-N 1 2 239.278 2.183 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC001137837359 990855583 /nfs/dbraw/zinc/85/55/83/990855583.db2.gz CSMAOHHVPCOMNI-SECBINFHSA-N 1 2 227.254 2.465 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](F)C1 ZINC001137837359 990855586 /nfs/dbraw/zinc/85/55/86/990855586.db2.gz CSMAOHHVPCOMNI-SECBINFHSA-N 1 2 227.254 2.465 20 10 BECDLO C[N@H+](Cc1ccno1)Cc1c(O)cccc1F ZINC001137839526 990859249 /nfs/dbraw/zinc/85/92/49/990859249.db2.gz BNYAKJBTNFGQHL-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO C[N@@H+](Cc1ccno1)Cc1c(O)cccc1F ZINC001137839526 990859250 /nfs/dbraw/zinc/85/92/50/990859250.db2.gz BNYAKJBTNFGQHL-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO CC[N@H+](Cc1c(O)cccc1Cl)C1COC1 ZINC001140341372 991610707 /nfs/dbraw/zinc/61/07/07/991610707.db2.gz KPQKVWMFSPPDPN-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO CC[N@@H+](Cc1c(O)cccc1Cl)C1COC1 ZINC001140341372 991610717 /nfs/dbraw/zinc/61/07/17/991610717.db2.gz KPQKVWMFSPPDPN-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[N@H+](Cc1cscn1)Cc1ccc(N)cc1 ZINC000042829187 1171258747 /nfs/dbraw/zinc/25/87/47/1171258747.db2.gz PNTBCVLCPULIKV-UHFFFAOYSA-N 1 2 233.340 2.357 20 10 BECDLO C[N@@H+](Cc1cscn1)Cc1ccc(N)cc1 ZINC000042829187 1171258759 /nfs/dbraw/zinc/25/87/59/1171258759.db2.gz PNTBCVLCPULIKV-UHFFFAOYSA-N 1 2 233.340 2.357 20 10 BECDLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccccc1O ZINC000091974714 398304052 /nfs/dbraw/zinc/30/40/52/398304052.db2.gz AUFNSYVHKPCMIS-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1[nH]ncc1C[N@H+](C)Cc1ccccc1O ZINC000091974714 398304054 /nfs/dbraw/zinc/30/40/54/398304054.db2.gz AUFNSYVHKPCMIS-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCO1 ZINC000162823461 188336005 /nfs/dbraw/zinc/33/60/05/188336005.db2.gz PGOVLZWCHAECTD-JTQLQIEISA-N 1 2 241.718 2.314 20 10 BECDLO CC(C)(CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162645493 188336128 /nfs/dbraw/zinc/33/61/28/188336128.db2.gz VYJJFDYGFWXGIK-UHFFFAOYSA-N 1 2 243.734 2.296 20 10 BECDLO Cc1ccc(O)c(C[NH2+]CC(F)F)c1 ZINC000147394127 384288718 /nfs/dbraw/zinc/28/87/18/384288718.db2.gz RKHALOOEMLESKB-UHFFFAOYSA-N 1 2 201.216 2.055 20 10 BECDLO Cc1ccc(O)c(C[N@@H+](C)Cc2nccn2C)c1 ZINC000134103662 384330411 /nfs/dbraw/zinc/33/04/11/384330411.db2.gz XVMCKEOBJZPCMN-UHFFFAOYSA-N 1 2 245.326 2.066 20 10 BECDLO Cc1ccc(O)c(C[N@H+](C)Cc2nccn2C)c1 ZINC000134103662 384330419 /nfs/dbraw/zinc/33/04/19/384330419.db2.gz XVMCKEOBJZPCMN-UHFFFAOYSA-N 1 2 245.326 2.066 20 10 BECDLO CC[C@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162708948 384670961 /nfs/dbraw/zinc/67/09/61/384670961.db2.gz ODSOXSPLKALLMI-JTQLQIEISA-N 1 2 243.734 2.296 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000162818167 384692720 /nfs/dbraw/zinc/69/27/20/384692720.db2.gz OBSHHSHJLVQNNC-SNVBAGLBSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(F)c(F)c1O ZINC000187720641 384974891 /nfs/dbraw/zinc/97/48/91/384974891.db2.gz RAXABIXESQUXJY-JGVFFNPUSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1O ZINC000165176423 385076169 /nfs/dbraw/zinc/07/61/69/385076169.db2.gz QOPUJAHHFPMFRJ-VIFPVBQESA-N 1 2 242.750 2.085 20 10 BECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493554975 385281823 /nfs/dbraw/zinc/28/18/23/385281823.db2.gz MNVQSNSLRQYOMF-DAXSKMNVSA-N 1 2 245.257 2.225 20 10 BECDLO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000361053745 385527901 /nfs/dbraw/zinc/52/79/01/385527901.db2.gz SNZIRWJWZPTBPI-LLVKDONJSA-N 1 2 245.282 2.112 20 10 BECDLO Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000361053745 385527905 /nfs/dbraw/zinc/52/79/05/385527905.db2.gz SNZIRWJWZPTBPI-LLVKDONJSA-N 1 2 245.282 2.112 20 10 BECDLO C[N@H+](Cc1ccon1)Cc1cccc(F)c1O ZINC000272303881 385893042 /nfs/dbraw/zinc/89/30/42/385893042.db2.gz QETWTWPRVVMQCJ-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO C[N@@H+](Cc1ccon1)Cc1cccc(F)c1O ZINC000272303881 385893045 /nfs/dbraw/zinc/89/30/45/385893045.db2.gz QETWTWPRVVMQCJ-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccccc1O ZINC000290411181 386429845 /nfs/dbraw/zinc/42/98/45/386429845.db2.gz LIDDVIPIEAWYJI-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1cn[nH]c1C[N@H+](C)Cc1ccccc1O ZINC000290411181 386429848 /nfs/dbraw/zinc/42/98/48/386429848.db2.gz LIDDVIPIEAWYJI-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1nc(NCc2c(O)cccc2F)cc[nH+]1 ZINC001651438847 1172952639 /nfs/dbraw/zinc/95/26/39/1172952639.db2.gz SKZRIYBFXVIQEZ-UHFFFAOYSA-N 1 2 233.246 2.242 20 10 BECDLO COc1ccc(O)c(C[N@H+](C)Cc2ccon2)c1 ZINC000271872065 175158315 /nfs/dbraw/zinc/15/83/15/175158315.db2.gz SHEODCHDYVGNOJ-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO COc1ccc(O)c(C[N@@H+](C)Cc2ccon2)c1 ZINC000271872065 175158317 /nfs/dbraw/zinc/15/83/17/175158317.db2.gz SHEODCHDYVGNOJ-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC=CCC1 ZINC000894423450 583455708 /nfs/dbraw/zinc/45/57/08/583455708.db2.gz QPNPOGFSICNIHU-UHFFFAOYSA-N 1 2 225.238 2.432 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC=CCC1 ZINC000894423450 583455709 /nfs/dbraw/zinc/45/57/09/583455709.db2.gz QPNPOGFSICNIHU-UHFFFAOYSA-N 1 2 225.238 2.432 20 10 BECDLO Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)c(O)c1 ZINC000894586161 583489575 /nfs/dbraw/zinc/48/95/75/583489575.db2.gz ANLSPARLRSSETJ-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)c(O)c1 ZINC000894586161 583489577 /nfs/dbraw/zinc/48/95/77/583489577.db2.gz ANLSPARLRSSETJ-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO CC[C@H]([NH2+]CC[NH2+]C)c1cccc(Cl)c1[O-] ZINC000817953318 584991320 /nfs/dbraw/zinc/99/13/20/584991320.db2.gz ZZDJEOLYBXLUMM-NSHDSACASA-N 1 2 242.750 2.306 20 10 BECDLO Cc1cc(O)c(C[NH+]2CC(F)C2)cc1C ZINC000753577654 585262618 /nfs/dbraw/zinc/26/26/18/585262618.db2.gz XMORAMOBYDQIPI-UHFFFAOYSA-N 1 2 209.264 2.163 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)C1CC(O)C1 ZINC000761224300 585412450 /nfs/dbraw/zinc/41/24/50/585412450.db2.gz VTKDPMOKAKPJIZ-UHFFFAOYSA-N 1 2 241.718 2.001 20 10 BECDLO C[N@@H+](Cc1cccc(Cl)c1O)C1CC(O)C1 ZINC000761224300 585412451 /nfs/dbraw/zinc/41/24/51/585412451.db2.gz VTKDPMOKAKPJIZ-UHFFFAOYSA-N 1 2 241.718 2.001 20 10 BECDLO CC[N@H+](C[C@@H](C)CO)c1ccc(OC)cc1 ZINC000766913762 585511608 /nfs/dbraw/zinc/51/16/08/585511608.db2.gz GINBGHSKAORNSF-LLVKDONJSA-N 1 2 223.316 2.150 20 10 BECDLO CC[N@@H+](C[C@@H](C)CO)c1ccc(OC)cc1 ZINC000766913762 585511609 /nfs/dbraw/zinc/51/16/09/585511609.db2.gz GINBGHSKAORNSF-LLVKDONJSA-N 1 2 223.316 2.150 20 10 BECDLO Cc1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000775985169 585688954 /nfs/dbraw/zinc/68/89/54/585688954.db2.gz KJLNUJKFEFWKSP-CHWSQXEVSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000775985169 585688955 /nfs/dbraw/zinc/68/89/55/585688955.db2.gz KJLNUJKFEFWKSP-CHWSQXEVSA-N 1 2 248.370 2.225 20 10 BECDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000788269059 585919877 /nfs/dbraw/zinc/91/98/77/585919877.db2.gz LBZLIBOVSRGFRV-PSASIEDQSA-N 1 2 241.718 2.001 20 10 BECDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000788269059 585919878 /nfs/dbraw/zinc/91/98/78/585919878.db2.gz LBZLIBOVSRGFRV-PSASIEDQSA-N 1 2 241.718 2.001 20 10 BECDLO COC1(C)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000813331942 586600295 /nfs/dbraw/zinc/60/02/95/586600295.db2.gz NRWBQANIXIOCSA-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H](O)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000827585707 587390252 /nfs/dbraw/zinc/39/02/52/587390252.db2.gz OILLCVSSFDWAAT-QMMMGPOBSA-N 1 2 241.718 2.049 20 10 BECDLO COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059508 587940380 /nfs/dbraw/zinc/94/03/80/587940380.db2.gz SXUQBNJOYPAYRZ-FZMZJTMJSA-N 1 2 248.370 2.091 20 10 BECDLO C[C@@H]([NH3+])[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000841076624 587944100 /nfs/dbraw/zinc/94/41/00/587944100.db2.gz KIKLMZPLUAYGCA-RNFRBKRXSA-N 1 2 246.713 2.010 20 10 BECDLO C[C@H]([NH3+])[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000841076622 587944458 /nfs/dbraw/zinc/94/44/58/587944458.db2.gz KIKLMZPLUAYGCA-BQBZGAKWSA-N 1 2 246.713 2.010 20 10 BECDLO C[C@H](CCO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000846111366 588257279 /nfs/dbraw/zinc/25/72/79/588257279.db2.gz OOZDGEQILVLKCO-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO C[C@H](CCO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000846111366 588257280 /nfs/dbraw/zinc/25/72/80/588257280.db2.gz OOZDGEQILVLKCO-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO C[C@@H](CCO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000846111367 588257416 /nfs/dbraw/zinc/25/74/16/588257416.db2.gz OOZDGEQILVLKCO-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO C[C@@H](CCO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000846111367 588257417 /nfs/dbraw/zinc/25/74/17/588257417.db2.gz OOZDGEQILVLKCO-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO CCc1cccc(C[NH+]2CC(F)C2)c1O ZINC000848903215 588418657 /nfs/dbraw/zinc/41/86/57/588418657.db2.gz ZCJLHVORLFLGFJ-UHFFFAOYSA-N 1 2 209.264 2.108 20 10 BECDLO Cc1nnsc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703018 590396623 /nfs/dbraw/zinc/39/66/23/590396623.db2.gz OSMNQEUBYKCKGE-UHFFFAOYSA-N 1 2 247.323 2.068 20 10 BECDLO Cc1nnsc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703018 590396624 /nfs/dbraw/zinc/39/66/24/590396624.db2.gz OSMNQEUBYKCKGE-UHFFFAOYSA-N 1 2 247.323 2.068 20 10 BECDLO CCc1nc(C[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000879651974 590843881 /nfs/dbraw/zinc/84/38/81/590843881.db2.gz RLTDKLWAKSJAOO-VIFPVBQESA-N 1 2 247.298 2.188 20 10 BECDLO C[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132604976 591725159 /nfs/dbraw/zinc/72/51/59/591725159.db2.gz ZXYRHLGOQUGGMH-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000132604976 591725161 /nfs/dbraw/zinc/72/51/61/591725161.db2.gz ZXYRHLGOQUGGMH-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649126 635872043 /nfs/dbraw/zinc/87/20/43/635872043.db2.gz ITZXQCWZPALDQB-BDAKNGLRSA-N 1 2 247.298 2.495 20 10 BECDLO CO[C@@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309650487 633216651 /nfs/dbraw/zinc/21/66/51/633216651.db2.gz NXIKQFZOHVFDNR-ZETCQYMHSA-N 1 2 247.697 2.309 20 10 BECDLO Cc1cc(O)c(C[NH+]2CCOCC2)cc1Cl ZINC000100692708 636529955 /nfs/dbraw/zinc/52/99/55/636529955.db2.gz IUOUODSZCOHPSH-UHFFFAOYSA-N 1 2 241.718 2.186 20 10 BECDLO CO[C@@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000191206076 641906072 /nfs/dbraw/zinc/90/60/72/641906072.db2.gz DTHNIRHWGPDMCC-QMMMGPOBSA-N 1 2 229.707 2.170 20 10 BECDLO Cc1noc(C[N@@H+](C)Cc2cccc(C)c2O)n1 ZINC000848927664 645443608 /nfs/dbraw/zinc/44/36/08/645443608.db2.gz JYVYUFKBQUDNCU-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1noc(C[N@H+](C)Cc2cccc(C)c2O)n1 ZINC000848927664 645443613 /nfs/dbraw/zinc/44/36/13/645443613.db2.gz JYVYUFKBQUDNCU-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO CC[C@H]([NH2+]CCO)c1cccc(Cl)c1O ZINC000389905852 711097368 /nfs/dbraw/zinc/09/73/68/711097368.db2.gz GQHIEMUSMRXJQT-JTQLQIEISA-N 1 2 229.707 2.079 20 10 BECDLO COc1cccc(C[NH2+][C@H](C)C(F)F)c1O ZINC000389950069 711100208 /nfs/dbraw/zinc/10/02/08/711100208.db2.gz WTOILQRBEPOOKI-SSDOTTSWSA-N 1 2 231.242 2.144 20 10 BECDLO C[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000390509972 711123222 /nfs/dbraw/zinc/12/32/22/711123222.db2.gz ZBOSIJADYFPELS-SSDOTTSWSA-N 1 2 247.697 2.045 20 10 BECDLO CC(F)(F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000382338407 711479330 /nfs/dbraw/zinc/47/93/30/711479330.db2.gz YSLQNCCSWMHKCN-UHFFFAOYSA-N 1 2 227.254 2.366 20 10 BECDLO CO[C@@H](C)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000703530165 712078043 /nfs/dbraw/zinc/07/80/43/712078043.db2.gz MVKBKKLLAAGBAG-QMMMGPOBSA-N 1 2 245.269 2.137 20 10 BECDLO CO[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000703530165 712078044 /nfs/dbraw/zinc/07/80/44/712078044.db2.gz MVKBKKLLAAGBAG-QMMMGPOBSA-N 1 2 245.269 2.137 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CC12CC2 ZINC000715294151 712515699 /nfs/dbraw/zinc/51/56/99/712515699.db2.gz OGMPWYPUNQHUDA-JTQLQIEISA-N 1 2 225.238 2.313 20 10 BECDLO C[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309740570 1167336467 /nfs/dbraw/zinc/33/64/67/1167336467.db2.gz HQLZDLZLFYOVDX-ZETCQYMHSA-N 1 2 247.697 2.045 20 10 BECDLO COCC[N@H+](C)Cc1c(O)ccc(F)c1Cl ZINC001237121451 979821421 /nfs/dbraw/zinc/82/14/21/979821421.db2.gz NQRIIFPVGMRTEK-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO COCC[N@@H+](C)Cc1c(O)ccc(F)c1Cl ZINC001237121451 979821423 /nfs/dbraw/zinc/82/14/23/979821423.db2.gz NQRIIFPVGMRTEK-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO CC(C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309693729 971767587 /nfs/dbraw/zinc/76/75/87/971767587.db2.gz QOVMRQBFYCPQGS-UHFFFAOYSA-N 1 2 247.697 2.045 20 10 BECDLO Oc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1O ZINC001203879508 966805170 /nfs/dbraw/zinc/80/51/70/966805170.db2.gz SDAIHUNORPUCHZ-SNVBAGLBSA-N 1 2 225.263 2.032 20 10 BECDLO Oc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1O ZINC001203879508 966805172 /nfs/dbraw/zinc/80/51/72/966805172.db2.gz SDAIHUNORPUCHZ-SNVBAGLBSA-N 1 2 225.263 2.032 20 10 BECDLO Oc1c(Cl)cccc1C[NH+]1CC=CC1 ZINC001231909280 977792572 /nfs/dbraw/zinc/79/25/72/977792572.db2.gz GJIBWYFGCRAYOA-UHFFFAOYSA-N 1 2 209.676 2.417 20 10 BECDLO CC[C@H]([NH3+])CN(C)Cc1cccc(Cl)c1O ZINC001236871016 979775246 /nfs/dbraw/zinc/77/52/46/979775246.db2.gz WDPKTICPHZOATE-JTQLQIEISA-N 1 2 242.750 2.215 20 10 BECDLO Cc1c(-c2ccn(C)c(=O)c2)ccc2[nH+]ccn21 ZINC001240998329 982082633 /nfs/dbraw/zinc/08/26/33/982082633.db2.gz RXBTWQJMBHYZEA-UHFFFAOYSA-N 1 2 239.278 2.008 20 10 BECDLO CCn1ccc(C[NH2+]Cc2c(O)cccc2F)n1 ZINC001474716072 987808941 /nfs/dbraw/zinc/80/89/41/987808941.db2.gz BGCABNIWBRLJHD-UHFFFAOYSA-N 1 2 249.289 2.038 20 10 BECDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)cc2O)no1 ZINC001119244438 988858320 /nfs/dbraw/zinc/85/83/20/988858320.db2.gz GYDIAHAROPURMS-VIFPVBQESA-N 1 2 247.298 2.243 20 10 BECDLO C[C@H]1C[NH+](Cc2c(O)cccc2F)C[C@H](C)O1 ZINC001137831538 990853991 /nfs/dbraw/zinc/85/39/91/990853991.db2.gz DEYAYHCAHLBIHA-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO CC[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126591 991152459 /nfs/dbraw/zinc/15/24/59/991152459.db2.gz LQLZRPAOWVIZKG-UHFFFAOYSA-N 1 2 247.294 2.259 20 10 BECDLO CC[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126591 991152466 /nfs/dbraw/zinc/15/24/66/991152466.db2.gz LQLZRPAOWVIZKG-UHFFFAOYSA-N 1 2 247.294 2.259 20 10 BECDLO CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134910284 342927948 /nfs/dbraw/zinc/92/79/48/342927948.db2.gz SXFXGWUOKTXDPD-LURJTMIESA-N 1 2 201.216 2.341 20 10 BECDLO COc1ccc(C[NH2+]CC(F)F)cc1C ZINC000147286494 187299554 /nfs/dbraw/zinc/29/95/54/187299554.db2.gz IOCMBOQPTAQVAC-UHFFFAOYSA-N 1 2 215.243 2.358 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1CCCOCC1 ZINC000162814211 350438660 /nfs/dbraw/zinc/43/86/60/350438660.db2.gz BDUBZRXYRWVUHN-UHFFFAOYSA-N 1 2 241.718 2.268 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1CCCOCC1 ZINC000162814211 350438662 /nfs/dbraw/zinc/43/86/62/350438662.db2.gz BDUBZRXYRWVUHN-UHFFFAOYSA-N 1 2 241.718 2.268 20 10 BECDLO C[C@@H](CCO)C[NH2+]Cc1cccc(Cl)c1O ZINC000162868551 384699269 /nfs/dbraw/zinc/69/92/69/384699269.db2.gz FGXOEVPFGMCBIR-VIFPVBQESA-N 1 2 243.734 2.154 20 10 BECDLO C[C@H](CCO)C[NH2+]Cc1cccc(Cl)c1O ZINC000162868671 384699679 /nfs/dbraw/zinc/69/96/79/384699679.db2.gz FGXOEVPFGMCBIR-SECBINFHSA-N 1 2 243.734 2.154 20 10 BECDLO CCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191207383 385293484 /nfs/dbraw/zinc/29/34/84/385293484.db2.gz XLFORHXRCCZXMO-QMMMGPOBSA-N 1 2 245.269 2.358 20 10 BECDLO C[N@@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000272286023 385891143 /nfs/dbraw/zinc/89/11/43/385891143.db2.gz NJWNSMHLRKGPGK-UHFFFAOYSA-N 1 2 209.264 2.373 20 10 BECDLO C[N@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000272286023 385891146 /nfs/dbraw/zinc/89/11/46/385891146.db2.gz NJWNSMHLRKGPGK-UHFFFAOYSA-N 1 2 209.264 2.373 20 10 BECDLO C[N@H+](CCCCCO)Cc1cccc(F)c1O ZINC000279164795 386643266 /nfs/dbraw/zinc/64/32/66/386643266.db2.gz BBHXDUQMMJCQSZ-UHFFFAOYSA-N 1 2 241.306 2.126 20 10 BECDLO C[N@@H+](CCCCCO)Cc1cccc(F)c1O ZINC000279164795 386643271 /nfs/dbraw/zinc/64/32/71/386643271.db2.gz BBHXDUQMMJCQSZ-UHFFFAOYSA-N 1 2 241.306 2.126 20 10 BECDLO CCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000163728370 387911386 /nfs/dbraw/zinc/91/13/86/387911386.db2.gz MODCUSKEDKFVLC-UHFFFAOYSA-N 1 2 229.707 2.172 20 10 BECDLO C[C@H]([NH2+]CCCCO)c1ccc(F)c(F)c1O ZINC000279599259 176843578 /nfs/dbraw/zinc/84/35/78/176843578.db2.gz WAEZWKYNTRJTDO-QMMMGPOBSA-N 1 2 245.269 2.094 20 10 BECDLO C[C@H]1OCC[N@H+](Cc2cccc(F)c2O)[C@@H]1C ZINC000272287907 177399472 /nfs/dbraw/zinc/39/94/72/177399472.db2.gz NTFOCUYGTNCSCZ-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@H]1OCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1C ZINC000272287907 177399474 /nfs/dbraw/zinc/39/94/74/177399474.db2.gz NTFOCUYGTNCSCZ-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO CCOC1(C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839144473 585091999 /nfs/dbraw/zinc/09/19/99/585091999.db2.gz ULIXORKETYELPM-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO Cc1ccc(O)c(C[NH+]2CC(OC(F)F)C2)c1 ZINC000839145938 585092424 /nfs/dbraw/zinc/09/24/24/585092424.db2.gz XRKTYUZUIPCCOW-UHFFFAOYSA-N 1 2 243.253 2.124 20 10 BECDLO Oc1c(F)cccc1C[NH+]1CC(C(F)F)C1 ZINC000839141304 585094612 /nfs/dbraw/zinc/09/46/12/585094612.db2.gz PCEXKFPHJPSUNS-UHFFFAOYSA-N 1 2 231.217 2.228 20 10 BECDLO CC[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756342729 585318012 /nfs/dbraw/zinc/31/80/12/585318012.db2.gz LJKIOSCYBCQVJY-VXNVDRBHSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756572083 585321498 /nfs/dbraw/zinc/32/14/98/585321498.db2.gz LOVXPCSJERGJGU-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1ccc(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000775985170 585688949 /nfs/dbraw/zinc/68/89/49/585688949.db2.gz KJLNUJKFEFWKSP-OLZOCXBDSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000775985170 585688950 /nfs/dbraw/zinc/68/89/50/585688950.db2.gz KJLNUJKFEFWKSP-OLZOCXBDSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000775985171 585689016 /nfs/dbraw/zinc/68/90/16/585689016.db2.gz KJLNUJKFEFWKSP-QWHCGFSZSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000775985171 585689017 /nfs/dbraw/zinc/68/90/17/585689017.db2.gz KJLNUJKFEFWKSP-QWHCGFSZSA-N 1 2 248.370 2.225 20 10 BECDLO CO[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000785573080 585875759 /nfs/dbraw/zinc/87/57/59/585875759.db2.gz MTMSXHCGTWMDQV-HTQZYQBOSA-N 1 2 245.269 2.356 20 10 BECDLO Cc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1O ZINC000788831056 585930834 /nfs/dbraw/zinc/93/08/34/585930834.db2.gz IIUSGLFWXNEPFY-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1O ZINC000788831056 585930835 /nfs/dbraw/zinc/93/08/35/585930835.db2.gz IIUSGLFWXNEPFY-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1O ZINC000796756923 586111491 /nfs/dbraw/zinc/11/14/91/586111491.db2.gz ZFJOWAKEVNCFPC-LBPRGKRZSA-N 1 2 249.289 2.495 20 10 BECDLO COc1ccc(C[NH2+]C(CF)CF)cc1C ZINC000824548694 587275444 /nfs/dbraw/zinc/27/54/44/587275444.db2.gz KWVCYVUGSBUKFB-UHFFFAOYSA-N 1 2 229.270 2.401 20 10 BECDLO COc1ccc2c(c1)CCC[N@H+]2CC[C@@H](C)O ZINC000827377818 587379002 /nfs/dbraw/zinc/37/90/02/587379002.db2.gz FWABSGIJUOAKHP-LLVKDONJSA-N 1 2 235.327 2.219 20 10 BECDLO COc1ccc2c(c1)CCC[N@@H+]2CC[C@@H](C)O ZINC000827377818 587379003 /nfs/dbraw/zinc/37/90/03/587379003.db2.gz FWABSGIJUOAKHP-LLVKDONJSA-N 1 2 235.327 2.219 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)C1(CO)CC1 ZINC000827903229 587408727 /nfs/dbraw/zinc/40/87/27/587408727.db2.gz GMUPJPYCJIEDKI-UHFFFAOYSA-N 1 2 241.718 2.002 20 10 BECDLO C[N@@H+](Cc1cccc(Cl)c1O)C1(CO)CC1 ZINC000827903229 587408729 /nfs/dbraw/zinc/40/87/29/587408729.db2.gz GMUPJPYCJIEDKI-UHFFFAOYSA-N 1 2 241.718 2.002 20 10 BECDLO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850528071 588557549 /nfs/dbraw/zinc/55/75/49/588557549.db2.gz FCJIUUZQWXMVEN-IONNQARKSA-N 1 2 245.269 2.092 20 10 BECDLO CCN(CC)c1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC000863644872 589306961 /nfs/dbraw/zinc/30/69/61/589306961.db2.gz JYPOGLGQUUECMM-UHFFFAOYSA-N 1 2 249.402 2.313 20 10 BECDLO CCN(CC)c1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC000863644872 589306962 /nfs/dbraw/zinc/30/69/62/589306962.db2.gz JYPOGLGQUUECMM-UHFFFAOYSA-N 1 2 249.402 2.313 20 10 BECDLO C[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876581005 590218837 /nfs/dbraw/zinc/21/88/37/590218837.db2.gz WSNIUMMXEOOZIX-UHFFFAOYSA-N 1 2 213.227 2.265 20 10 BECDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876581005 590218839 /nfs/dbraw/zinc/21/88/39/590218839.db2.gz WSNIUMMXEOOZIX-UHFFFAOYSA-N 1 2 213.227 2.265 20 10 BECDLO Cc1ccc(C[N@H+](C)Cc2nccn2C)c(O)c1 ZINC000877169406 590295905 /nfs/dbraw/zinc/29/59/05/590295905.db2.gz OLCBBNNBXVQTSU-UHFFFAOYSA-N 1 2 245.326 2.066 20 10 BECDLO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877465364 590334064 /nfs/dbraw/zinc/33/40/64/590334064.db2.gz SQMJUOZLISXEBB-JGVFFNPUSA-N 1 2 245.269 2.183 20 10 BECDLO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877541834 590351503 /nfs/dbraw/zinc/35/15/03/590351503.db2.gz SQMJUOZLISXEBB-HTQZYQBOSA-N 1 2 245.269 2.183 20 10 BECDLO CC1([NH2+]Cc2c(O)ccc(Cl)c2F)COC1 ZINC000877692010 590392477 /nfs/dbraw/zinc/39/24/77/590392477.db2.gz ZZXKSTVKVBIDSL-UHFFFAOYSA-N 1 2 245.681 2.063 20 10 BECDLO CCc1nc(C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649639 590842166 /nfs/dbraw/zinc/84/21/66/590842166.db2.gz RLTDKLWAKSJAOO-SECBINFHSA-N 1 2 247.298 2.188 20 10 BECDLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000879650601 590843766 /nfs/dbraw/zinc/84/37/66/590843766.db2.gz ITZXQCWZPALDQB-IUCAKERBSA-N 1 2 247.298 2.495 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000133262302 591780921 /nfs/dbraw/zinc/78/09/21/591780921.db2.gz TXHYCQYKGKNNBX-QWRGUYRKSA-N 1 2 241.718 2.049 20 10 BECDLO C[C@@H]([NH2+]Cc1ccon1)c1c(O)cccc1F ZINC000886536190 592251023 /nfs/dbraw/zinc/25/10/23/592251023.db2.gz CNFKOSOJLJBROU-MRVPVSSYSA-N 1 2 236.246 2.370 20 10 BECDLO Cc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000234266016 635551135 /nfs/dbraw/zinc/55/11/35/635551135.db2.gz MGBSJJCOITZCPA-UHFFFAOYSA-N 1 2 245.326 2.339 20 10 BECDLO CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309650486 632612908 /nfs/dbraw/zinc/61/29/08/632612908.db2.gz NXIKQFZOHVFDNR-SSDOTTSWSA-N 1 2 247.697 2.309 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)CCC1 ZINC000162639653 633033927 /nfs/dbraw/zinc/03/39/27/633033927.db2.gz CFKDTZJEBQLRRP-UHFFFAOYSA-N 1 2 241.718 2.050 20 10 BECDLO Cc1ncoc1C[NH2+]Cc1c(O)cccc1F ZINC000896644798 636209103 /nfs/dbraw/zinc/20/91/03/636209103.db2.gz ZHKJOQXPTFMCAM-UHFFFAOYSA-N 1 2 236.246 2.118 20 10 BECDLO CO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000706532062 712149152 /nfs/dbraw/zinc/14/91/52/712149152.db2.gz DPLQXWIWBWNIAC-MGCOHNPYSA-N 1 2 241.718 2.313 20 10 BECDLO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(F)F ZINC000389973659 712693093 /nfs/dbraw/zinc/69/30/93/712693093.db2.gz YWXQRNFUBCHMFS-ZCFIWIBFSA-N 1 2 219.206 2.275 20 10 BECDLO CC(F)(F)C[NH2+]Cc1cc(F)ccc1O ZINC000697555026 1167507221 /nfs/dbraw/zinc/50/72/21/1167507221.db2.gz YTSYXAFYGYGOBI-UHFFFAOYSA-N 1 2 219.206 2.276 20 10 BECDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000402186805 970767446 /nfs/dbraw/zinc/76/74/46/970767446.db2.gz CLOOCSYKQJEKHM-WPRPVWTQSA-N 1 2 241.718 2.313 20 10 BECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000402186800 970771228 /nfs/dbraw/zinc/77/12/28/970771228.db2.gz CLOOCSYKQJEKHM-PSASIEDQSA-N 1 2 241.718 2.313 20 10 BECDLO COc1ccc(C[NH2+]Cc2csnn2)cc1C ZINC000398485820 960690810 /nfs/dbraw/zinc/69/08/10/960690810.db2.gz UFENYOVNCMLCLR-UHFFFAOYSA-N 1 2 249.339 2.145 20 10 BECDLO Oc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000621431065 963917052 /nfs/dbraw/zinc/91/70/52/963917052.db2.gz JOYXJNGOCKIWCD-UHFFFAOYSA-N 1 2 239.278 2.303 20 10 BECDLO C[C@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000699764649 966073044 /nfs/dbraw/zinc/07/30/44/966073044.db2.gz WTHRNFCCAQFZGD-GZMMTYOYSA-N 1 2 241.718 2.170 20 10 BECDLO Oc1ccccc1C[NH+]1CC(F)(C2CC2)C1 ZINC001203550350 966676457 /nfs/dbraw/zinc/67/64/57/966676457.db2.gz SUUIDOMCMCLLIC-UHFFFAOYSA-N 1 2 221.275 2.326 20 10 BECDLO Oc1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001203550516 966681604 /nfs/dbraw/zinc/68/16/04/966681604.db2.gz WSPOGUKUJURYQB-QWRGUYRKSA-N 1 2 227.254 2.274 20 10 BECDLO Oc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001203550516 966681628 /nfs/dbraw/zinc/68/16/28/966681628.db2.gz WSPOGUKUJURYQB-QWRGUYRKSA-N 1 2 227.254 2.274 20 10 BECDLO Oc1ccc(C[N@@H+]2CCc3occc3C2)cc1O ZINC001203880353 966808004 /nfs/dbraw/zinc/80/80/04/966808004.db2.gz OVWFBZYBUTYPFD-UHFFFAOYSA-N 1 2 245.278 2.249 20 10 BECDLO Oc1ccc(C[N@H+]2CCc3occc3C2)cc1O ZINC001203880353 966808007 /nfs/dbraw/zinc/80/80/07/966808007.db2.gz OVWFBZYBUTYPFD-UHFFFAOYSA-N 1 2 245.278 2.249 20 10 BECDLO Cc1nn(C)cc1-c1[nH+]ccc2c1ccn2C ZINC001240299821 967509993 /nfs/dbraw/zinc/50/99/93/967509993.db2.gz UCSDQQKICBHGRB-UHFFFAOYSA-N 1 2 226.283 2.282 20 10 BECDLO COc1cc[nH+]cc1N(C)c1ccc(N)cc1 ZINC001176125226 977960693 /nfs/dbraw/zinc/96/06/93/977960693.db2.gz WTIZIQRPHXGFRD-UHFFFAOYSA-N 1 2 229.283 2.440 20 10 BECDLO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)C2)cc1Cl ZINC001232260421 977985556 /nfs/dbraw/zinc/98/55/56/977985556.db2.gz QABRPNGQEJWQBX-MRVPVSSYSA-N 1 2 245.681 2.295 20 10 BECDLO Oc1cc(O)c(C[N@H+]2CC[C@@H](F)C2)cc1Cl ZINC001232260421 977985565 /nfs/dbraw/zinc/98/55/65/977985565.db2.gz QABRPNGQEJWQBX-MRVPVSSYSA-N 1 2 245.681 2.295 20 10 BECDLO CCc1ccc(C[N@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001236782826 979728534 /nfs/dbraw/zinc/72/85/34/979728534.db2.gz FNMCNYYTDQGATJ-TXEJJXNPSA-N 1 2 241.281 2.446 20 10 BECDLO CCc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001236782826 979728546 /nfs/dbraw/zinc/72/85/46/979728546.db2.gz FNMCNYYTDQGATJ-TXEJJXNPSA-N 1 2 241.281 2.446 20 10 BECDLO Cc1cccc(O)c1C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001237485789 979912872 /nfs/dbraw/zinc/91/28/72/979912872.db2.gz SKNVUBATENCERG-PHIMTYICSA-N 1 2 227.254 2.192 20 10 BECDLO Cc1cccc(O)c1C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001237485789 979912877 /nfs/dbraw/zinc/91/28/77/979912877.db2.gz SKNVUBATENCERG-PHIMTYICSA-N 1 2 227.254 2.192 20 10 BECDLO Cc1coc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC001237648813 980001352 /nfs/dbraw/zinc/00/13/52/980001352.db2.gz JHHBSXSKUODRGH-UHFFFAOYSA-N 1 2 232.283 2.321 20 10 BECDLO Cc1coc(C[N@H+](C)Cc2ccccc2O)n1 ZINC001237648813 980001355 /nfs/dbraw/zinc/00/13/55/980001355.db2.gz JHHBSXSKUODRGH-UHFFFAOYSA-N 1 2 232.283 2.321 20 10 BECDLO COc1cc(C)cc(C[NH2+]CC(F)F)c1O ZINC001350320109 981922646 /nfs/dbraw/zinc/92/26/46/981922646.db2.gz UNZYFTANYYPJIZ-UHFFFAOYSA-N 1 2 231.242 2.064 20 10 BECDLO Oc1cc(F)c(F)cc1C[NH2+]C(CF)CF ZINC001462273381 986334543 /nfs/dbraw/zinc/33/45/43/986334543.db2.gz SHGWVGIIFCCJAA-UHFFFAOYSA-N 1 2 237.196 2.068 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@H](C)O1 ZINC001137831536 990854528 /nfs/dbraw/zinc/85/45/28/990854528.db2.gz DEYAYHCAHLBIHA-AOOOYVTPSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)C[C@H](C)O1 ZINC001137831536 990854530 /nfs/dbraw/zinc/85/45/30/990854530.db2.gz DEYAYHCAHLBIHA-AOOOYVTPSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831846 990857669 /nfs/dbraw/zinc/85/76/69/990857669.db2.gz PRFNPENZYQWOSG-RKDXNWHRSA-N 1 2 227.254 2.464 20 10 BECDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(O)cccc1F ZINC001137831846 990857670 /nfs/dbraw/zinc/85/76/70/990857670.db2.gz PRFNPENZYQWOSG-RKDXNWHRSA-N 1 2 227.254 2.464 20 10 BECDLO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(F)F ZINC001308914411 991210629 /nfs/dbraw/zinc/21/06/29/991210629.db2.gz ODXKXMOEQPFDJL-RXMQYKEDSA-N 1 2 237.196 2.414 20 10 BECDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140462893 991644201 /nfs/dbraw/zinc/64/42/01/991644201.db2.gz NOFDCPLTXGXPRJ-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140462893 991644203 /nfs/dbraw/zinc/64/42/03/991644203.db2.gz NOFDCPLTXGXPRJ-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO Nc1[nH+]cccc1OCc1ccccc1F ZINC000020483727 1170112884 /nfs/dbraw/zinc/11/28/84/1170112884.db2.gz XEXRXNTWCCSPGJ-UHFFFAOYSA-N 1 2 218.231 2.382 20 10 BECDLO Cc1cc(C[N@@H+](C)Cc2ccc(N)cc2)no1 ZINC000036198457 1170198868 /nfs/dbraw/zinc/19/88/68/1170198868.db2.gz VLLZCAUCZDODHZ-UHFFFAOYSA-N 1 2 231.299 2.197 20 10 BECDLO Cc1cc(C[N@H+](C)Cc2ccc(N)cc2)no1 ZINC000036198457 1170198870 /nfs/dbraw/zinc/19/88/70/1170198870.db2.gz VLLZCAUCZDODHZ-UHFFFAOYSA-N 1 2 231.299 2.197 20 10 BECDLO CC[C@H]([NH2+]CCCO)c1cccc(Cl)c1O ZINC000286946218 398135847 /nfs/dbraw/zinc/13/58/47/398135847.db2.gz MLBDDUKRGXQHFN-NSHDSACASA-N 1 2 243.734 2.469 20 10 BECDLO CC(C)[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000132484811 191103085 /nfs/dbraw/zinc/10/30/85/191103085.db2.gz AKACCQVKBFHPJP-UHFFFAOYSA-N 1 2 243.734 2.248 20 10 BECDLO CC(C)[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000132484811 191103088 /nfs/dbraw/zinc/10/30/88/191103088.db2.gz AKACCQVKBFHPJP-UHFFFAOYSA-N 1 2 243.734 2.248 20 10 BECDLO OCCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294819832 183053069 /nfs/dbraw/zinc/05/30/69/183053069.db2.gz XLTOGTMYFXUUIP-UHFFFAOYSA-N 1 2 247.697 2.047 20 10 BECDLO COC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000162833132 384694527 /nfs/dbraw/zinc/69/45/27/384694527.db2.gz ZANKVYLOLJEZJF-VIFPVBQESA-N 1 2 243.734 2.418 20 10 BECDLO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187720623 384974392 /nfs/dbraw/zinc/97/43/92/384974392.db2.gz RAXABIXESQUXJY-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187727974 384975163 /nfs/dbraw/zinc/97/51/63/384975163.db2.gz BUKVUNQUKJRHRF-HTQZYQBOSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1nc(C(C)(C)[NH2+]Cc2ccccc2O)no1 ZINC000264253233 386221129 /nfs/dbraw/zinc/22/11/29/386221129.db2.gz BJMGGRUICONADP-UHFFFAOYSA-N 1 2 247.298 2.109 20 10 BECDLO CO[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276238791 386289593 /nfs/dbraw/zinc/28/95/93/386289593.db2.gz AWDIDOXHROKSJJ-HTQZYQBOSA-N 1 2 245.269 2.356 20 10 BECDLO CC1(C[NH2+]Cc2cccc(Cl)c2O)COC1 ZINC000162863380 168043047 /nfs/dbraw/zinc/04/30/47/168043047.db2.gz JSUAXRQWEYPUHW-UHFFFAOYSA-N 1 2 241.718 2.172 20 10 BECDLO COc1ccc(N(C)Cc2c[nH+]cn2C)cc1F ZINC000121731552 175136031 /nfs/dbraw/zinc/13/60/31/175136031.db2.gz VYTSAPGKMNOLJD-UHFFFAOYSA-N 1 2 249.289 2.204 20 10 BECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000493038529 528911357 /nfs/dbraw/zinc/91/13/57/528911357.db2.gz IPNPJKWSKGPANE-HJWRWDBZSA-N 1 2 241.294 2.476 20 10 BECDLO COC1(C)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000839101862 585090949 /nfs/dbraw/zinc/09/09/49/585090949.db2.gz IKQSALBXJXSZBB-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]([NH2+]CC(C)(C)O)c1cc(F)cc(F)c1O ZINC000756562653 585321177 /nfs/dbraw/zinc/32/11/77/585321177.db2.gz HVMIASNWXRGCBY-ZETCQYMHSA-N 1 2 245.269 2.092 20 10 BECDLO COCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647842 585682280 /nfs/dbraw/zinc/68/22/80/585682280.db2.gz CVKFXEBEWHCHMW-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO COCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647842 585682281 /nfs/dbraw/zinc/68/22/81/585682281.db2.gz CVKFXEBEWHCHMW-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO Cc1cc(Cn2cc[nH+]c2)ccc1N(C)C ZINC000814755301 586632458 /nfs/dbraw/zinc/63/24/58/586632458.db2.gz AYYGNNPSSKUHDR-UHFFFAOYSA-N 1 2 215.300 2.306 20 10 BECDLO CC[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000824534066 587274502 /nfs/dbraw/zinc/27/45/02/587274502.db2.gz ZKYYPODDANCATM-JTQLQIEISA-N 1 2 243.734 2.248 20 10 BECDLO CC[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000824534066 587274503 /nfs/dbraw/zinc/27/45/03/587274503.db2.gz ZKYYPODDANCATM-JTQLQIEISA-N 1 2 243.734 2.248 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C(CF)CF ZINC000824554259 587276024 /nfs/dbraw/zinc/27/60/24/587276024.db2.gz DFHANRPEJZPJSH-UHFFFAOYSA-N 1 2 235.661 2.443 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2cc(C)ccc2O)no1 ZINC000827891148 587408511 /nfs/dbraw/zinc/40/85/11/587408511.db2.gz BHKYWIQMAGUJSZ-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2cc(C)ccc2O)no1 ZINC000827891148 587408513 /nfs/dbraw/zinc/40/85/13/587408513.db2.gz BHKYWIQMAGUJSZ-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO CC[N@H+](CC[C@@H](C)O)c1ccc(OC)cc1 ZINC000828172540 587422844 /nfs/dbraw/zinc/42/28/44/587422844.db2.gz HCOXFEUYMCADNL-LLVKDONJSA-N 1 2 223.316 2.292 20 10 BECDLO CC[N@@H+](CC[C@@H](C)O)c1ccc(OC)cc1 ZINC000828172540 587422845 /nfs/dbraw/zinc/42/28/45/587422845.db2.gz HCOXFEUYMCADNL-LLVKDONJSA-N 1 2 223.316 2.292 20 10 BECDLO COc1ccc([N@H+](C)CC2(C)COC2)cc1 ZINC000844353771 588186751 /nfs/dbraw/zinc/18/67/51/588186751.db2.gz ZXDCUEYKQWYPID-UHFFFAOYSA-N 1 2 221.300 2.168 20 10 BECDLO COc1ccc([N@@H+](C)CC2(C)COC2)cc1 ZINC000844353771 588186752 /nfs/dbraw/zinc/18/67/52/588186752.db2.gz ZXDCUEYKQWYPID-UHFFFAOYSA-N 1 2 221.300 2.168 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2ccccc2O)[nH]c1C ZINC000862228894 589195529 /nfs/dbraw/zinc/19/55/29/589195529.db2.gz ZVDHDMSBPGSVPZ-UHFFFAOYSA-N 1 2 245.326 2.364 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2ccccc2O)[nH]c1C ZINC000862228894 589195530 /nfs/dbraw/zinc/19/55/30/589195530.db2.gz ZVDHDMSBPGSVPZ-UHFFFAOYSA-N 1 2 245.326 2.364 20 10 BECDLO Cc1[nH]c(CN(C)Cc2ccccc2O)[nH+]c1C ZINC000862228894 589195531 /nfs/dbraw/zinc/19/55/31/589195531.db2.gz ZVDHDMSBPGSVPZ-UHFFFAOYSA-N 1 2 245.326 2.364 20 10 BECDLO CC1C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000877488536 590338467 /nfs/dbraw/zinc/33/84/67/590338467.db2.gz LMPJKHLNDOJIJI-UHFFFAOYSA-N 1 2 213.227 2.122 20 10 BECDLO Cc1ccc(C[NH2+]CC(F)F)c(O)c1 ZINC000877518944 590345316 /nfs/dbraw/zinc/34/53/16/590345316.db2.gz VMNCLMSBSNDROP-UHFFFAOYSA-N 1 2 201.216 2.055 20 10 BECDLO Cc1ncc(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877703271 590396598 /nfs/dbraw/zinc/39/65/98/590396598.db2.gz ZGMPINJPWOQIRB-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Cc1ncc(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877703271 590396601 /nfs/dbraw/zinc/39/66/01/590396601.db2.gz ZGMPINJPWOQIRB-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Oc1cccc2c1C[N@H+](Cc1ccns1)C2 ZINC000877703077 590396747 /nfs/dbraw/zinc/39/67/47/590396747.db2.gz QDFCMVXQOVVSLH-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1cccc2c1C[N@@H+](Cc1ccns1)C2 ZINC000877703077 590396749 /nfs/dbraw/zinc/39/67/49/590396749.db2.gz QDFCMVXQOVVSLH-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO C[C@@H](C[NH+](C)C)NCc1c(O)cccc1Cl ZINC000130242529 591450194 /nfs/dbraw/zinc/45/01/94/591450194.db2.gz KZCLUEHSMKGDEQ-VIFPVBQESA-N 1 2 242.750 2.085 20 10 BECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000132477075 591711611 /nfs/dbraw/zinc/71/16/11/591711611.db2.gz MKRMBMPMXHAITB-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000132477075 591711614 /nfs/dbraw/zinc/71/16/14/591711614.db2.gz MKRMBMPMXHAITB-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO CC(C)(CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000162872752 633041188 /nfs/dbraw/zinc/04/11/88/633041188.db2.gz SZQVKMNWWSMEFX-UHFFFAOYSA-N 1 2 243.734 2.154 20 10 BECDLO C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000164561359 633079779 /nfs/dbraw/zinc/07/97/79/633079779.db2.gz HFNWEUYBHOPXOG-DTWKUNHWSA-N 1 2 243.734 2.295 20 10 BECDLO Cc1cc(N(C)C)ccc1C[NH2+]C(CF)CF ZINC000840950626 635344239 /nfs/dbraw/zinc/34/42/39/635344239.db2.gz MALBWOSXHVUYIP-UHFFFAOYSA-N 1 2 242.313 2.458 20 10 BECDLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1O ZINC000041014256 641538824 /nfs/dbraw/zinc/53/88/24/641538824.db2.gz CDPFKHKNECEXJG-LBPRGKRZSA-N 1 2 231.299 2.356 20 10 BECDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000041015012 643492572 /nfs/dbraw/zinc/49/25/72/643492572.db2.gz FIWAYRATFFTSKA-SNVBAGLBSA-N 1 2 231.299 2.275 20 10 BECDLO c1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)co1 ZINC000921715494 643761840 /nfs/dbraw/zinc/76/18/40/643761840.db2.gz TUNFCTNGTPGHOI-UHFFFAOYSA-N 1 2 244.294 2.289 20 10 BECDLO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381197142 710608473 /nfs/dbraw/zinc/60/84/73/710608473.db2.gz BIUMWNGPWWLNKL-VIFPVBQESA-N 1 2 247.697 2.045 20 10 BECDLO COc1ccc(O)c(C[NH2+]CC(C)(F)F)c1 ZINC000700079375 711985497 /nfs/dbraw/zinc/98/54/97/711985497.db2.gz APEJKGCIEXUCLW-UHFFFAOYSA-N 1 2 231.242 2.146 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000708382825 712191835 /nfs/dbraw/zinc/19/18/35/712191835.db2.gz IKILBALQZCIBSU-MRVPVSSYSA-N 1 2 231.217 2.214 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](F)C1 ZINC000708382825 712191836 /nfs/dbraw/zinc/19/18/36/712191836.db2.gz IKILBALQZCIBSU-MRVPVSSYSA-N 1 2 231.217 2.214 20 10 BECDLO Cn1ccc2c1nccc2-c1ccc[nH+]c1N ZINC001243477552 970771536 /nfs/dbraw/zinc/77/15/36/970771536.db2.gz SUCUDAMJAJWEGK-UHFFFAOYSA-N 1 2 224.267 2.218 20 10 BECDLO COc1cc[nH+]cc1Nc1ccc(N)cc1 ZINC000309435753 959875556 /nfs/dbraw/zinc/87/55/56/959875556.db2.gz MTFYAEXSHPNLOM-UHFFFAOYSA-N 1 2 215.256 2.416 20 10 BECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](F)C1 ZINC001142509131 964343370 /nfs/dbraw/zinc/34/33/70/964343370.db2.gz XWTQGKHDZIXERP-QMMMGPOBSA-N 1 2 231.217 2.214 20 10 BECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](F)C1 ZINC001142509131 964343384 /nfs/dbraw/zinc/34/33/84/964343384.db2.gz XWTQGKHDZIXERP-QMMMGPOBSA-N 1 2 231.217 2.214 20 10 BECDLO C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000699764651 966071437 /nfs/dbraw/zinc/07/14/37/966071437.db2.gz WTHRNFCCAQFZGD-KCJUWKMLSA-N 1 2 241.718 2.170 20 10 BECDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203880363 966810556 /nfs/dbraw/zinc/81/05/56/966810556.db2.gz PJUZDEDYIXKUHM-GFCCVEGCSA-N 1 2 249.310 2.041 20 10 BECDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880363 966810553 /nfs/dbraw/zinc/81/05/53/966810553.db2.gz PJUZDEDYIXKUHM-GFCCVEGCSA-N 1 2 249.310 2.041 20 10 BECDLO COc1cc[nH+]cc1NCc1ccc(O)c(O)c1 ZINC001169992646 969958898 /nfs/dbraw/zinc/95/88/98/969958898.db2.gz JIEYGSJVPIMFOW-UHFFFAOYSA-N 1 2 246.266 2.114 20 10 BECDLO CCc1[nH]ncc1C[N@H+](C)Cc1ccccc1O ZINC001237657530 980024779 /nfs/dbraw/zinc/02/47/79/980024779.db2.gz FTJWKLKXBRVQEX-UHFFFAOYSA-N 1 2 245.326 2.310 20 10 BECDLO CCc1[nH]ncc1C[N@@H+](C)Cc1ccccc1O ZINC001237657530 980024789 /nfs/dbraw/zinc/02/47/89/980024789.db2.gz FTJWKLKXBRVQEX-UHFFFAOYSA-N 1 2 245.326 2.310 20 10 BECDLO CC(C)Cn1ccc(-c2ccc[nH+]c2N)cc1=O ZINC001243477236 985037644 /nfs/dbraw/zinc/03/76/44/985037644.db2.gz NLVVLVCPLSUMCX-UHFFFAOYSA-N 1 2 243.310 2.149 20 10 BECDLO CC[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839254 990859193 /nfs/dbraw/zinc/85/91/93/990859193.db2.gz YKIXHBAUVKBXTQ-SNVBAGLBSA-N 1 2 239.290 2.142 20 10 BECDLO CC[C@@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137839254 990859194 /nfs/dbraw/zinc/85/91/94/990859194.db2.gz YKIXHBAUVKBXTQ-SNVBAGLBSA-N 1 2 239.290 2.142 20 10 BECDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138123891 990885994 /nfs/dbraw/zinc/88/59/94/990885994.db2.gz QBAXIEDZWHPKQZ-VIFPVBQESA-N 1 2 237.274 2.085 20 10 BECDLO C[C@H]1CC(=O)CC[N@H+]1Cc1cccc(F)c1O ZINC001138123891 990885996 /nfs/dbraw/zinc/88/59/96/990885996.db2.gz QBAXIEDZWHPKQZ-VIFPVBQESA-N 1 2 237.274 2.085 20 10 BECDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055231 991509685 /nfs/dbraw/zinc/50/96/85/991509685.db2.gz OGUVXSYLGMEFTK-VIFPVBQESA-N 1 2 237.274 2.085 20 10 BECDLO C[C@H]1CC(=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140055231 991509696 /nfs/dbraw/zinc/50/96/96/991509696.db2.gz OGUVXSYLGMEFTK-VIFPVBQESA-N 1 2 237.274 2.085 20 10 BECDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140462892 991643130 /nfs/dbraw/zinc/64/31/30/991643130.db2.gz NOFDCPLTXGXPRJ-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140462892 991643138 /nfs/dbraw/zinc/64/31/38/991643138.db2.gz NOFDCPLTXGXPRJ-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO Oc1cccc2c1C[N@H+](Cc1ccc(F)nc1)C2 ZINC001621490561 1170829485 /nfs/dbraw/zinc/82/94/85/1170829485.db2.gz FCGBQFKGKYUPQW-UHFFFAOYSA-N 1 2 244.269 2.442 20 10 BECDLO Oc1cccc2c1C[N@@H+](Cc1ccc(F)nc1)C2 ZINC001621490561 1170829494 /nfs/dbraw/zinc/82/94/94/1170829494.db2.gz FCGBQFKGKYUPQW-UHFFFAOYSA-N 1 2 244.269 2.442 20 10 BECDLO Cc1cc(Cl)cc(C[NH+]2CCOCC2)c1O ZINC000183370220 178063640 /nfs/dbraw/zinc/06/36/40/178063640.db2.gz CGOZQQATZXGVLI-UHFFFAOYSA-N 1 2 241.718 2.186 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](O)C1 ZINC000132480843 191103054 /nfs/dbraw/zinc/10/30/54/191103054.db2.gz JYCIRLIOAGJPOB-JTQLQIEISA-N 1 2 241.718 2.002 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000132480843 191103056 /nfs/dbraw/zinc/10/30/56/191103056.db2.gz JYCIRLIOAGJPOB-JTQLQIEISA-N 1 2 241.718 2.002 20 10 BECDLO CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191186991 353446750 /nfs/dbraw/zinc/44/67/50/353446750.db2.gz RTQXYFFRQCKSLP-ZCFIWIBFSA-N 1 2 201.216 2.341 20 10 BECDLO CCN(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162833745 384694502 /nfs/dbraw/zinc/69/45/02/384694502.db2.gz HFOOYLQGPNFWET-UHFFFAOYSA-N 1 2 242.750 2.087 20 10 BECDLO C[N@H+](Cc1ccon1)Cc1cc(F)ccc1O ZINC000272267557 385889325 /nfs/dbraw/zinc/88/93/25/385889325.db2.gz KXMXZNCSOOOGDI-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO C[N@@H+](Cc1ccon1)Cc1cc(F)ccc1O ZINC000272267557 385889329 /nfs/dbraw/zinc/88/93/29/385889329.db2.gz KXMXZNCSOOOGDI-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO c1csc(SCCn2cc[nH+]c2)n1 ZINC000121903000 385873598 /nfs/dbraw/zinc/87/35/98/385873598.db2.gz NQTBJXZMXJIZMJ-UHFFFAOYSA-N 1 2 211.315 2.132 20 10 BECDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2O)C1 ZINC000289319602 386285478 /nfs/dbraw/zinc/28/54/78/386285478.db2.gz FOYGCJDBHDNTMU-PHIMTYICSA-N 1 2 239.290 2.141 20 10 BECDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2O)C1 ZINC000289319602 386285484 /nfs/dbraw/zinc/28/54/84/386285484.db2.gz FOYGCJDBHDNTMU-PHIMTYICSA-N 1 2 239.290 2.141 20 10 BECDLO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276238799 386290937 /nfs/dbraw/zinc/29/09/37/386290937.db2.gz AWDIDOXHROKSJJ-SFYZADRCSA-N 1 2 245.269 2.356 20 10 BECDLO CN(C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000289388833 386295521 /nfs/dbraw/zinc/29/55/21/386295521.db2.gz MHMQOPUYXSVKQF-UHFFFAOYSA-N 1 2 231.299 2.065 20 10 BECDLO CC[N@@H+](Cc1cc(OC)ccc1O)CC(F)F ZINC000184090784 169901807 /nfs/dbraw/zinc/90/18/07/169901807.db2.gz OTXORXLLRQJKEB-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO CC[N@H+](Cc1cc(OC)ccc1O)CC(F)F ZINC000184090784 169901810 /nfs/dbraw/zinc/90/18/10/169901810.db2.gz OTXORXLLRQJKEB-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO COc1ccc(O)c(C[N@@H+]2CCC=C(F)C2)c1 ZINC000272872174 175158220 /nfs/dbraw/zinc/15/82/20/175158220.db2.gz WLVLZEQSKDPISN-UHFFFAOYSA-N 1 2 237.274 2.460 20 10 BECDLO COc1ccc(O)c(C[N@H+]2CCC=C(F)C2)c1 ZINC000272872174 175158221 /nfs/dbraw/zinc/15/82/21/175158221.db2.gz WLVLZEQSKDPISN-UHFFFAOYSA-N 1 2 237.274 2.460 20 10 BECDLO COc1ccc(O)c(CNc2cc(C)[nH+]cn2)c1 ZINC000301302024 175159511 /nfs/dbraw/zinc/15/95/11/175159511.db2.gz VNLCOZUEAJMVJY-UHFFFAOYSA-N 1 2 245.282 2.111 20 10 BECDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)[C@@H](C)CO1 ZINC000226379885 177264366 /nfs/dbraw/zinc/26/43/66/177264366.db2.gz NCPVAFHGTBOLJL-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)[C@@H](C)CO1 ZINC000226379885 177264367 /nfs/dbraw/zinc/26/43/67/177264367.db2.gz NCPVAFHGTBOLJL-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000775985519 583108477 /nfs/dbraw/zinc/10/84/77/583108477.db2.gz MBVSYYONAHWEBO-STQMWFEESA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000775985519 583108479 /nfs/dbraw/zinc/10/84/79/583108479.db2.gz MBVSYYONAHWEBO-STQMWFEESA-N 1 2 248.370 2.225 20 10 BECDLO Oc1c(C[NH+]2CC3(CC3)C2)ccc(F)c1F ZINC000877555936 583327467 /nfs/dbraw/zinc/32/74/67/583327467.db2.gz HCHILFJNPKBFLK-UHFFFAOYSA-N 1 2 225.238 2.266 20 10 BECDLO Cc1nc(C[NH2+]Cc2c(O)cccc2F)[nH]c1C ZINC000896639894 583820274 /nfs/dbraw/zinc/82/02/74/583820274.db2.gz YZTUYIXXJKVMRT-UHFFFAOYSA-N 1 2 249.289 2.161 20 10 BECDLO COC1(C)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839101374 585090937 /nfs/dbraw/zinc/09/09/37/585090937.db2.gz ANEULRGMAFAEGP-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO COC1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839131393 585093695 /nfs/dbraw/zinc/09/36/95/585093695.db2.gz TZSAHJKEYUCEDN-PLNGDYQASA-N 1 2 246.354 2.096 20 10 BECDLO COCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756344772 585317976 /nfs/dbraw/zinc/31/79/76/585317976.db2.gz SDFLUCRLBHLUDA-MRVPVSSYSA-N 1 2 245.269 2.358 20 10 BECDLO COC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756339580 585318113 /nfs/dbraw/zinc/31/81/13/585318113.db2.gz CGFBBLKIXKCABS-JGVFFNPUSA-N 1 2 245.269 2.356 20 10 BECDLO C[C@@H]([NH2+]CC(C)(C)O)c1cc(F)cc(F)c1O ZINC000756562652 585321319 /nfs/dbraw/zinc/32/13/19/585321319.db2.gz HVMIASNWXRGCBY-SSDOTTSWSA-N 1 2 245.269 2.092 20 10 BECDLO CC[C@H]([NH2+]CC(F)(F)CN)c1ccccc1O ZINC000817965840 586854766 /nfs/dbraw/zinc/85/47/66/586854766.db2.gz DAHBPKGJZMDECO-JTQLQIEISA-N 1 2 244.285 2.027 20 10 BECDLO C[C@@H](O)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000827585706 587390374 /nfs/dbraw/zinc/39/03/74/587390374.db2.gz OILLCVSSFDWAAT-MRVPVSSYSA-N 1 2 241.718 2.049 20 10 BECDLO Cc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059984 587941113 /nfs/dbraw/zinc/94/11/13/587941113.db2.gz ZHWSVZKLAOUWNQ-IINYFYTJSA-N 1 2 248.370 2.097 20 10 BECDLO C[C@@H](NCc1c(O)ccc(Cl)c1F)[C@H](C)[NH3+] ZINC000841076623 587943482 /nfs/dbraw/zinc/94/34/82/587943482.db2.gz KIKLMZPLUAYGCA-NKWVEPMBSA-N 1 2 246.713 2.010 20 10 BECDLO Cc1noc(C[N@@H+](C)Cc2ccc(C)cc2O)n1 ZINC000877618870 590375407 /nfs/dbraw/zinc/37/54/07/590375407.db2.gz HMHIRGDPINCCPY-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1noc(C[N@H+](C)Cc2ccc(C)cc2O)n1 ZINC000877618870 590375410 /nfs/dbraw/zinc/37/54/10/590375410.db2.gz HMHIRGDPINCCPY-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Oc1c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877649618 590384555 /nfs/dbraw/zinc/38/45/55/590384555.db2.gz CJRQYZLAGDXUHE-DTORHVGOSA-N 1 2 225.238 2.122 20 10 BECDLO Oc1c(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000877649618 590384557 /nfs/dbraw/zinc/38/45/57/590384557.db2.gz CJRQYZLAGDXUHE-DTORHVGOSA-N 1 2 225.238 2.122 20 10 BECDLO CCc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000134588548 591939615 /nfs/dbraw/zinc/93/96/15/591939615.db2.gz BCPDGAKGROPLFK-UHFFFAOYSA-N 1 2 229.283 2.357 20 10 BECDLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000839517752 644558366 /nfs/dbraw/zinc/55/83/66/644558366.db2.gz UOSJUOVSLYNJPQ-VIFPVBQESA-N 1 2 246.314 2.012 20 10 BECDLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000839517752 644558367 /nfs/dbraw/zinc/55/83/67/644558367.db2.gz UOSJUOVSLYNJPQ-VIFPVBQESA-N 1 2 246.314 2.012 20 10 BECDLO CC(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708558856 712212933 /nfs/dbraw/zinc/21/29/33/712212933.db2.gz LSWNUAPEGHUPNA-UHFFFAOYSA-N 1 2 201.216 2.168 20 10 BECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(F)F ZINC000389934337 711098755 /nfs/dbraw/zinc/09/87/55/711098755.db2.gz HIGNZEZUVGLMIM-MRVPVSSYSA-N 1 2 227.254 2.365 20 10 BECDLO CC[N@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000703518469 712078098 /nfs/dbraw/zinc/07/80/98/712078098.db2.gz RELQMKXTGVVPNC-UHFFFAOYSA-N 1 2 245.269 2.139 20 10 BECDLO CC[N@@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000703518469 712078099 /nfs/dbraw/zinc/07/80/99/712078099.db2.gz RELQMKXTGVVPNC-UHFFFAOYSA-N 1 2 245.269 2.139 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+]C1CC=CC1 ZINC000708390298 712191957 /nfs/dbraw/zinc/19/19/57/712191957.db2.gz OIUUAZZPFRJMII-UHFFFAOYSA-N 1 2 225.238 2.479 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1C=CCC1 ZINC000708501776 712212265 /nfs/dbraw/zinc/21/22/65/712212265.db2.gz ISQNWVBLMMXAKL-JTQLQIEISA-N 1 2 225.238 2.479 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715294156 712515652 /nfs/dbraw/zinc/51/56/52/712515652.db2.gz OGMPWYPUNQHUDA-SNVBAGLBSA-N 1 2 225.238 2.313 20 10 BECDLO COC1(C)C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238058214 980132376 /nfs/dbraw/zinc/13/23/76/980132376.db2.gz PLSCGITVZLXLOH-UHFFFAOYSA-N 1 2 239.290 2.060 20 10 BECDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000402186801 970768074 /nfs/dbraw/zinc/76/80/74/970768074.db2.gz CLOOCSYKQJEKHM-SCZZXKLOSA-N 1 2 241.718 2.313 20 10 BECDLO COc1ccc[nH+]c1NCc1ccc(O)c(O)c1 ZINC001158994747 963968520 /nfs/dbraw/zinc/96/85/20/963968520.db2.gz UGYRSGWMOCGLSZ-UHFFFAOYSA-N 1 2 246.266 2.114 20 10 BECDLO COC1C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237680610 966690052 /nfs/dbraw/zinc/69/00/52/966690052.db2.gz DVWSBJMKZFAQQQ-UHFFFAOYSA-N 1 2 241.718 2.185 20 10 BECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)[C@H](C)CO1 ZINC001137839745 967921743 /nfs/dbraw/zinc/92/17/43/967921743.db2.gz IIVOLEHLXXYHNE-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)[C@H](C)CO1 ZINC001137839745 967921755 /nfs/dbraw/zinc/92/17/55/967921755.db2.gz IIVOLEHLXXYHNE-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO CN(C)c1ccc(Nc2cccc(O)c2O)c[nH+]1 ZINC001175343846 977366744 /nfs/dbraw/zinc/36/67/44/977366744.db2.gz QXKOTNUCVMUYTO-UHFFFAOYSA-N 1 2 245.282 2.302 20 10 BECDLO COCC[N@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237808747 980061467 /nfs/dbraw/zinc/06/14/67/980061467.db2.gz WDWGSNZXKCNDNU-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO COCC[N@@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237808747 980061477 /nfs/dbraw/zinc/06/14/77/980061477.db2.gz WDWGSNZXKCNDNU-UHFFFAOYSA-N 1 2 247.697 2.263 20 10 BECDLO Cn1ccc2ncc(-c3ccc[nH+]c3N)cc21 ZINC001243473290 985025942 /nfs/dbraw/zinc/02/59/42/985025942.db2.gz KBNSUNRAVAXMMW-UHFFFAOYSA-N 1 2 224.267 2.218 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](F)C1 ZINC001137833225 990853808 /nfs/dbraw/zinc/85/38/08/990853808.db2.gz XPEHYYOTFOCOMO-MRVPVSSYSA-N 1 2 213.227 2.075 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1CC[C@@H](F)C1 ZINC001137833225 990853810 /nfs/dbraw/zinc/85/38/10/990853810.db2.gz XPEHYYOTFOCOMO-MRVPVSSYSA-N 1 2 213.227 2.075 20 10 BECDLO Oc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138123811 990885908 /nfs/dbraw/zinc/88/59/08/990885908.db2.gz MXKRVSOHNAPZFB-NHCYSSNCSA-N 1 2 239.265 2.321 20 10 BECDLO C[N@H+](Cc1ccno1)Cc1cccc(F)c1O ZINC001138129605 990885963 /nfs/dbraw/zinc/88/59/63/990885963.db2.gz MKJJTTBPEJOCGK-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO C[N@@H+](Cc1ccno1)Cc1cccc(F)c1O ZINC001138129605 990885964 /nfs/dbraw/zinc/88/59/64/990885964.db2.gz MKJJTTBPEJOCGK-UHFFFAOYSA-N 1 2 236.246 2.151 20 10 BECDLO Oc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138123810 990887066 /nfs/dbraw/zinc/88/70/66/990887066.db2.gz MXKRVSOHNAPZFB-JBLDHEPKSA-N 1 2 239.265 2.321 20 10 BECDLO CCCOC1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138127444 990887158 /nfs/dbraw/zinc/88/71/58/990887158.db2.gz BRKBAOLHZSSPBY-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC1 ZINC001139126565 991154494 /nfs/dbraw/zinc/15/44/94/991154494.db2.gz KSDFBRUDLZGGFN-UHFFFAOYSA-N 1 2 245.278 2.013 20 10 BECDLO Cc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)ccc1N(C)C ZINC001139674112 991310473 /nfs/dbraw/zinc/31/04/73/991310473.db2.gz QAVUHYSSDYEWOI-CABCVRRESA-N 1 2 246.354 2.034 20 10 BECDLO Cc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)ccc1N(C)C ZINC001139674112 991310484 /nfs/dbraw/zinc/31/04/84/991310484.db2.gz QAVUHYSSDYEWOI-CABCVRRESA-N 1 2 246.354 2.034 20 10 BECDLO Cc1nc(NCc2ccc(N(C)C)cc2)cc[nH+]1 ZINC000266131273 180200972 /nfs/dbraw/zinc/20/09/72/180200972.db2.gz OMEYCLYAVASRBJ-UHFFFAOYSA-N 1 2 242.326 2.463 20 10 BECDLO CCC[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000132483802 169166653 /nfs/dbraw/zinc/16/66/53/169166653.db2.gz UDLQWFWYNUCSMS-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO CCC[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000132483802 169166654 /nfs/dbraw/zinc/16/66/54/169166654.db2.gz UDLQWFWYNUCSMS-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617744 384307589 /nfs/dbraw/zinc/30/75/89/384307589.db2.gz LXBJPEZPCMEHML-SECBINFHSA-N 1 2 249.289 2.414 20 10 BECDLO CC[C@](C)(CO)[NH2+]Cc1cccc(Cl)c1O ZINC000163727832 384851467 /nfs/dbraw/zinc/85/14/67/384851467.db2.gz POHWALGWWRYLFC-GFCCVEGCSA-N 1 2 243.734 2.296 20 10 BECDLO CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000165417879 385123700 /nfs/dbraw/zinc/12/37/00/385123700.db2.gz UMSGXLKSTFZTBB-UHFFFAOYSA-N 1 2 242.750 2.039 20 10 BECDLO CN(C)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000165417879 385123702 /nfs/dbraw/zinc/12/37/02/385123702.db2.gz UMSGXLKSTFZTBB-UHFFFAOYSA-N 1 2 242.750 2.039 20 10 BECDLO CN(C)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000165417879 385123708 /nfs/dbraw/zinc/12/37/08/385123708.db2.gz UMSGXLKSTFZTBB-UHFFFAOYSA-N 1 2 242.750 2.039 20 10 BECDLO COC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000293720858 386866792 /nfs/dbraw/zinc/86/67/92/386866792.db2.gz TZBZXBONVGNGFU-SNVBAGLBSA-N 1 2 241.718 2.266 20 10 BECDLO COC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000293720858 386866793 /nfs/dbraw/zinc/86/67/93/386866793.db2.gz TZBZXBONVGNGFU-SNVBAGLBSA-N 1 2 241.718 2.266 20 10 BECDLO CC[C@H]([NH2+]C[C@@H](C)O)c1cccc(Cl)c1O ZINC000287130503 387377848 /nfs/dbraw/zinc/37/78/48/387377848.db2.gz YQZJNFQXJSHELQ-KCJUWKMLSA-N 1 2 243.734 2.467 20 10 BECDLO Cc1cc(N(C)C)ccc1C[NH2+]CC(F)F ZINC000840947349 583176679 /nfs/dbraw/zinc/17/66/79/583176679.db2.gz PCQNFENYQRDKMO-UHFFFAOYSA-N 1 2 228.286 2.416 20 10 BECDLO Cc1ccc(O)c(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894583448 583489279 /nfs/dbraw/zinc/48/92/79/583489279.db2.gz ALLWPLGFHSETJT-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1ccc(O)c(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894583448 583489280 /nfs/dbraw/zinc/48/92/80/583489280.db2.gz ALLWPLGFHSETJT-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1cc(O)c(C[N@H+](C)Cc2ncc[nH]2)cc1C ZINC000894586043 583489503 /nfs/dbraw/zinc/48/95/03/583489503.db2.gz MOZZTVRKNQFDLM-UHFFFAOYSA-N 1 2 245.326 2.364 20 10 BECDLO Cc1cc(O)c(C[N@@H+](C)Cc2ncc[nH]2)cc1C ZINC000894586043 583489506 /nfs/dbraw/zinc/48/95/06/583489506.db2.gz MOZZTVRKNQFDLM-UHFFFAOYSA-N 1 2 245.326 2.364 20 10 BECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000132476834 583840036 /nfs/dbraw/zinc/84/00/36/583840036.db2.gz MKRMBMPMXHAITB-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000132476834 583840037 /nfs/dbraw/zinc/84/00/37/583840037.db2.gz MKRMBMPMXHAITB-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO CCC[NH2+]CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841046424 584124219 /nfs/dbraw/zinc/12/42/19/584124219.db2.gz FQQQZXWANVNKEM-UHFFFAOYSA-N 1 2 242.750 2.135 20 10 BECDLO C[C@@H]([NH2+]CC[C@H](C)O)c1cc(F)cc(F)c1O ZINC000756572077 585321453 /nfs/dbraw/zinc/32/14/53/585321453.db2.gz LOVXPCSJERGJGU-JGVFFNPUSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000788269061 585919797 /nfs/dbraw/zinc/91/97/97/585919797.db2.gz LBZLIBOVSRGFRV-WCBMZHEXSA-N 1 2 241.718 2.001 20 10 BECDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000788269061 585919798 /nfs/dbraw/zinc/91/97/98/585919798.db2.gz LBZLIBOVSRGFRV-WCBMZHEXSA-N 1 2 241.718 2.001 20 10 BECDLO Oc1ccc(CCNc2cccc[nH+]2)cc1O ZINC000811811659 586567174 /nfs/dbraw/zinc/56/71/74/586567174.db2.gz ZQFZOKRPGRNJPI-UHFFFAOYSA-N 1 2 230.267 2.147 20 10 BECDLO C[N@H+](CCF)Cc1c(O)cccc1Cl ZINC000816639040 586747002 /nfs/dbraw/zinc/74/70/02/586747002.db2.gz FTLPRALNOZXOSV-UHFFFAOYSA-N 1 2 217.671 2.447 20 10 BECDLO C[N@@H+](CCF)Cc1c(O)cccc1Cl ZINC000816639040 586747004 /nfs/dbraw/zinc/74/70/04/586747004.db2.gz FTLPRALNOZXOSV-UHFFFAOYSA-N 1 2 217.671 2.447 20 10 BECDLO C[NH2+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841034150 587937290 /nfs/dbraw/zinc/93/72/90/587937290.db2.gz BINRKSVCHMLSOP-UHFFFAOYSA-N 1 2 249.141 2.008 20 10 BECDLO COC(=O)C1CCC([NH2+]c2ccc(N)cc2)CC1 ZINC000841040501 587938743 /nfs/dbraw/zinc/93/87/43/587938743.db2.gz NSCJIRKOIFNCLR-UHFFFAOYSA-N 1 2 248.326 2.413 20 10 BECDLO COc1ccc([N@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000844352960 588186838 /nfs/dbraw/zinc/18/68/38/588186838.db2.gz LJBVRSAEXMAEMC-LLVKDONJSA-N 1 2 249.310 2.085 20 10 BECDLO COc1ccc([N@@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000844352960 588186840 /nfs/dbraw/zinc/18/68/40/588186840.db2.gz LJBVRSAEXMAEMC-LLVKDONJSA-N 1 2 249.310 2.085 20 10 BECDLO Cc1ccc(C[N@H+]2Cc3cccc(O)c3C2)nn1 ZINC000877702816 590395853 /nfs/dbraw/zinc/39/58/53/590395853.db2.gz ISYHWHUFWAHBIV-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO CCn1ccnc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703584 590397049 /nfs/dbraw/zinc/39/70/49/590397049.db2.gz PQJXYJODYVVZFY-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO CCn1ccnc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703584 590397051 /nfs/dbraw/zinc/39/70/51/590397051.db2.gz PQJXYJODYVVZFY-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO CCn1cc[nH+]c1CN1Cc2cccc(O)c2C1 ZINC000877703584 590397052 /nfs/dbraw/zinc/39/70/52/590397052.db2.gz PQJXYJODYVVZFY-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000879650600 590843637 /nfs/dbraw/zinc/84/36/37/590843637.db2.gz ITZXQCWZPALDQB-DTWKUNHWSA-N 1 2 247.298 2.495 20 10 BECDLO C[C@@H](CCCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162871327 635144725 /nfs/dbraw/zinc/14/47/25/635144725.db2.gz LHQJTNCEYLUBOY-VIFPVBQESA-N 1 2 243.734 2.296 20 10 BECDLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1O ZINC000041014259 641539358 /nfs/dbraw/zinc/53/93/58/641539358.db2.gz CDPFKHKNECEXJG-GFCCVEGCSA-N 1 2 231.299 2.356 20 10 BECDLO FCC(CF)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922154402 643874568 /nfs/dbraw/zinc/87/45/68/643874568.db2.gz LLYYIXCLTYXAOX-UHFFFAOYSA-N 1 2 241.281 2.409 20 10 BECDLO CCOCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000703519476 712078078 /nfs/dbraw/zinc/07/80/78/712078078.db2.gz WGKHRTFIKIKSSE-UHFFFAOYSA-N 1 2 245.269 2.139 20 10 BECDLO CCOCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000703519476 712078079 /nfs/dbraw/zinc/07/80/79/712078079.db2.gz WGKHRTFIKIKSSE-UHFFFAOYSA-N 1 2 245.269 2.139 20 10 BECDLO Oc1c(C[N@@H+]2CC[C@@H](CF)C2)ccc(F)c1F ZINC000711502591 712307270 /nfs/dbraw/zinc/30/72/70/712307270.db2.gz MTKZJGPFRBAVEY-QMMMGPOBSA-N 1 2 245.244 2.462 20 10 BECDLO Oc1c(C[N@H+]2CC[C@@H](CF)C2)ccc(F)c1F ZINC000711502591 712307271 /nfs/dbraw/zinc/30/72/71/712307271.db2.gz MTKZJGPFRBAVEY-QMMMGPOBSA-N 1 2 245.244 2.462 20 10 BECDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](C)O ZINC000386742086 711035693 /nfs/dbraw/zinc/03/56/93/711035693.db2.gz DPVNKYXXSGUICX-GZMMTYOYSA-N 1 2 243.734 2.295 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]CCOCCF ZINC000702646560 712058650 /nfs/dbraw/zinc/05/86/50/712058650.db2.gz QZAWSJUBGQTDTH-UHFFFAOYSA-N 1 2 247.697 2.121 20 10 BECDLO CSCC[N@H+](C)Cc1c(O)cc(F)cc1F ZINC001140585319 960445299 /nfs/dbraw/zinc/44/52/99/960445299.db2.gz FIZIUFIUXBVFPN-UHFFFAOYSA-N 1 2 247.310 2.465 20 10 BECDLO CSCC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140585319 960445309 /nfs/dbraw/zinc/44/53/09/960445309.db2.gz FIZIUFIUXBVFPN-UHFFFAOYSA-N 1 2 247.310 2.465 20 10 BECDLO Oc1cc(F)c(F)cc1C[NH+]1CC(C(F)F)C1 ZINC001142534849 964373733 /nfs/dbraw/zinc/37/37/33/964373733.db2.gz ZNMVLTVSIBORGY-UHFFFAOYSA-N 1 2 249.207 2.367 20 10 BECDLO Cc1ccc(O)c(C[N@@H+]2Cc3cncnc3C2)c1 ZINC001140617097 960459695 /nfs/dbraw/zinc/45/96/95/960459695.db2.gz DQTOHXXXCNQMRV-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO Cc1ccc(O)c(C[N@H+]2Cc3cncnc3C2)c1 ZINC001140617097 960459701 /nfs/dbraw/zinc/45/97/01/960459701.db2.gz DQTOHXXXCNQMRV-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO CC[N@H+](Cc1cc(C)[nH]n1)Cc1ccccc1O ZINC001203081601 960750992 /nfs/dbraw/zinc/75/09/92/960750992.db2.gz CRKLMJXXEQLQME-UHFFFAOYSA-N 1 2 245.326 2.446 20 10 BECDLO CC[N@@H+](Cc1cc(C)[nH]n1)Cc1ccccc1O ZINC001203081601 960751005 /nfs/dbraw/zinc/75/10/05/960751005.db2.gz CRKLMJXXEQLQME-UHFFFAOYSA-N 1 2 245.326 2.446 20 10 BECDLO C[N@H+](Cc1ncco1)Cc1ccccc1O ZINC001141011032 960812423 /nfs/dbraw/zinc/81/24/23/960812423.db2.gz MTRJQGNLIZEKRL-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO C[N@@H+](Cc1ncco1)Cc1ccccc1O ZINC001141011032 960812424 /nfs/dbraw/zinc/81/24/24/960812424.db2.gz MTRJQGNLIZEKRL-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO Oc1cc(F)c(F)cc1C[NH+]1CCSCC1 ZINC001142512495 961468683 /nfs/dbraw/zinc/46/86/83/961468683.db2.gz ARDFHBXPAZBWPK-UHFFFAOYSA-N 1 2 245.294 2.219 20 10 BECDLO CNc1ccc(Nc2ccc(N)cc2)c[nH+]1 ZINC001203459180 966651960 /nfs/dbraw/zinc/65/19/60/966651960.db2.gz ZBQFXSDXWLKLIY-UHFFFAOYSA-N 1 2 214.272 2.449 20 10 BECDLO Oc1ccc(C[N@@H+]2Cc3cccnc3C2)c(O)c1 ZINC001204273125 966949750 /nfs/dbraw/zinc/94/97/50/966949750.db2.gz ZBETZPZYXZMLNA-UHFFFAOYSA-N 1 2 242.278 2.009 20 10 BECDLO Oc1ccc(C[N@H+]2Cc3cccnc3C2)c(O)c1 ZINC001204273125 966949757 /nfs/dbraw/zinc/94/97/57/966949757.db2.gz ZBETZPZYXZMLNA-UHFFFAOYSA-N 1 2 242.278 2.009 20 10 BECDLO CCc1cccc(C[NH2+]CC(F)F)c1O ZINC000691462518 969963607 /nfs/dbraw/zinc/96/36/07/969963607.db2.gz YFAUAXQHRWOVEW-UHFFFAOYSA-N 1 2 215.243 2.309 20 10 BECDLO Oc1cc(Cl)ccc1C[NH2+]C(CF)CF ZINC001181971284 979404836 /nfs/dbraw/zinc/40/48/36/979404836.db2.gz KFYNGGXSHCJJRF-UHFFFAOYSA-N 1 2 235.661 2.443 20 10 BECDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC1 ZINC001237619283 979978363 /nfs/dbraw/zinc/97/83/63/979978363.db2.gz MEDDQIWUTIYLMG-UHFFFAOYSA-N 1 2 215.655 2.390 20 10 BECDLO Cc1cc2[nH+]ccn2cc1-c1ccn(C)c(=O)c1 ZINC001240989219 982074272 /nfs/dbraw/zinc/07/42/72/982074272.db2.gz TZPBAQPMLWYZBB-UHFFFAOYSA-N 1 2 239.278 2.008 20 10 BECDLO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)ccc1N(C)C ZINC001139674125 987339635 /nfs/dbraw/zinc/33/96/35/987339635.db2.gz QAVUHYSSDYEWOI-LSDHHAIUSA-N 1 2 246.354 2.034 20 10 BECDLO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)ccc1N(C)C ZINC001139674125 987339639 /nfs/dbraw/zinc/33/96/39/987339639.db2.gz QAVUHYSSDYEWOI-LSDHHAIUSA-N 1 2 246.354 2.034 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](F)C1 ZINC001137837360 990856675 /nfs/dbraw/zinc/85/66/75/990856675.db2.gz CSMAOHHVPCOMNI-VIFPVBQESA-N 1 2 227.254 2.465 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1CCC[C@H](F)C1 ZINC001137837360 990856680 /nfs/dbraw/zinc/85/66/80/990856680.db2.gz CSMAOHHVPCOMNI-VIFPVBQESA-N 1 2 227.254 2.465 20 10 BECDLO CC(C)[N@H+](CCCO)Cc1cccc(F)c1O ZINC001138127431 990886694 /nfs/dbraw/zinc/88/66/94/990886694.db2.gz BAEJBQCIRMHDMM-UHFFFAOYSA-N 1 2 241.306 2.124 20 10 BECDLO CC(C)[N@@H+](CCCO)Cc1cccc(F)c1O ZINC001138127431 990886696 /nfs/dbraw/zinc/88/66/96/990886696.db2.gz BAEJBQCIRMHDMM-UHFFFAOYSA-N 1 2 241.306 2.124 20 10 BECDLO CCCOC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140055315 991509144 /nfs/dbraw/zinc/50/91/44/991509144.db2.gz RBEPYIQAVQORDD-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO CC[NH+]1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140179597 991549868 /nfs/dbraw/zinc/54/98/68/991549868.db2.gz GKUMYMWABSTQTK-UHFFFAOYSA-N 1 2 248.370 2.147 20 10 BECDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461611 991643983 /nfs/dbraw/zinc/64/39/83/991643983.db2.gz NOFJCLCWSFLZHV-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461611 991643987 /nfs/dbraw/zinc/64/39/87/991643987.db2.gz NOFJCLCWSFLZHV-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO Oc1ccc(Cl)cc1C[NH2+]Cc1ccn[nH]1 ZINC000041014235 183272749 /nfs/dbraw/zinc/27/27/49/183272749.db2.gz AGRVNSIDKBFTQO-UHFFFAOYSA-N 1 2 237.690 2.059 20 10 BECDLO C[C@H](O)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000132509589 384233609 /nfs/dbraw/zinc/23/36/09/384233609.db2.gz BAOFZGVHZKJJFP-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO C[C@H](O)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000132509589 384233613 /nfs/dbraw/zinc/23/36/13/384233613.db2.gz BAOFZGVHZKJJFP-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000162818306 384694236 /nfs/dbraw/zinc/69/42/36/384694236.db2.gz OBSHHSHJLVQNNC-JTQLQIEISA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162873434 384700267 /nfs/dbraw/zinc/70/02/67/384700267.db2.gz YBCJXDJPDBXJNF-GZMMTYOYSA-N 1 2 241.718 2.313 20 10 BECDLO CCOc1cccc(C[NH2+]CC(F)F)c1O ZINC000147298771 384833275 /nfs/dbraw/zinc/83/32/75/384833275.db2.gz DQDCFULETWPUFY-UHFFFAOYSA-N 1 2 231.242 2.146 20 10 BECDLO CN(C)c1ccc(C[N@H+](C)Cc2cocn2)cc1 ZINC000191056904 385280453 /nfs/dbraw/zinc/28/04/53/385280453.db2.gz YZVPKHBUPUVGGR-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cocn2)cc1 ZINC000191056904 385280459 /nfs/dbraw/zinc/28/04/59/385280459.db2.gz YZVPKHBUPUVGGR-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000234901016 386114856 /nfs/dbraw/zinc/11/48/56/386114856.db2.gz UDBCZDMUHGKUKG-JTQLQIEISA-N 1 2 241.718 2.266 20 10 BECDLO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000234901016 386114864 /nfs/dbraw/zinc/11/48/64/386114864.db2.gz UDBCZDMUHGKUKG-JTQLQIEISA-N 1 2 241.718 2.266 20 10 BECDLO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000293358632 386655699 /nfs/dbraw/zinc/65/56/99/386655699.db2.gz HIIJKOXBNFQTBJ-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO CC[C@@H]([NH2+]C[C@H](C)O)c1cccc(Cl)c1O ZINC000287130500 387377588 /nfs/dbraw/zinc/37/75/88/387377588.db2.gz YQZJNFQXJSHELQ-GZMMTYOYSA-N 1 2 243.734 2.467 20 10 BECDLO CC[C@H]([NH2+][C@H](C)CO)c1cccc(Cl)c1O ZINC000287706481 387501242 /nfs/dbraw/zinc/50/12/42/387501242.db2.gz NYPKYSAPYXGUMA-KCJUWKMLSA-N 1 2 243.734 2.467 20 10 BECDLO C[C@H](CF)[NH2+]Cc1cccc(Cl)c1O ZINC000289223810 388351417 /nfs/dbraw/zinc/35/14/17/388351417.db2.gz AGDGCXKMXWPWQG-SSDOTTSWSA-N 1 2 217.671 2.493 20 10 BECDLO Cc1cccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493404918 388358313 /nfs/dbraw/zinc/35/83/13/388358313.db2.gz WWPYGGZKDNWHNI-SREVYHEPSA-N 1 2 241.294 2.394 20 10 BECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493554976 388359558 /nfs/dbraw/zinc/35/95/58/388359558.db2.gz MNVQSNSLRQYOMF-QPJJXVBHSA-N 1 2 245.257 2.225 20 10 BECDLO CC(C)[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000162869322 167407080 /nfs/dbraw/zinc/40/70/80/167407080.db2.gz XVFYWHRWGXSPIE-LLVKDONJSA-N 1 2 243.734 2.152 20 10 BECDLO COc1cccc(C[N@H+](C)Cc2ccon2)c1O ZINC000271175588 175255346 /nfs/dbraw/zinc/25/53/46/175255346.db2.gz FVPITLGTGHTKHY-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO COc1cccc(C[N@@H+](C)Cc2ccon2)c1O ZINC000271175588 175255347 /nfs/dbraw/zinc/25/53/47/175255347.db2.gz FVPITLGTGHTKHY-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO C[C@@H]1C[NH+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000160198583 176305661 /nfs/dbraw/zinc/30/56/61/176305661.db2.gz TYWHBDQQVFTAQC-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO Cc1cc(C[NH2+]Cc2c(O)cccc2F)no1 ZINC000896639871 583820365 /nfs/dbraw/zinc/82/03/65/583820365.db2.gz YTDLIYOPUFMPJO-UHFFFAOYSA-N 1 2 236.246 2.118 20 10 BECDLO CCOc1ccc(N(C)Cc2c[nH+]cn2C)cc1 ZINC000751481590 585231537 /nfs/dbraw/zinc/23/15/37/585231537.db2.gz IHVKBMPFJPDOEK-UHFFFAOYSA-N 1 2 245.326 2.455 20 10 BECDLO C[C@@H]([NH2+][C@@H](C)CCO)c1cc(F)cc(F)c1O ZINC000756595996 585321746 /nfs/dbraw/zinc/32/17/46/585321746.db2.gz WTIIWBPZRSCPNE-JGVFFNPUSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H]([NH2+]CCCCO)c1cc(F)cc(F)c1O ZINC000786941648 585899038 /nfs/dbraw/zinc/89/90/38/585899038.db2.gz QIDSYAPPHMTJAH-MRVPVSSYSA-N 1 2 245.269 2.094 20 10 BECDLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1O ZINC000796756917 586111669 /nfs/dbraw/zinc/11/16/69/586111669.db2.gz ZFJOWAKEVNCFPC-GFCCVEGCSA-N 1 2 249.289 2.495 20 10 BECDLO COc1ccc2c(c1)CCC[N@H+]2CC[C@H](C)O ZINC000827377819 587378784 /nfs/dbraw/zinc/37/87/84/587378784.db2.gz FWABSGIJUOAKHP-NSHDSACASA-N 1 2 235.327 2.219 20 10 BECDLO COc1ccc2c(c1)CCC[N@@H+]2CC[C@H](C)O ZINC000827377819 587378785 /nfs/dbraw/zinc/37/87/85/587378785.db2.gz FWABSGIJUOAKHP-NSHDSACASA-N 1 2 235.327 2.219 20 10 BECDLO Cc1cc(O)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059983 587941364 /nfs/dbraw/zinc/94/13/64/587941364.db2.gz ZHWSVZKLAOUWNQ-HZMBPMFUSA-N 1 2 248.370 2.097 20 10 BECDLO COc1ccc([N@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000844352961 588186865 /nfs/dbraw/zinc/18/68/65/588186865.db2.gz LJBVRSAEXMAEMC-NSHDSACASA-N 1 2 249.310 2.085 20 10 BECDLO COc1ccc([N@@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000844352961 588186867 /nfs/dbraw/zinc/18/68/67/588186867.db2.gz LJBVRSAEXMAEMC-NSHDSACASA-N 1 2 249.310 2.085 20 10 BECDLO COc1ccc(N(C)Cc2c[nH+]cn2C)cc1 ZINC000844352803 588186969 /nfs/dbraw/zinc/18/69/69/588186969.db2.gz IRKCOPYZIUXKJS-UHFFFAOYSA-N 1 2 231.299 2.065 20 10 BECDLO Cc1cccc(O)c1C[N@H+](C)CC(F)F ZINC000876640399 590225224 /nfs/dbraw/zinc/22/52/24/590225224.db2.gz SYIAHFPCGYXWHI-UHFFFAOYSA-N 1 2 215.243 2.398 20 10 BECDLO Cc1cccc(O)c1C[N@@H+](C)CC(F)F ZINC000876640399 590225226 /nfs/dbraw/zinc/22/52/26/590225226.db2.gz SYIAHFPCGYXWHI-UHFFFAOYSA-N 1 2 215.243 2.398 20 10 BECDLO Oc1c(C[N@H+]2CC=CCC2)ccc(F)c1F ZINC000877168622 590293028 /nfs/dbraw/zinc/29/30/28/590293028.db2.gz XMKBNIALFJCXCV-UHFFFAOYSA-N 1 2 225.238 2.432 20 10 BECDLO Oc1c(C[N@@H+]2CC=CCC2)ccc(F)c1F ZINC000877168622 590293029 /nfs/dbraw/zinc/29/30/29/590293029.db2.gz XMKBNIALFJCXCV-UHFFFAOYSA-N 1 2 225.238 2.432 20 10 BECDLO Cc1c[nH+]ccc1NC(=O)c1cccc(O)c1O ZINC000126415805 590301897 /nfs/dbraw/zinc/30/18/97/590301897.db2.gz SWJKSJRGMYCREB-UHFFFAOYSA-N 1 2 244.250 2.054 20 10 BECDLO Oc1cccc2c1C[N@H+](Cc1cscn1)C2 ZINC000877703289 590395679 /nfs/dbraw/zinc/39/56/79/590395679.db2.gz AAKPSCHLZAUABE-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1cccc2c1C[N@@H+](Cc1cscn1)C2 ZINC000877703289 590395681 /nfs/dbraw/zinc/39/56/81/590395681.db2.gz AAKPSCHLZAUABE-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1cccc2c1C[N@H+](Cc1cncs1)C2 ZINC000877702559 590395972 /nfs/dbraw/zinc/39/59/72/590395972.db2.gz BMOCLEKAWGEJME-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1cccc2c1C[N@@H+](Cc1cncs1)C2 ZINC000877702559 590395975 /nfs/dbraw/zinc/39/59/75/590395975.db2.gz BMOCLEKAWGEJME-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000133262506 591781652 /nfs/dbraw/zinc/78/16/52/591781652.db2.gz TXHYCQYKGKNNBX-GHMZBOCLSA-N 1 2 241.718 2.049 20 10 BECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ncco1 ZINC000886274259 592194829 /nfs/dbraw/zinc/19/48/29/592194829.db2.gz PJYZAPNZWYJWGQ-SNVBAGLBSA-N 1 2 244.294 2.460 20 10 BECDLO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000300046354 592501758 /nfs/dbraw/zinc/50/17/58/592501758.db2.gz UDBCZDMUHGKUKG-SNVBAGLBSA-N 1 2 241.718 2.266 20 10 BECDLO CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000300046354 592501761 /nfs/dbraw/zinc/50/17/61/592501761.db2.gz UDBCZDMUHGKUKG-SNVBAGLBSA-N 1 2 241.718 2.266 20 10 BECDLO COc1ccc(C[NH2+]Cc2ccon2)cc1C ZINC000093305773 631566892 /nfs/dbraw/zinc/56/68/92/631566892.db2.gz DNKWBVSZAMEHSI-UHFFFAOYSA-N 1 2 232.283 2.281 20 10 BECDLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649127 635871423 /nfs/dbraw/zinc/87/14/23/635871423.db2.gz ITZXQCWZPALDQB-RKDXNWHRSA-N 1 2 247.298 2.495 20 10 BECDLO CCn1ccnc1C[N@H+](C)Cc1ccccc1O ZINC000171936872 641022901 /nfs/dbraw/zinc/02/29/01/641022901.db2.gz QCZRGUCTGIZZGG-UHFFFAOYSA-N 1 2 245.326 2.241 20 10 BECDLO CCn1ccnc1C[N@@H+](C)Cc1ccccc1O ZINC000171936872 641022903 /nfs/dbraw/zinc/02/29/03/641022903.db2.gz QCZRGUCTGIZZGG-UHFFFAOYSA-N 1 2 245.326 2.241 20 10 BECDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c(O)c1 ZINC000041014723 641539216 /nfs/dbraw/zinc/53/92/16/641539216.db2.gz RATXWMUDNJHLAX-SNVBAGLBSA-N 1 2 231.299 2.275 20 10 BECDLO Oc1cccc(Cl)c1C[NH2+]Cc1ncc[nH]1 ZINC000086507242 644144771 /nfs/dbraw/zinc/14/47/71/644144771.db2.gz QXBOHAFIIZVTLY-UHFFFAOYSA-N 1 2 237.690 2.059 20 10 BECDLO COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381305929 710620295 /nfs/dbraw/zinc/62/02/95/710620295.db2.gz JVSLDTXJKBKDRX-SSDOTTSWSA-N 1 2 247.697 2.309 20 10 BECDLO COc1cccc(C[NH2+][C@@H](C)C(F)F)c1O ZINC000389950071 711100062 /nfs/dbraw/zinc/10/00/62/711100062.db2.gz WTOILQRBEPOOKI-ZETCQYMHSA-N 1 2 231.242 2.144 20 10 BECDLO CC(C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708388720 712191627 /nfs/dbraw/zinc/19/16/27/712191627.db2.gz IGCMKWJWJLHJGA-UHFFFAOYSA-N 1 2 215.243 2.416 20 10 BECDLO C[C@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000699764653 966073862 /nfs/dbraw/zinc/07/38/62/966073862.db2.gz WTHRNFCCAQFZGD-KWQFWETISA-N 1 2 241.718 2.170 20 10 BECDLO C[NH+](C)Cc1c(O)cc(Br)cc1F ZINC001233027408 1167705875 /nfs/dbraw/zinc/70/58/75/1167705875.db2.gz RFEVIAUCQZKZGQ-UHFFFAOYSA-N 1 2 248.095 2.355 20 10 BECDLO Cc1ccc(O)c(C[N@H+](C)Cc2ncccn2)c1 ZINC001140617721 960461424 /nfs/dbraw/zinc/46/14/24/960461424.db2.gz YZGAFPOBXHBIQF-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1ccc(O)c(C[N@@H+](C)Cc2ncccn2)c1 ZINC001140617721 960461437 /nfs/dbraw/zinc/46/14/37/960461437.db2.gz YZGAFPOBXHBIQF-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1c(O)ccc(C[N@H+](C)Cc2ccon2)c1O ZINC001140749419 960550502 /nfs/dbraw/zinc/55/05/02/960550502.db2.gz YVKPUMUPQDYVJX-UHFFFAOYSA-N 1 2 248.282 2.026 20 10 BECDLO Cc1c(O)ccc(C[N@@H+](C)Cc2ccon2)c1O ZINC001140749419 960550520 /nfs/dbraw/zinc/55/05/20/960550520.db2.gz YVKPUMUPQDYVJX-UHFFFAOYSA-N 1 2 248.282 2.026 20 10 BECDLO Cc1ccc(C[N@H+](C)Cc2ncccn2)c(O)c1 ZINC001140947681 960737060 /nfs/dbraw/zinc/73/70/60/960737060.db2.gz AGMXVRFUDXSLKB-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1ccc(C[N@@H+](C)Cc2ncccn2)c(O)c1 ZINC001140947681 960737076 /nfs/dbraw/zinc/73/70/76/960737076.db2.gz AGMXVRFUDXSLKB-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1ccc(C[N@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001140947719 960743125 /nfs/dbraw/zinc/74/31/25/960743125.db2.gz CKEWOVMEVDLKFO-PHIMTYICSA-N 1 2 227.254 2.192 20 10 BECDLO Cc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)c(O)c1 ZINC001140947719 960743152 /nfs/dbraw/zinc/74/31/52/960743152.db2.gz CKEWOVMEVDLKFO-PHIMTYICSA-N 1 2 227.254 2.192 20 10 BECDLO CC1(C)C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137831908 967822101 /nfs/dbraw/zinc/82/21/01/967822101.db2.gz RUGNYBJZHVBZIA-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137831908 967822108 /nfs/dbraw/zinc/82/21/08/967822108.db2.gz RUGNYBJZHVBZIA-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO Cc1[nH+]cc(N(C)c2ccc(N)cc2)cc1N ZINC001210290787 969859844 /nfs/dbraw/zinc/85/98/44/969859844.db2.gz GGPVGKRXXXMJCG-UHFFFAOYSA-N 1 2 228.299 2.322 20 10 BECDLO CN(C)c1ccc(N(C)c2ccc(N)cc2)c[nH+]1 ZINC001175346140 977365587 /nfs/dbraw/zinc/36/55/87/977365587.db2.gz OLMDVZFNVJPXCG-UHFFFAOYSA-N 1 2 242.326 2.498 20 10 BECDLO Cc1cccc(C[N@@H+]2Cc3cncnc3C2)c1O ZINC001231591134 977632954 /nfs/dbraw/zinc/63/29/54/977632954.db2.gz UEGRFYWLDHGKSC-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO Cc1cccc(C[N@H+]2Cc3cncnc3C2)c1O ZINC001231591134 977632959 /nfs/dbraw/zinc/63/29/59/977632959.db2.gz UEGRFYWLDHGKSC-UHFFFAOYSA-N 1 2 241.294 2.006 20 10 BECDLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)OCCN2C ZINC001243942884 985625492 /nfs/dbraw/zinc/62/54/92/985625492.db2.gz WYGSITHSYGOOHF-RZVFHRDZSA-N 1 2 230.311 2.391 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001137832880 990857236 /nfs/dbraw/zinc/85/72/36/990857236.db2.gz KWWJZGUPGCHFFK-HOTUBEGUSA-N 1 2 239.265 2.321 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001137832880 990857240 /nfs/dbraw/zinc/85/72/40/990857240.db2.gz KWWJZGUPGCHFFK-HOTUBEGUSA-N 1 2 239.265 2.321 20 10 BECDLO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001140341228 991611665 /nfs/dbraw/zinc/61/16/65/991611665.db2.gz FDZUGJLRKOZSBQ-DTORHVGOSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001140341228 991611668 /nfs/dbraw/zinc/61/16/68/991611668.db2.gz FDZUGJLRKOZSBQ-DTORHVGOSA-N 1 2 239.702 2.019 20 10 BECDLO C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461612 991644359 /nfs/dbraw/zinc/64/43/59/991644359.db2.gz NOFJCLCWSFLZHV-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461612 991644362 /nfs/dbraw/zinc/64/43/62/991644362.db2.gz NOFJCLCWSFLZHV-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO Cc1cccc(CN2CC[N@@H+](C)CC2(C)C)c1O ZINC000271891880 179076202 /nfs/dbraw/zinc/07/62/02/179076202.db2.gz XFYLNFFEPCCUMB-UHFFFAOYSA-N 1 2 248.370 2.227 20 10 BECDLO Cc1cccc(CN2CC[N@H+](C)CC2(C)C)c1O ZINC000271891880 179076203 /nfs/dbraw/zinc/07/62/03/179076203.db2.gz XFYLNFFEPCCUMB-UHFFFAOYSA-N 1 2 248.370 2.227 20 10 BECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1CC1 ZINC000306599948 353029003 /nfs/dbraw/zinc/02/90/03/353029003.db2.gz SMOCJCNDIAHAHN-UHFFFAOYSA-N 1 2 215.655 2.437 20 10 BECDLO OCC1([NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000162976084 183038556 /nfs/dbraw/zinc/03/85/56/183038556.db2.gz YOZLVHDKTCQYEF-UHFFFAOYSA-N 1 2 241.718 2.050 20 10 BECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366541918 183273641 /nfs/dbraw/zinc/27/36/41/183273641.db2.gz AZEUDVPOZCJLKZ-CMPLNLGQSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366541918 183273643 /nfs/dbraw/zinc/27/36/43/183273643.db2.gz AZEUDVPOZCJLKZ-CMPLNLGQSA-N 1 2 239.702 2.019 20 10 BECDLO CN(C)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000147267063 384288484 /nfs/dbraw/zinc/28/84/84/384288484.db2.gz QWFUCJYJUVCLNN-UHFFFAOYSA-N 1 2 214.259 2.107 20 10 BECDLO C[C@H]([NH2+]CC(C)(C)O)c1ccc(F)c(F)c1O ZINC000187713985 384976674 /nfs/dbraw/zinc/97/66/74/384976674.db2.gz OPPZDIFGFCUKLT-ZETCQYMHSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1nnc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000271425502 385827719 /nfs/dbraw/zinc/82/77/19/385827719.db2.gz MXBKYHPELZMAFY-UHFFFAOYSA-N 1 2 249.339 2.184 20 10 BECDLO Cc1nnc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000271425502 385827728 /nfs/dbraw/zinc/82/77/28/385827728.db2.gz MXBKYHPELZMAFY-UHFFFAOYSA-N 1 2 249.339 2.184 20 10 BECDLO C[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293531879 386665395 /nfs/dbraw/zinc/66/53/95/386665395.db2.gz DZNNYQAOQVMFEQ-SSDOTTSWSA-N 1 2 247.697 2.045 20 10 BECDLO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162873631 176473007 /nfs/dbraw/zinc/47/30/07/176473007.db2.gz YBCJXDJPDBXJNF-KWQFWETISA-N 1 2 241.718 2.313 20 10 BECDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000160199695 177265473 /nfs/dbraw/zinc/26/54/73/177265473.db2.gz NCPVAFHGTBOLJL-ZJUUUORDSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000160199695 177265474 /nfs/dbraw/zinc/26/54/74/177265474.db2.gz NCPVAFHGTBOLJL-ZJUUUORDSA-N 1 2 239.290 2.141 20 10 BECDLO COC(=O)COc1ccc([N@@H+](C)CC2CC2)cc1 ZINC000183808134 491058630 /nfs/dbraw/zinc/05/86/30/491058630.db2.gz BOXUUTDTUHXCGD-UHFFFAOYSA-N 1 2 249.310 2.085 20 10 BECDLO COC(=O)COc1ccc([N@H+](C)CC2CC2)cc1 ZINC000183808134 491058628 /nfs/dbraw/zinc/05/86/28/491058628.db2.gz BOXUUTDTUHXCGD-UHFFFAOYSA-N 1 2 249.310 2.085 20 10 BECDLO CC[N@H+](C)CCNCc1c(O)cccc1Cl ZINC000083552237 491126519 /nfs/dbraw/zinc/12/65/19/491126519.db2.gz HQPYLNFOWKVMOK-UHFFFAOYSA-N 1 2 242.750 2.087 20 10 BECDLO CC[N@@H+](C)CCNCc1c(O)cccc1Cl ZINC000083552237 491126520 /nfs/dbraw/zinc/12/65/20/491126520.db2.gz HQPYLNFOWKVMOK-UHFFFAOYSA-N 1 2 242.750 2.087 20 10 BECDLO CCc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1O ZINC000894586523 583488890 /nfs/dbraw/zinc/48/88/90/583488890.db2.gz HEZQILRYUUZMNW-UHFFFAOYSA-N 1 2 245.326 2.310 20 10 BECDLO CCc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1O ZINC000894586523 583488891 /nfs/dbraw/zinc/48/88/91/583488891.db2.gz HEZQILRYUUZMNW-UHFFFAOYSA-N 1 2 245.326 2.310 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH+]1CC2(CC2)C1 ZINC000894870601 583539813 /nfs/dbraw/zinc/53/98/13/583539813.db2.gz MZGXQDWWXWNXAP-UHFFFAOYSA-N 1 2 225.238 2.266 20 10 BECDLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1c(O)cccc1F ZINC000903351744 584755291 /nfs/dbraw/zinc/75/52/91/584755291.db2.gz NTPQOPWGDYNZPK-SECBINFHSA-N 1 2 249.289 2.116 20 10 BECDLO Cc1cccc(C[NH+]2CC(OC(F)F)C2)c1O ZINC000839145413 585092015 /nfs/dbraw/zinc/09/20/15/585092015.db2.gz SOVRMHLNMPRKPE-UHFFFAOYSA-N 1 2 243.253 2.124 20 10 BECDLO C[C@@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756572072 585321386 /nfs/dbraw/zinc/32/13/86/585321386.db2.gz LOVXPCSJERGJGU-HTQZYQBOSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1cnc(C[N@@H+](C)Cc2ccccc2O)nc1 ZINC000760856565 585400134 /nfs/dbraw/zinc/40/01/34/585400134.db2.gz ITXRTJQGPWRNTM-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1cnc(C[N@H+](C)Cc2ccccc2O)nc1 ZINC000760856565 585400135 /nfs/dbraw/zinc/40/01/35/585400135.db2.gz ITXRTJQGPWRNTM-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1ccc(O)c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000775985172 585688819 /nfs/dbraw/zinc/68/88/19/585688819.db2.gz KJLNUJKFEFWKSP-STQMWFEESA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000775985172 585688820 /nfs/dbraw/zinc/68/88/20/585688820.db2.gz KJLNUJKFEFWKSP-STQMWFEESA-N 1 2 248.370 2.225 20 10 BECDLO C[C@H]([NH2+]CCCCO)c1cc(F)cc(F)c1O ZINC000786941652 585898984 /nfs/dbraw/zinc/89/89/84/585898984.db2.gz QIDSYAPPHMTJAH-QMMMGPOBSA-N 1 2 245.269 2.094 20 10 BECDLO Oc1ccc(Cl)cc1C[NH2+]C(CF)CF ZINC000824554426 587275725 /nfs/dbraw/zinc/27/57/25/587275725.db2.gz FYWJEXAPXFACID-UHFFFAOYSA-N 1 2 235.661 2.443 20 10 BECDLO COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000841059507 587940813 /nfs/dbraw/zinc/94/08/13/587940813.db2.gz SXUQBNJOYPAYRZ-BXUZGUMPSA-N 1 2 248.370 2.091 20 10 BECDLO COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059510 587940895 /nfs/dbraw/zinc/94/08/95/587940895.db2.gz SXUQBNJOYPAYRZ-SMDDNHRTSA-N 1 2 248.370 2.091 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442661 589213208 /nfs/dbraw/zinc/21/32/08/589213208.db2.gz FHRMXOFYLFNDCY-AOOOYVTPSA-N 1 2 223.703 2.497 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442661 589213209 /nfs/dbraw/zinc/21/32/09/589213209.db2.gz FHRMXOFYLFNDCY-AOOOYVTPSA-N 1 2 223.703 2.497 20 10 BECDLO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)on1 ZINC000877702530 590396231 /nfs/dbraw/zinc/39/62/31/590396231.db2.gz AGVSRRULGOMMDO-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)on1 ZINC000877702530 590396234 /nfs/dbraw/zinc/39/62/34/590396234.db2.gz AGVSRRULGOMMDO-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+]C(CF)CF ZINC000883132534 591547384 /nfs/dbraw/zinc/54/73/84/591547384.db2.gz USFZTZKWLQUHSN-UHFFFAOYSA-N 1 2 237.196 2.068 20 10 BECDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000132473900 591711345 /nfs/dbraw/zinc/71/13/45/591711345.db2.gz DWKUKKGLTNJGTP-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](C)CO ZINC000162673658 633035247 /nfs/dbraw/zinc/03/52/47/633035247.db2.gz KEOBLJJKLDGFLC-RKDXNWHRSA-N 1 2 243.734 2.152 20 10 BECDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000041015015 636951445 /nfs/dbraw/zinc/95/14/45/636951445.db2.gz FIWAYRATFFTSKA-JTQLQIEISA-N 1 2 231.299 2.275 20 10 BECDLO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)no1 ZINC000921812604 643800619 /nfs/dbraw/zinc/80/06/19/643800619.db2.gz VGIAWYYBWXGCEO-UHFFFAOYSA-N 1 2 244.294 2.289 20 10 BECDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)cc2O)o1 ZINC000877627569 645803427 /nfs/dbraw/zinc/80/34/27/645803427.db2.gz WKUJFAIIHDODII-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nnc(C[N@H+](C)Cc2ccc(C)cc2O)o1 ZINC000877627569 645803430 /nfs/dbraw/zinc/80/34/30/645803430.db2.gz WKUJFAIIHDODII-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](C)O ZINC000386742088 711035614 /nfs/dbraw/zinc/03/56/14/711035614.db2.gz DPVNKYXXSGUICX-KCJUWKMLSA-N 1 2 243.734 2.295 20 10 BECDLO COc1ccc(O)c(C[NH2+][C@H](C)C(F)F)c1 ZINC000389936576 711098120 /nfs/dbraw/zinc/09/81/20/711098120.db2.gz MVCFNNYOQVNOEU-SSDOTTSWSA-N 1 2 231.242 2.144 20 10 BECDLO COc1ccc[nH+]c1NCc1ccccc1O ZINC000161379328 711596835 /nfs/dbraw/zinc/59/68/35/711596835.db2.gz QKKUWFMCMOITCJ-UHFFFAOYSA-N 1 2 230.267 2.408 20 10 BECDLO CO[C@H](C)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000703530163 712077962 /nfs/dbraw/zinc/07/79/62/712077962.db2.gz MVKBKKLLAAGBAG-MRVPVSSYSA-N 1 2 245.269 2.137 20 10 BECDLO CO[C@H](C)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000703530163 712077964 /nfs/dbraw/zinc/07/79/64/712077964.db2.gz MVKBKKLLAAGBAG-MRVPVSSYSA-N 1 2 245.269 2.137 20 10 BECDLO Oc1ccc(Cl)cc1C[NH2+]Cc1c[nH]cn1 ZINC000084080892 1166166421 /nfs/dbraw/zinc/16/64/21/1166166421.db2.gz PSSWBJMRUNLDDQ-UHFFFAOYSA-N 1 2 237.690 2.059 20 10 BECDLO Oc1cc(O)c(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC001232260422 977986941 /nfs/dbraw/zinc/98/69/41/977986941.db2.gz QABRPNGQEJWQBX-QMMMGPOBSA-N 1 2 245.681 2.295 20 10 BECDLO COc1ccc(C[NH+]2CC=CC2)c(O)c1Cl ZINC001236803427 979737507 /nfs/dbraw/zinc/73/75/07/979737507.db2.gz UDGBNQUTMMGUMB-UHFFFAOYSA-N 1 2 239.702 2.426 20 10 BECDLO CCOC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238057463 980132753 /nfs/dbraw/zinc/13/27/53/980132753.db2.gz KXCADQNTZOPNFU-UHFFFAOYSA-N 1 2 239.290 2.060 20 10 BECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001142509130 964346812 /nfs/dbraw/zinc/34/68/12/964346812.db2.gz XWTQGKHDZIXERP-MRVPVSSYSA-N 1 2 231.217 2.214 20 10 BECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)C1 ZINC001142509130 964346821 /nfs/dbraw/zinc/34/68/21/964346821.db2.gz XWTQGKHDZIXERP-MRVPVSSYSA-N 1 2 231.217 2.214 20 10 BECDLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000694341323 967802391 /nfs/dbraw/zinc/80/23/91/967802391.db2.gz CZYFKCKVNAGTTF-PWSUYJOCSA-N 1 2 241.718 2.313 20 10 BECDLO Cc1cc(-c2ccn(C)c(=O)c2)c2[nH+]ccn2c1 ZINC001240989290 968847966 /nfs/dbraw/zinc/84/79/66/968847966.db2.gz XIXKAMBSFGQELB-UHFFFAOYSA-N 1 2 239.278 2.008 20 10 BECDLO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC001232260422 977986930 /nfs/dbraw/zinc/98/69/30/977986930.db2.gz QABRPNGQEJWQBX-QMMMGPOBSA-N 1 2 245.681 2.295 20 10 BECDLO Oc1c(F)c(F)ccc1C[NH+]1CC=CC1 ZINC001233074381 978460243 /nfs/dbraw/zinc/46/02/43/978460243.db2.gz OYYIVQCCBPMZCT-UHFFFAOYSA-N 1 2 211.211 2.042 20 10 BECDLO COc1cc(O)c(C[N@H+](C)CCF)c(Cl)c1 ZINC001236805392 979740186 /nfs/dbraw/zinc/74/01/86/979740186.db2.gz FIOOWBCQKHJJNH-UHFFFAOYSA-N 1 2 247.697 2.456 20 10 BECDLO COc1cc(O)c(C[N@@H+](C)CCF)c(Cl)c1 ZINC001236805392 979740194 /nfs/dbraw/zinc/74/01/94/979740194.db2.gz FIOOWBCQKHJJNH-UHFFFAOYSA-N 1 2 247.697 2.456 20 10 BECDLO Cn1ccc2c1cc[nH+]c2-c1ccc(N)nc1F ZINC001239809145 980949186 /nfs/dbraw/zinc/94/91/86/980949186.db2.gz SKUGQTYSDDQFMI-UHFFFAOYSA-N 1 2 242.257 2.357 20 10 BECDLO Cn1c(=O)cc(C2=C[NH2+]CCC2)c2ccccc21 ZINC001243951903 985657995 /nfs/dbraw/zinc/65/79/95/985657995.db2.gz COXFTORGONDJGC-UHFFFAOYSA-N 1 2 240.306 2.263 20 10 BECDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC001138131150 990886607 /nfs/dbraw/zinc/88/66/07/990886607.db2.gz RUJPIMZKSWDRPN-LBPRGKRZSA-N 1 2 237.274 2.085 20 10 BECDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC001138131150 990886608 /nfs/dbraw/zinc/88/66/08/990886608.db2.gz RUJPIMZKSWDRPN-LBPRGKRZSA-N 1 2 237.274 2.085 20 10 BECDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138123890 990886867 /nfs/dbraw/zinc/88/68/67/990886867.db2.gz QBAXIEDZWHPKQZ-SECBINFHSA-N 1 2 237.274 2.085 20 10 BECDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cccc(F)c1O ZINC001138123890 990886868 /nfs/dbraw/zinc/88/68/68/990886868.db2.gz QBAXIEDZWHPKQZ-SECBINFHSA-N 1 2 237.274 2.085 20 10 BECDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140057812 991508080 /nfs/dbraw/zinc/50/80/80/991508080.db2.gz OGUVXSYLGMEFTK-SECBINFHSA-N 1 2 237.274 2.085 20 10 BECDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140057812 991508088 /nfs/dbraw/zinc/50/80/88/991508088.db2.gz OGUVXSYLGMEFTK-SECBINFHSA-N 1 2 237.274 2.085 20 10 BECDLO Oc1c(Cl)cccc1C[NH+]1CCC(O)CC1 ZINC000132485990 191103327 /nfs/dbraw/zinc/10/33/27/191103327.db2.gz LVCBNRJGOGKXAY-UHFFFAOYSA-N 1 2 241.718 2.002 20 10 BECDLO CCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000183808198 169088810 /nfs/dbraw/zinc/08/88/10/169088810.db2.gz RMZCDJJBQMIYFG-UHFFFAOYSA-N 1 2 237.299 2.085 20 10 BECDLO CCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000183808198 169088813 /nfs/dbraw/zinc/08/88/13/169088813.db2.gz RMZCDJJBQMIYFG-UHFFFAOYSA-N 1 2 237.299 2.085 20 10 BECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366541920 183272681 /nfs/dbraw/zinc/27/26/81/183272681.db2.gz AZEUDVPOZCJLKZ-PWSUYJOCSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366541920 183272684 /nfs/dbraw/zinc/27/26/84/183272684.db2.gz AZEUDVPOZCJLKZ-PWSUYJOCSA-N 1 2 239.702 2.019 20 10 BECDLO C[C@@H](O)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000132509803 384234944 /nfs/dbraw/zinc/23/49/44/384234944.db2.gz BAOFZGVHZKJJFP-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO C[C@@H](O)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000132509803 384234949 /nfs/dbraw/zinc/23/49/49/384234949.db2.gz BAOFZGVHZKJJFP-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162873532 384701045 /nfs/dbraw/zinc/70/10/45/384701045.db2.gz YBCJXDJPDBXJNF-KCJUWKMLSA-N 1 2 241.718 2.313 20 10 BECDLO Cc1nc(N(C)Cc2ccccc2O)cc[nH+]1 ZINC000131413051 386207724 /nfs/dbraw/zinc/20/77/24/386207724.db2.gz KRFZXKZJTMDMSS-UHFFFAOYSA-N 1 2 229.283 2.127 20 10 BECDLO CC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162826924 171184763 /nfs/dbraw/zinc/18/47/63/171184763.db2.gz OXJZLJHZBUUVEY-GFCCVEGCSA-N 1 2 243.734 2.296 20 10 BECDLO COCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191181311 174250760 /nfs/dbraw/zinc/25/07/60/174250760.db2.gz RZPJYLRXYVOQCJ-MRVPVSSYSA-N 1 2 245.269 2.358 20 10 BECDLO COc1ccc2c(c1)CCCC[N@H+]2CCCO ZINC000270835936 175207925 /nfs/dbraw/zinc/20/79/25/175207925.db2.gz DWPYLXZNWSTUSJ-UHFFFAOYSA-N 1 2 235.327 2.220 20 10 BECDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCO ZINC000270835936 175207926 /nfs/dbraw/zinc/20/79/26/175207926.db2.gz DWPYLXZNWSTUSJ-UHFFFAOYSA-N 1 2 235.327 2.220 20 10 BECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)[C@@H](C)CO1 ZINC000226379878 177301388 /nfs/dbraw/zinc/30/13/88/177301388.db2.gz NCPVAFHGTBOLJL-VHSXEESVSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)[C@@H](C)CO1 ZINC000226379878 177301390 /nfs/dbraw/zinc/30/13/90/177301390.db2.gz NCPVAFHGTBOLJL-VHSXEESVSA-N 1 2 239.290 2.141 20 10 BECDLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877541835 583325876 /nfs/dbraw/zinc/32/58/76/583325876.db2.gz SQMJUOZLISXEBB-SFYZADRCSA-N 1 2 245.269 2.183 20 10 BECDLO COc1ccc(N(C)Cc2c[nH+]c[nH]2)cc1F ZINC000894429355 583456614 /nfs/dbraw/zinc/45/66/14/583456614.db2.gz GUKZMAPAMXVJHM-UHFFFAOYSA-N 1 2 235.262 2.194 20 10 BECDLO COc1ccc(N(C)Cc2c[nH]c[nH+]2)cc1F ZINC000894429355 583456617 /nfs/dbraw/zinc/45/66/17/583456617.db2.gz GUKZMAPAMXVJHM-UHFFFAOYSA-N 1 2 235.262 2.194 20 10 BECDLO Cc1n[nH]c(C[N@@H+]2Cc3cccc(O)c3C2)c1C ZINC000895448985 583675811 /nfs/dbraw/zinc/67/58/11/583675811.db2.gz BAYJMZVUNKXYSD-UHFFFAOYSA-N 1 2 243.310 2.248 20 10 BECDLO Cc1n[nH]c(C[N@H+]2Cc3cccc(O)c3C2)c1C ZINC000895448985 583675812 /nfs/dbraw/zinc/67/58/12/583675812.db2.gz BAYJMZVUNKXYSD-UHFFFAOYSA-N 1 2 243.310 2.248 20 10 BECDLO Cc1cnc(C[NH2+]Cc2c(O)cccc2F)o1 ZINC000896639067 583819591 /nfs/dbraw/zinc/81/95/91/583819591.db2.gz UFEQKIGRRKXINK-UHFFFAOYSA-N 1 2 236.246 2.118 20 10 BECDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(F)cc1O ZINC000148664013 584026206 /nfs/dbraw/zinc/02/62/06/584026206.db2.gz CMFIYNYZWRPAJY-MRVPVSSYSA-N 1 2 236.246 2.370 20 10 BECDLO COC1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839131394 585093798 /nfs/dbraw/zinc/09/37/98/585093798.db2.gz TZSAHJKEYUCEDN-SNAWJCMRSA-N 1 2 246.354 2.096 20 10 BECDLO CCOC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839131925 585094002 /nfs/dbraw/zinc/09/40/02/585094002.db2.gz HUXRGQPVXDONET-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756342715 585317906 /nfs/dbraw/zinc/31/79/06/585317906.db2.gz LJKIOSCYBCQVJY-CBAPKCEASA-N 1 2 245.269 2.092 20 10 BECDLO C[C@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756595997 585321702 /nfs/dbraw/zinc/32/17/02/585321702.db2.gz WTIIWBPZRSCPNE-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO CC[N@H+](C[C@H](C)CO)c1ccc(OC)cc1 ZINC000766913764 585511618 /nfs/dbraw/zinc/51/16/18/585511618.db2.gz GINBGHSKAORNSF-NSHDSACASA-N 1 2 223.316 2.150 20 10 BECDLO CC[N@@H+](C[C@H](C)CO)c1ccc(OC)cc1 ZINC000766913764 585511619 /nfs/dbraw/zinc/51/16/19/585511619.db2.gz GINBGHSKAORNSF-NSHDSACASA-N 1 2 223.316 2.150 20 10 BECDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@H](C)CO ZINC000766942175 585512184 /nfs/dbraw/zinc/51/21/84/585512184.db2.gz SXKAKOLCLNHGNU-LBPRGKRZSA-N 1 2 249.354 2.466 20 10 BECDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H](C)CO ZINC000766942175 585512185 /nfs/dbraw/zinc/51/21/85/585512185.db2.gz SXKAKOLCLNHGNU-LBPRGKRZSA-N 1 2 249.354 2.466 20 10 BECDLO CO[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000785573081 585875856 /nfs/dbraw/zinc/87/58/56/585875856.db2.gz MTMSXHCGTWMDQV-JGVFFNPUSA-N 1 2 245.269 2.356 20 10 BECDLO OCc1ccc(NCc2cc(F)ccc2O)[nH+]c1 ZINC000811501622 586559808 /nfs/dbraw/zinc/55/98/08/586559808.db2.gz QCYLSXJFJABPJV-UHFFFAOYSA-N 1 2 248.257 2.031 20 10 BECDLO Cc1ccc(O)c(CNc2ccc(CO)c[nH+]2)c1 ZINC000811500896 586560035 /nfs/dbraw/zinc/56/00/35/586560035.db2.gz AXFRIZROCPKNIS-UHFFFAOYSA-N 1 2 244.294 2.200 20 10 BECDLO Oc1cccc(Cl)c1C[NH2+]C(CF)CF ZINC000824554432 587275860 /nfs/dbraw/zinc/27/58/60/587275860.db2.gz GDEUQVQZQJNNBF-UHFFFAOYSA-N 1 2 235.661 2.443 20 10 BECDLO CN(C)c1ccc(C[NH2+]C(CF)CF)cc1F ZINC000824554637 587275908 /nfs/dbraw/zinc/27/59/08/587275908.db2.gz JEQHSRHQGVUYCV-UHFFFAOYSA-N 1 2 246.276 2.289 20 10 BECDLO C[C@@H]([NH3+])[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000841076625 587943568 /nfs/dbraw/zinc/94/35/68/587943568.db2.gz KIKLMZPLUAYGCA-RQJHMYQMSA-N 1 2 246.713 2.010 20 10 BECDLO Cc1c[nH]c(CN(C)c2ccc3c(c2)OCO3)[nH+]1 ZINC000862307210 589200519 /nfs/dbraw/zinc/20/05/19/589200519.db2.gz UZBIDESMQPBGCG-UHFFFAOYSA-N 1 2 245.282 2.083 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2c(C)cccc2O)no1 ZINC000877642159 590383334 /nfs/dbraw/zinc/38/33/34/590383334.db2.gz QVVYLJXXHZXZPZ-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2c(C)cccc2O)no1 ZINC000877642159 590383336 /nfs/dbraw/zinc/38/33/36/590383336.db2.gz QVVYLJXXHZXZPZ-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Oc1cccc2c1C[N@H+](Cc1nccs1)C2 ZINC000877703731 590397699 /nfs/dbraw/zinc/39/76/99/590397699.db2.gz RMBPYMJHACMJEK-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO Oc1cccc2c1C[N@@H+](Cc1nccs1)C2 ZINC000877703731 590397701 /nfs/dbraw/zinc/39/77/01/590397701.db2.gz RMBPYMJHACMJEK-UHFFFAOYSA-N 1 2 232.308 2.365 20 10 BECDLO CCc1nc(N2Cc3cccc(O)c3C2)cc[nH+]1 ZINC000884572866 591984543 /nfs/dbraw/zinc/98/45/43/591984543.db2.gz XPUWYTWUAUWRFI-UHFFFAOYSA-N 1 2 241.294 2.265 20 10 BECDLO C[C@H](CCCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162871476 635143363 /nfs/dbraw/zinc/14/33/63/635143363.db2.gz LHQJTNCEYLUBOY-SECBINFHSA-N 1 2 243.734 2.296 20 10 BECDLO CC[NH+](CC)C[C@H](C)NCc1ccccc1O ZINC000045690140 711488126 /nfs/dbraw/zinc/48/81/26/711488126.db2.gz IDJSBVJSYQVSMX-LBPRGKRZSA-N 1 2 236.359 2.212 20 10 BECDLO COc1ccc(O)c(CNc2cccc[nH+]2)c1 ZINC000083357307 643438639 /nfs/dbraw/zinc/43/86/39/643438639.db2.gz YAGRDTVHKNUFSA-UHFFFAOYSA-N 1 2 230.267 2.408 20 10 BECDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(F)cc1O ZINC000397866042 711394082 /nfs/dbraw/zinc/39/40/82/711394082.db2.gz ABQXTPRDWDSKAH-QMMMGPOBSA-N 1 2 236.246 2.370 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1C=CCC1 ZINC000708501777 712211919 /nfs/dbraw/zinc/21/19/19/712211919.db2.gz ISQNWVBLMMXAKL-SNVBAGLBSA-N 1 2 225.238 2.479 20 10 BECDLO C[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132608013 962454785 /nfs/dbraw/zinc/45/47/85/962454785.db2.gz RVHJHSNOMGIUQI-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000132608013 962454800 /nfs/dbraw/zinc/45/48/00/962454800.db2.gz RVHJHSNOMGIUQI-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000699764655 966071980 /nfs/dbraw/zinc/07/19/80/966071980.db2.gz WTHRNFCCAQFZGD-LDYMZIIASA-N 1 2 241.718 2.170 20 10 BECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831872 967822076 /nfs/dbraw/zinc/82/20/76/967822076.db2.gz QQJKLXYGLDOIOT-KCJUWKMLSA-N 1 2 227.254 2.321 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831872 967822084 /nfs/dbraw/zinc/82/20/84/967822084.db2.gz QQJKLXYGLDOIOT-KCJUWKMLSA-N 1 2 227.254 2.321 20 10 BECDLO Cc1[nH+]cc(Nc2ccc(N)cc2)cc1N ZINC001210290307 969859483 /nfs/dbraw/zinc/85/94/83/969859483.db2.gz JXLFIAYGGQGADG-UHFFFAOYSA-N 1 2 214.272 2.298 20 10 BECDLO O=C1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590327 977639779 /nfs/dbraw/zinc/63/97/79/977639779.db2.gz UJOLJGXQPJUFTF-UHFFFAOYSA-N 1 2 241.290 2.320 20 10 BECDLO O=C1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590327 977639782 /nfs/dbraw/zinc/63/97/82/977639782.db2.gz UJOLJGXQPJUFTF-UHFFFAOYSA-N 1 2 241.290 2.320 20 10 BECDLO Cc1cccc(C[N@H+](C)Cc2ncccn2)c1O ZINC001231591275 977641061 /nfs/dbraw/zinc/64/10/61/977641061.db2.gz YRZJFILTNLCFOV-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1cccc(C[N@@H+](C)Cc2ncccn2)c1O ZINC001231591275 977641079 /nfs/dbraw/zinc/64/10/79/977641079.db2.gz YRZJFILTNLCFOV-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1cc(C)c(C[N@@H+]2CCCC(=O)C2)c(O)c1 ZINC001231846805 977760583 /nfs/dbraw/zinc/76/05/83/977760583.db2.gz PQXCDICXELBMOY-UHFFFAOYSA-N 1 2 233.311 2.174 20 10 BECDLO Cc1cc(C)c(C[N@H+]2CCCC(=O)C2)c(O)c1 ZINC001231846805 977760593 /nfs/dbraw/zinc/76/05/93/977760593.db2.gz PQXCDICXELBMOY-UHFFFAOYSA-N 1 2 233.311 2.174 20 10 BECDLO CCc1ccc(C[NH+]2C[C@@H](F)[C@H](F)C2)c(O)c1 ZINC001236782835 979729134 /nfs/dbraw/zinc/72/91/34/979729134.db2.gz FNMCNYYTDQGATJ-VXGBXAGGSA-N 1 2 241.281 2.446 20 10 BECDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC1 ZINC001237810121 980060045 /nfs/dbraw/zinc/06/00/45/980060045.db2.gz OVKCYKYJLVAWIZ-UHFFFAOYSA-N 1 2 215.655 2.390 20 10 BECDLO Cn1ccc2c1ncnc2-c1ccc2[nH+]ccn2c1 ZINC001240215225 981164061 /nfs/dbraw/zinc/16/40/61/981164061.db2.gz VRIOJVBPLWVBFV-UHFFFAOYSA-N 1 2 249.277 2.283 20 10 BECDLO Cc1n[nH]cc1-c1[nH+]ccc2c1ccn2C ZINC001240516556 981443484 /nfs/dbraw/zinc/44/34/84/981443484.db2.gz UCXLPSLSLACBOI-UHFFFAOYSA-N 1 2 212.256 2.272 20 10 BECDLO Cn1ccc2c1cc[nH+]c2-c1cnc(N)c(F)c1 ZINC001245513108 986892739 /nfs/dbraw/zinc/89/27/39/986892739.db2.gz RFAWDEWGKMXUCN-UHFFFAOYSA-N 1 2 242.257 2.357 20 10 BECDLO Cc1cc(C[NH+]2CCC(=O)CC2)ccc1N(C)C ZINC001139670166 990804795 /nfs/dbraw/zinc/80/47/95/990804795.db2.gz YQXBFPLGBRLUCD-UHFFFAOYSA-N 1 2 246.354 2.226 20 10 BECDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831845 990856731 /nfs/dbraw/zinc/85/67/31/990856731.db2.gz PRFNPENZYQWOSG-BDAKNGLRSA-N 1 2 227.254 2.464 20 10 BECDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)cccc1F ZINC001137831845 990856734 /nfs/dbraw/zinc/85/67/34/990856734.db2.gz PRFNPENZYQWOSG-BDAKNGLRSA-N 1 2 227.254 2.464 20 10 BECDLO CC[C@@H]([NH2+][C@@H](C)CO)c1cccc(Cl)c1O ZINC000287706473 359515611 /nfs/dbraw/zinc/51/56/11/359515611.db2.gz NYPKYSAPYXGUMA-GZMMTYOYSA-N 1 2 243.734 2.467 20 10 BECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366559474 183292360 /nfs/dbraw/zinc/29/23/60/183292360.db2.gz NJBPBPHBRVHYAJ-PWSUYJOCSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366559474 183292362 /nfs/dbraw/zinc/29/23/62/183292362.db2.gz NJBPBPHBRVHYAJ-PWSUYJOCSA-N 1 2 239.702 2.019 20 10 BECDLO C[C@H]1OCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C ZINC000272287913 385167073 /nfs/dbraw/zinc/16/70/73/385167073.db2.gz NTFOCUYGTNCSCZ-VHSXEESVSA-N 1 2 239.290 2.141 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366563166 385637891 /nfs/dbraw/zinc/63/78/91/385637891.db2.gz XONASYUDGSNPJM-MNOVXSKESA-N 1 2 239.702 2.019 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366563166 385637894 /nfs/dbraw/zinc/63/78/94/385637894.db2.gz XONASYUDGSNPJM-MNOVXSKESA-N 1 2 239.702 2.019 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)O ZINC000271841892 385854506 /nfs/dbraw/zinc/85/45/06/385854506.db2.gz QKIRTJWCJOAJCM-UHFFFAOYSA-N 1 2 243.734 2.248 20 10 BECDLO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)O ZINC000271841892 385854509 /nfs/dbraw/zinc/85/45/09/385854509.db2.gz QKIRTJWCJOAJCM-UHFFFAOYSA-N 1 2 243.734 2.248 20 10 BECDLO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276188671 386283377 /nfs/dbraw/zinc/28/33/77/386283377.db2.gz LNVXKYAVLBUVFA-JGVFFNPUSA-N 1 2 245.269 2.092 20 10 BECDLO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276188674 386284534 /nfs/dbraw/zinc/28/45/34/386284534.db2.gz LNVXKYAVLBUVFA-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO CC[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000293358627 386654806 /nfs/dbraw/zinc/65/48/06/386654806.db2.gz HIIJKOXBNFQTBJ-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@H]([NH2+]C1CC1)c1ccc(F)c(F)c1O ZINC000191179914 386770322 /nfs/dbraw/zinc/77/03/22/386770322.db2.gz ZCHHJTYGZGHHSB-LURJTMIESA-N 1 2 213.227 2.483 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000775985514 583108604 /nfs/dbraw/zinc/10/86/04/583108604.db2.gz MBVSYYONAHWEBO-CHWSQXEVSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000775985514 583108606 /nfs/dbraw/zinc/10/86/06/583108606.db2.gz MBVSYYONAHWEBO-CHWSQXEVSA-N 1 2 248.370 2.225 20 10 BECDLO Oc1ccc(Cl)cc1C[NH2+]CC(F)F ZINC000147370881 583476668 /nfs/dbraw/zinc/47/66/68/583476668.db2.gz AHCWBZJQQURYJL-UHFFFAOYSA-N 1 2 221.634 2.400 20 10 BECDLO CC(C)OC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000895955546 583752517 /nfs/dbraw/zinc/75/25/17/583752517.db2.gz QSDLQENDVRHDLQ-UHFFFAOYSA-N 1 2 239.290 2.141 20 10 BECDLO CCn1ccnc1C[NH2+]Cc1c(O)cccc1F ZINC000896640958 583820431 /nfs/dbraw/zinc/82/04/31/583820431.db2.gz NIDBEITVNCVEKF-UHFFFAOYSA-N 1 2 249.289 2.038 20 10 BECDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(F)cc1O ZINC000148663797 584026280 /nfs/dbraw/zinc/02/62/80/584026280.db2.gz CMFIYNYZWRPAJY-QMMMGPOBSA-N 1 2 236.246 2.370 20 10 BECDLO CCOc1ccc(C[NH2+]CC(F)F)c(O)c1 ZINC000839090471 585090500 /nfs/dbraw/zinc/09/05/00/585090500.db2.gz HFTPZKSODVFKGA-UHFFFAOYSA-N 1 2 231.242 2.146 20 10 BECDLO COCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756344775 585317913 /nfs/dbraw/zinc/31/79/13/585317913.db2.gz SDFLUCRLBHLUDA-QMMMGPOBSA-N 1 2 245.269 2.358 20 10 BECDLO COC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756339581 585318125 /nfs/dbraw/zinc/31/81/25/585318125.db2.gz CGFBBLKIXKCABS-SFYZADRCSA-N 1 2 245.269 2.356 20 10 BECDLO C[C@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756572087 585321529 /nfs/dbraw/zinc/32/15/29/585321529.db2.gz LOVXPCSJERGJGU-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1cccc(CNc2ccc(CO)c[nH+]2)c1O ZINC000788832638 585931018 /nfs/dbraw/zinc/93/10/18/585931018.db2.gz SNNRKUIRMSSBON-UHFFFAOYSA-N 1 2 244.294 2.200 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2ccccc2O)co1 ZINC000821391372 587116118 /nfs/dbraw/zinc/11/61/18/587116118.db2.gz JYFHEKZNKBVNMG-UHFFFAOYSA-N 1 2 232.283 2.321 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2ccccc2O)co1 ZINC000821391372 587116120 /nfs/dbraw/zinc/11/61/20/587116120.db2.gz JYFHEKZNKBVNMG-UHFFFAOYSA-N 1 2 232.283 2.321 20 10 BECDLO CC[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000824534067 587274562 /nfs/dbraw/zinc/27/45/62/587274562.db2.gz ZKYYPODDANCATM-SNVBAGLBSA-N 1 2 243.734 2.248 20 10 BECDLO CC[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000824534067 587274564 /nfs/dbraw/zinc/27/45/64/587274564.db2.gz ZKYYPODDANCATM-SNVBAGLBSA-N 1 2 243.734 2.248 20 10 BECDLO COc1ccc([N@H+](C)C[C@H]2CCOC2)cc1 ZINC000844352651 588187019 /nfs/dbraw/zinc/18/70/19/588187019.db2.gz AOKRGVOHKHJDLM-LLVKDONJSA-N 1 2 221.300 2.168 20 10 BECDLO COc1ccc([N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000844352651 588187021 /nfs/dbraw/zinc/18/70/21/588187021.db2.gz AOKRGVOHKHJDLM-LLVKDONJSA-N 1 2 221.300 2.168 20 10 BECDLO COc1ccc(N(C)Cc2[nH+]ccn2C)cc1 ZINC000844354849 588187552 /nfs/dbraw/zinc/18/75/52/588187552.db2.gz ISSLVVKKMUNBCK-UHFFFAOYSA-N 1 2 231.299 2.065 20 10 BECDLO Cc1cc(NC(=O)c2cccc(O)c2O)cc[nH+]1 ZINC000126473500 590316036 /nfs/dbraw/zinc/31/60/36/590316036.db2.gz AXRACECIYKZLST-UHFFFAOYSA-N 1 2 244.250 2.054 20 10 BECDLO Cn1c[nH+]c(CSc2nccs2)c1 ZINC000882109482 591299256 /nfs/dbraw/zinc/29/92/56/591299256.db2.gz JOZPZVLZFXYQDB-UHFFFAOYSA-N 1 2 211.315 2.169 20 10 BECDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1c(O)cccc1F ZINC000886524879 592245619 /nfs/dbraw/zinc/24/56/19/592245619.db2.gz SRJPDPKHOQRGDH-MRVPVSSYSA-N 1 2 235.262 2.105 20 10 BECDLO C[C@@H]([NH2+]Cc1cocn1)c1c(O)cccc1F ZINC000886573912 592265113 /nfs/dbraw/zinc/26/51/13/592265113.db2.gz CDKMKSXCTOWZMD-MRVPVSSYSA-N 1 2 236.246 2.370 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]Cc1cocn1 ZINC000309488564 632419433 /nfs/dbraw/zinc/41/94/33/632419433.db2.gz HNQZNRFIFDSLCY-UHFFFAOYSA-N 1 2 238.674 2.323 20 10 BECDLO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162673797 634272921 /nfs/dbraw/zinc/27/29/21/634272921.db2.gz KEOBLJJKLDGFLC-IUCAKERBSA-N 1 2 243.734 2.152 20 10 BECDLO COC[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162824940 635134029 /nfs/dbraw/zinc/13/40/29/635134029.db2.gz KBISHFCXWFORRG-QMMMGPOBSA-N 1 2 229.707 2.170 20 10 BECDLO COc1ccc(C[NH2+]Cc2cocn2)cc1C ZINC000237252065 636121710 /nfs/dbraw/zinc/12/17/10/636121710.db2.gz VIIYMBJQYCINLK-UHFFFAOYSA-N 1 2 232.283 2.281 20 10 BECDLO CSCC[NH2+]Cc1cccc(Cl)c1O ZINC000157755611 640730857 /nfs/dbraw/zinc/73/08/57/640730857.db2.gz HGEWMTVUIRWUDH-UHFFFAOYSA-N 1 2 231.748 2.498 20 10 BECDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1c(O)cccc1F ZINC000886558829 645888160 /nfs/dbraw/zinc/88/81/60/645888160.db2.gz SXYZZHQZSDPVBM-SECBINFHSA-N 1 2 249.289 2.116 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C1CSC1 ZINC000701980458 712034351 /nfs/dbraw/zinc/03/43/51/712034351.db2.gz NJXIHIAPCFBPOC-UHFFFAOYSA-N 1 2 229.732 2.251 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH2+]CC1CC1 ZINC000708391538 712191802 /nfs/dbraw/zinc/19/18/02/712191802.db2.gz UYRAWJXLWVGTJA-UHFFFAOYSA-N 1 2 213.227 2.170 20 10 BECDLO C[C@@H]([NH2+]CCN)c1ccc2ccccc2c1O ZINC000037712371 712744758 /nfs/dbraw/zinc/74/47/58/712744758.db2.gz YSIWCFLUYQXANJ-SNVBAGLBSA-N 1 2 230.311 2.155 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1F ZINC001233332608 978562456 /nfs/dbraw/zinc/56/24/56/978562456.db2.gz QUOKBKIKRDFSAQ-XCBNKYQSSA-N 1 2 245.244 2.460 20 10 BECDLO CNc1ccccc1NCc1cc[nH+]c(N)c1 ZINC001167618083 959092167 /nfs/dbraw/zinc/09/21/67/959092167.db2.gz DIUOWHRWGXSEKE-UHFFFAOYSA-N 1 2 228.299 2.318 20 10 BECDLO CN(C)c1ccc(C[NH2+]Cc2cocn2)cc1F ZINC000237093018 962172398 /nfs/dbraw/zinc/17/23/98/962172398.db2.gz IWVRHVGAWHGKHT-UHFFFAOYSA-N 1 2 249.289 2.170 20 10 BECDLO CNc1ccc(Nc2cccc(O)c2O)c[nH+]1 ZINC001203456763 966829958 /nfs/dbraw/zinc/82/99/58/966829958.db2.gz VHPXGHDSPPICLF-UHFFFAOYSA-N 1 2 231.255 2.278 20 10 BECDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1F ZINC001233332608 978562443 /nfs/dbraw/zinc/56/24/43/978562443.db2.gz QUOKBKIKRDFSAQ-XCBNKYQSSA-N 1 2 245.244 2.460 20 10 BECDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(N)cc2)n1 ZINC001345159349 980569345 /nfs/dbraw/zinc/56/93/45/980569345.db2.gz GUPDQCYKUIQLMO-VIFPVBQESA-N 1 2 246.314 2.153 20 10 BECDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(N)cc2)n1 ZINC001345159349 980569350 /nfs/dbraw/zinc/56/93/50/980569350.db2.gz GUPDQCYKUIQLMO-VIFPVBQESA-N 1 2 246.314 2.153 20 10 BECDLO Cc1ccc(O)c(CNc2cc[nH+]c(C)n2)c1 ZINC001472836081 983357315 /nfs/dbraw/zinc/35/73/15/983357315.db2.gz WFVRTXZGKADPCD-UHFFFAOYSA-N 1 2 229.283 2.411 20 10 BECDLO Cc1cc(C[NH+]2CC3(CCO3)C2)ccc1N(C)C ZINC001139672833 991310447 /nfs/dbraw/zinc/31/04/47/991310447.db2.gz IDOYXIQBGPJEPG-UHFFFAOYSA-N 1 2 246.354 2.036 20 10 BECDLO Cc1ccc(C)c(C[N@@H+]2CCCC(=O)C2)c1O ZINC001140182196 991558070 /nfs/dbraw/zinc/55/80/70/991558070.db2.gz KBNUYHJMAUOVSK-UHFFFAOYSA-N 1 2 233.311 2.174 20 10 BECDLO Cc1ccc(C)c(C[N@H+]2CCCC(=O)C2)c1O ZINC001140182196 991558081 /nfs/dbraw/zinc/55/80/81/991558081.db2.gz KBNUYHJMAUOVSK-UHFFFAOYSA-N 1 2 233.311 2.174 20 10 BECDLO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001140466673 991643497 /nfs/dbraw/zinc/64/34/97/991643497.db2.gz KLLSUKYYSQQDQS-QWRGUYRKSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001140466673 991643500 /nfs/dbraw/zinc/64/35/00/991643500.db2.gz KLLSUKYYSQQDQS-QWRGUYRKSA-N 1 2 239.702 2.019 20 10 BECDLO Cc1cc(N(C)Cc2ccccc2O)nc[nH+]1 ZINC000089635492 345557503 /nfs/dbraw/zinc/55/75/03/345557503.db2.gz FAKLZXHXHLLVLB-UHFFFAOYSA-N 1 2 229.283 2.127 20 10 BECDLO Cc1cccc(C[NH2+]CC(F)F)c1O ZINC000159153877 179091171 /nfs/dbraw/zinc/09/11/71/179091171.db2.gz GSHXKABKRVPMHZ-UHFFFAOYSA-N 1 2 201.216 2.055 20 10 BECDLO CC[C@@H](O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162709069 346535350 /nfs/dbraw/zinc/53/53/50/346535350.db2.gz ODSOXSPLKALLMI-SNVBAGLBSA-N 1 2 243.734 2.296 20 10 BECDLO Cc1nc([C@H](C)[N@H+](C)Cc2ccccc2O)no1 ZINC000278542579 180046694 /nfs/dbraw/zinc/04/66/94/180046694.db2.gz GLZWMVHCLARWBE-VIFPVBQESA-N 1 2 247.298 2.277 20 10 BECDLO Cc1nc([C@H](C)[N@@H+](C)Cc2ccccc2O)no1 ZINC000278542579 180046695 /nfs/dbraw/zinc/04/66/95/180046695.db2.gz GLZWMVHCLARWBE-VIFPVBQESA-N 1 2 247.298 2.277 20 10 BECDLO CC[C@@H]([NH2+][C@H](C)CO)c1cccc(Cl)c1O ZINC000287706500 359515586 /nfs/dbraw/zinc/51/55/86/359515586.db2.gz NYPKYSAPYXGUMA-LDYMZIIASA-N 1 2 243.734 2.467 20 10 BECDLO OC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000132487127 183150246 /nfs/dbraw/zinc/15/02/46/183150246.db2.gz COINNAJGCVIGME-SNVBAGLBSA-N 1 2 241.718 2.002 20 10 BECDLO OC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000132487127 183150249 /nfs/dbraw/zinc/15/02/49/183150249.db2.gz COINNAJGCVIGME-SNVBAGLBSA-N 1 2 241.718 2.002 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000132481044 384234359 /nfs/dbraw/zinc/23/43/59/384234359.db2.gz JYCIRLIOAGJPOB-SNVBAGLBSA-N 1 2 241.718 2.002 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000132481044 384234367 /nfs/dbraw/zinc/23/43/67/384234367.db2.gz JYCIRLIOAGJPOB-SNVBAGLBSA-N 1 2 241.718 2.002 20 10 BECDLO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccccc1O ZINC000289857800 384241331 /nfs/dbraw/zinc/24/13/31/384241331.db2.gz QEGCMLUDURLVKS-GFCCVEGCSA-N 1 2 236.359 2.211 20 10 BECDLO CC(C)[N@H+](C)C[C@@H](C)NCc1ccccc1O ZINC000289857800 384241336 /nfs/dbraw/zinc/24/13/36/384241336.db2.gz QEGCMLUDURLVKS-GFCCVEGCSA-N 1 2 236.359 2.211 20 10 BECDLO C[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000162717371 384671378 /nfs/dbraw/zinc/67/13/78/384671378.db2.gz BIBATFCFONGLKO-GFCCVEGCSA-N 1 2 241.718 2.314 20 10 BECDLO C[C@H](C[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000163729191 384851147 /nfs/dbraw/zinc/85/11/47/384851147.db2.gz JLZVSXQWROTRRX-SECBINFHSA-N 1 2 242.750 2.085 20 10 BECDLO CC[N@H+](CCCO)Cc1cccc(Cl)c1O ZINC000271880287 385857140 /nfs/dbraw/zinc/85/71/40/385857140.db2.gz UYKIECZCEYVUOO-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO CC[N@@H+](CCCO)Cc1cccc(Cl)c1O ZINC000271880287 385857144 /nfs/dbraw/zinc/85/71/44/385857144.db2.gz UYKIECZCEYVUOO-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO Nc1cc(CSc2nccs2)cc[nH+]1 ZINC000052756534 386121456 /nfs/dbraw/zinc/12/14/56/386121456.db2.gz QIVISNASHQCKKR-UHFFFAOYSA-N 1 2 223.326 2.413 20 10 BECDLO COc1ccc(O)c([C@@H](C)[NH2+]CC(F)F)c1 ZINC000147326108 175159739 /nfs/dbraw/zinc/15/97/39/175159739.db2.gz LCLUVTBJNQZFIY-SSDOTTSWSA-N 1 2 231.242 2.317 20 10 BECDLO COc1cccc(CNc2cc(C)[nH+]cn2)c1O ZINC000301244631 175269232 /nfs/dbraw/zinc/26/92/32/175269232.db2.gz PKCNVIPHUBIWIH-UHFFFAOYSA-N 1 2 245.282 2.111 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000775985516 583108319 /nfs/dbraw/zinc/10/83/19/583108319.db2.gz MBVSYYONAHWEBO-OLZOCXBDSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000775985516 583108320 /nfs/dbraw/zinc/10/83/20/583108320.db2.gz MBVSYYONAHWEBO-OLZOCXBDSA-N 1 2 248.370 2.225 20 10 BECDLO Oc1ccccc1C[N@@H+]1CC[C@@H]1C(F)F ZINC000895436712 583674817 /nfs/dbraw/zinc/67/48/17/583674817.db2.gz POLBIQRRZPQEKV-SECBINFHSA-N 1 2 213.227 2.232 20 10 BECDLO Oc1ccccc1C[N@H+]1CC[C@@H]1C(F)F ZINC000895436712 583674819 /nfs/dbraw/zinc/67/48/19/583674819.db2.gz POLBIQRRZPQEKV-SECBINFHSA-N 1 2 213.227 2.232 20 10 BECDLO CN(C)c1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000757388067 585334482 /nfs/dbraw/zinc/33/44/82/585334482.db2.gz NBIDLTWXUSKFCT-UHFFFAOYSA-N 1 2 244.342 2.108 20 10 BECDLO CN(C)c1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000757388067 585334483 /nfs/dbraw/zinc/33/44/83/585334483.db2.gz NBIDLTWXUSKFCT-UHFFFAOYSA-N 1 2 244.342 2.108 20 10 BECDLO COc1ccc2c(c1)CCC[N@H+]2C[C@@H](C)CO ZINC000766895524 585509244 /nfs/dbraw/zinc/50/92/44/585509244.db2.gz OXLWHGRKRKRNOT-LLVKDONJSA-N 1 2 235.327 2.076 20 10 BECDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@@H](C)CO ZINC000766895524 585509245 /nfs/dbraw/zinc/50/92/45/585509245.db2.gz OXLWHGRKRKRNOT-LLVKDONJSA-N 1 2 235.327 2.076 20 10 BECDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000788269062 585920033 /nfs/dbraw/zinc/92/00/33/585920033.db2.gz LBZLIBOVSRGFRV-WPRPVWTQSA-N 1 2 241.718 2.001 20 10 BECDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000788269062 585920034 /nfs/dbraw/zinc/92/00/34/585920034.db2.gz LBZLIBOVSRGFRV-WPRPVWTQSA-N 1 2 241.718 2.001 20 10 BECDLO CN(C)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824548954 587275414 /nfs/dbraw/zinc/27/54/14/587275414.db2.gz UAUAZKDSTQKMKG-UHFFFAOYSA-N 1 2 228.286 2.150 20 10 BECDLO Cc1nnc(C[N@@H+](C)Cc2cc(C)ccc2O)o1 ZINC000827039280 587368502 /nfs/dbraw/zinc/36/85/02/587368502.db2.gz MPIVRXHJQWWUAI-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nnc(C[N@H+](C)Cc2cc(C)ccc2O)o1 ZINC000827039280 587368503 /nfs/dbraw/zinc/36/85/03/587368503.db2.gz MPIVRXHJQWWUAI-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO CC[N@H+](CC[C@H](C)O)c1ccc(OC)cc1 ZINC000828172541 587423030 /nfs/dbraw/zinc/42/30/30/587423030.db2.gz HCOXFEUYMCADNL-NSHDSACASA-N 1 2 223.316 2.292 20 10 BECDLO CC[N@@H+](CC[C@H](C)O)c1ccc(OC)cc1 ZINC000828172541 587423032 /nfs/dbraw/zinc/42/30/32/587423032.db2.gz HCOXFEUYMCADNL-NSHDSACASA-N 1 2 223.316 2.292 20 10 BECDLO COc1ccc(N(C)CCCn2cc[nH+]c2)cc1 ZINC000844353196 588186978 /nfs/dbraw/zinc/18/69/78/588186978.db2.gz QOJHNPIFERHMDS-UHFFFAOYSA-N 1 2 245.326 2.418 20 10 BECDLO COC[C@H](C)C[N@H+](C)c1ccc(OC)cc1 ZINC000845998775 588253083 /nfs/dbraw/zinc/25/30/83/588253083.db2.gz PRGBLEQMKAREFP-LLVKDONJSA-N 1 2 223.316 2.414 20 10 BECDLO COC[C@H](C)C[N@@H+](C)c1ccc(OC)cc1 ZINC000845998775 588253084 /nfs/dbraw/zinc/25/30/84/588253084.db2.gz PRGBLEQMKAREFP-LLVKDONJSA-N 1 2 223.316 2.414 20 10 BECDLO COc1ccc(N(C)Cc2[nH]cc(C)[nH+]2)cc1 ZINC000862401102 589209157 /nfs/dbraw/zinc/20/91/57/589209157.db2.gz KYAFKAPEEXZNGQ-UHFFFAOYSA-N 1 2 231.299 2.363 20 10 BECDLO Oc1c(C[NH+]2CC(C(F)F)C2)ccc(F)c1F ZINC000877580188 590365001 /nfs/dbraw/zinc/36/50/01/590365001.db2.gz HGHOQUAJKNAIRK-UHFFFAOYSA-N 1 2 249.207 2.367 20 10 BECDLO CCn1cncc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703135 590396845 /nfs/dbraw/zinc/39/68/45/590396845.db2.gz SLOVGJSIJAVQET-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO CCn1cncc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703135 590396847 /nfs/dbraw/zinc/39/68/47/590396847.db2.gz SLOVGJSIJAVQET-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO Cc1nc(NCc2ccccc2O)cc[nH+]1 ZINC000127175983 590588199 /nfs/dbraw/zinc/58/81/99/590588199.db2.gz SURZBGFVAWVZDA-UHFFFAOYSA-N 1 2 215.256 2.103 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000132473686 591711395 /nfs/dbraw/zinc/71/13/95/591711395.db2.gz DWKUKKGLTNJGTP-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]([NH2+]Cc1ccon1)c1c(O)cccc1F ZINC000886536191 592251328 /nfs/dbraw/zinc/25/13/28/592251328.db2.gz CNFKOSOJLJBROU-QMMMGPOBSA-N 1 2 236.246 2.370 20 10 BECDLO C[C@@H](N[C@@H](C)C[NH+](C)C)c1c(O)cccc1F ZINC000886609350 592274108 /nfs/dbraw/zinc/27/41/08/592274108.db2.gz RAMSLZLOBRGBSV-VHSXEESVSA-N 1 2 240.322 2.132 20 10 BECDLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162673538 633035467 /nfs/dbraw/zinc/03/54/67/633035467.db2.gz KEOBLJJKLDGFLC-DTWKUNHWSA-N 1 2 243.734 2.152 20 10 BECDLO CN(CC[NH3+])Cc1cc(Cl)cc(Cl)c1O ZINC000054416773 636636914 /nfs/dbraw/zinc/63/69/14/636636914.db2.gz QVAZYLVFSQQKBC-UHFFFAOYSA-N 1 2 249.141 2.090 20 10 BECDLO Cc1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000227083856 640813212 /nfs/dbraw/zinc/81/32/12/640813212.db2.gz UKPGWLXUIUAXAN-UHFFFAOYSA-N 1 2 244.294 2.208 20 10 BECDLO Cc1nnc(C[N@@H+](C)Cc2c(C)cccc2O)o1 ZINC000877627702 645802381 /nfs/dbraw/zinc/80/23/81/645802381.db2.gz XBIPDDZHGKYTBS-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nnc(C[N@H+](C)Cc2c(C)cccc2O)o1 ZINC000877627702 645802384 /nfs/dbraw/zinc/80/23/84/645802384.db2.gz XBIPDDZHGKYTBS-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO COC[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162825054 711810138 /nfs/dbraw/zinc/81/01/38/711810138.db2.gz KBISHFCXWFORRG-MRVPVSSYSA-N 1 2 229.707 2.170 20 10 BECDLO COCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487506 712210986 /nfs/dbraw/zinc/21/09/86/712210986.db2.gz YZQDSMFGUVSBJJ-UHFFFAOYSA-N 1 2 245.269 2.185 20 10 BECDLO CC[C@@H]([NH2+]CCO)c1cccc(Cl)c1O ZINC000389905853 711097248 /nfs/dbraw/zinc/09/72/48/711097248.db2.gz GQHIEMUSMRXJQT-SNVBAGLBSA-N 1 2 229.707 2.079 20 10 BECDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(F)F ZINC000389934339 711098831 /nfs/dbraw/zinc/09/88/31/711098831.db2.gz HIGNZEZUVGLMIM-QMMMGPOBSA-N 1 2 227.254 2.365 20 10 BECDLO OCCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309528801 1166643458 /nfs/dbraw/zinc/64/34/58/1166643458.db2.gz VLPRYRZUYURTPT-UHFFFAOYSA-N 1 2 247.697 2.047 20 10 BECDLO Oc1ccc(F)c(F)c1C[NH+]1CCSCC1 ZINC001233332481 978563150 /nfs/dbraw/zinc/56/31/50/978563150.db2.gz MOLKZXCELABKCR-UHFFFAOYSA-N 1 2 245.294 2.219 20 10 BECDLO C[C@H]1CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233332301 978567676 /nfs/dbraw/zinc/56/76/76/978567676.db2.gz GOZDCGKYYCSUFS-ZETCQYMHSA-N 1 2 213.227 2.265 20 10 BECDLO Cc1cccc(O)c1C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001237485788 979910422 /nfs/dbraw/zinc/91/04/22/979910422.db2.gz SKNVUBATENCERG-GHMZBOCLSA-N 1 2 227.254 2.192 20 10 BECDLO Oc1ccccc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000828014174 972265245 /nfs/dbraw/zinc/26/52/45/972265245.db2.gz WISHCYMJTJHNMT-UHFFFAOYSA-N 1 2 243.310 2.064 20 10 BECDLO Oc1ccccc1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000828014174 972265249 /nfs/dbraw/zinc/26/52/49/972265249.db2.gz WISHCYMJTJHNMT-UHFFFAOYSA-N 1 2 243.310 2.064 20 10 BECDLO CN(C)c1ccc(NCc2ccccc2O)[nH+]c1 ZINC000150904288 959754471 /nfs/dbraw/zinc/75/44/71/959754471.db2.gz QOUYDCBSVQOOJF-UHFFFAOYSA-N 1 2 243.310 2.465 20 10 BECDLO CN(C)c1ccc(C[N@H+](C)Cc2ncco2)cc1 ZINC001141010043 960814128 /nfs/dbraw/zinc/81/41/28/960814128.db2.gz BFAJUZSJDXJPFX-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO CN(C)c1ccc(C[N@@H+](C)Cc2ncco2)cc1 ZINC001141010043 960814129 /nfs/dbraw/zinc/81/41/29/960814129.db2.gz BFAJUZSJDXJPFX-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO C[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132607804 962460001 /nfs/dbraw/zinc/46/00/01/962460001.db2.gz RVHJHSNOMGIUQI-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000132607804 962460006 /nfs/dbraw/zinc/46/00/06/962460006.db2.gz RVHJHSNOMGIUQI-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO COc1c[nH]ccc1=[NH+]c1cc(C)ccc1O ZINC001211263144 970208740 /nfs/dbraw/zinc/20/87/40/970208740.db2.gz HVCFKNRDXBMFJZ-UHFFFAOYSA-N 1 2 230.267 2.270 20 10 BECDLO COC1C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231866381 977777100 /nfs/dbraw/zinc/77/71/00/977777100.db2.gz FXRWGUCVNKRAKB-UHFFFAOYSA-N 1 2 241.718 2.185 20 10 BECDLO COc1cc[nH+]cc1Nc1cccc(O)c1O ZINC001176121147 977950272 /nfs/dbraw/zinc/95/02/72/977950272.db2.gz PYVNALBQXOYBFG-UHFFFAOYSA-N 1 2 232.239 2.245 20 10 BECDLO C[C@@H]1CC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233332300 978565469 /nfs/dbraw/zinc/56/54/69/978565469.db2.gz GOZDCGKYYCSUFS-SSDOTTSWSA-N 1 2 213.227 2.265 20 10 BECDLO C[NH+](C)Cc1cc(F)cc(Br)c1O ZINC001235297603 979020901 /nfs/dbraw/zinc/02/09/01/979020901.db2.gz OEIUBMJIWANCOL-UHFFFAOYSA-N 1 2 248.095 2.355 20 10 BECDLO Oc1cc(Cl)ccc1C[NH2+]CC(F)F ZINC001181589931 979189625 /nfs/dbraw/zinc/18/96/25/979189625.db2.gz MXOTZNJAUXPEKG-UHFFFAOYSA-N 1 2 221.634 2.400 20 10 BECDLO Cc1nc2c(o1)CC[N@H+](Cc1ccccc1O)C2 ZINC001203562206 979796760 /nfs/dbraw/zinc/79/67/60/979796760.db2.gz FAHBJMZNSAWHSD-UHFFFAOYSA-N 1 2 244.294 2.247 20 10 BECDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccccc1O)C2 ZINC001203562206 979796762 /nfs/dbraw/zinc/79/67/62/979796762.db2.gz FAHBJMZNSAWHSD-UHFFFAOYSA-N 1 2 244.294 2.247 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1CC[C@H](F)C1 ZINC001137833226 990853480 /nfs/dbraw/zinc/85/34/80/990853480.db2.gz XPEHYYOTFOCOMO-QMMMGPOBSA-N 1 2 213.227 2.075 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1CC[C@H](F)C1 ZINC001137833226 990853482 /nfs/dbraw/zinc/85/34/82/990853482.db2.gz XPEHYYOTFOCOMO-QMMMGPOBSA-N 1 2 213.227 2.075 20 10 BECDLO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)C(F)F ZINC001308914416 991210296 /nfs/dbraw/zinc/21/02/96/991210296.db2.gz ODXKXMOEQPFDJL-YFKPBYRVSA-N 1 2 237.196 2.414 20 10 BECDLO CC[C@@H]([NH2+]CCCO)c1cccc(Cl)c1O ZINC000286946214 398136003 /nfs/dbraw/zinc/13/60/03/398136003.db2.gz MLBDDUKRGXQHFN-LLVKDONJSA-N 1 2 243.734 2.469 20 10 BECDLO C[C@@H](CNCc1c(O)cccc1Cl)[NH+](C)C ZINC000083552437 398284079 /nfs/dbraw/zinc/28/40/79/398284079.db2.gz YYYAZDIRHOOINU-VIFPVBQESA-N 1 2 242.750 2.085 20 10 BECDLO CC[N@@H+](Cc1ccccc1O)CC(F)F ZINC000184091235 347917802 /nfs/dbraw/zinc/91/78/02/347917802.db2.gz QVEIRBUCGGZXRP-UHFFFAOYSA-N 1 2 215.243 2.479 20 10 BECDLO CC[N@H+](Cc1ccccc1O)CC(F)F ZINC000184091235 347917804 /nfs/dbraw/zinc/91/78/04/347917804.db2.gz QVEIRBUCGGZXRP-UHFFFAOYSA-N 1 2 215.243 2.479 20 10 BECDLO CC[N@@H+](Cc1cccc(OC)c1O)CC(F)F ZINC000184093336 347923264 /nfs/dbraw/zinc/92/32/64/347923264.db2.gz QRKCDOUIKIYOIZ-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO CC[N@H+](Cc1cccc(OC)c1O)CC(F)F ZINC000184093336 347923266 /nfs/dbraw/zinc/92/32/66/347923266.db2.gz QRKCDOUIKIYOIZ-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO Oc1cccc(Cl)c1C[NH2+]CC(F)F ZINC000147359151 183292691 /nfs/dbraw/zinc/29/26/91/183292691.db2.gz QFAHAAUXZRBOOE-UHFFFAOYSA-N 1 2 221.634 2.400 20 10 BECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366559471 183293278 /nfs/dbraw/zinc/29/32/78/183293278.db2.gz NJBPBPHBRVHYAJ-CMPLNLGQSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366559471 183293280 /nfs/dbraw/zinc/29/32/80/183293280.db2.gz NJBPBPHBRVHYAJ-CMPLNLGQSA-N 1 2 239.702 2.019 20 10 BECDLO C[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000162717235 384673103 /nfs/dbraw/zinc/67/31/03/384673103.db2.gz BIBATFCFONGLKO-LBPRGKRZSA-N 1 2 241.718 2.314 20 10 BECDLO CC(C)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162630028 384655361 /nfs/dbraw/zinc/65/53/61/384655361.db2.gz SZZMPOJUEDYUOA-NSHDSACASA-N 1 2 243.734 2.152 20 10 BECDLO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162873319 384700440 /nfs/dbraw/zinc/70/04/40/384700440.db2.gz YBCJXDJPDBXJNF-LDYMZIIASA-N 1 2 241.718 2.313 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCOC1 ZINC000162860351 384700760 /nfs/dbraw/zinc/70/07/60/384700760.db2.gz SXLQQJBLHJBYAR-SNVBAGLBSA-N 1 2 241.718 2.314 20 10 BECDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccccc1O ZINC000186420733 384841334 /nfs/dbraw/zinc/84/13/34/384841334.db2.gz TYPWATGUQZDLSY-SNVBAGLBSA-N 1 2 245.269 2.061 20 10 BECDLO C[C@@H]1OCC[N@H+](Cc2cccc(F)c2O)[C@H]1C ZINC000272287910 385166075 /nfs/dbraw/zinc/16/60/75/385166075.db2.gz NTFOCUYGTNCSCZ-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1OCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C ZINC000272287910 385166083 /nfs/dbraw/zinc/16/60/83/385166083.db2.gz NTFOCUYGTNCSCZ-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366563168 385636998 /nfs/dbraw/zinc/63/69/98/385636998.db2.gz XONASYUDGSNPJM-WDEREUQCSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366563168 385637002 /nfs/dbraw/zinc/63/70/02/385637002.db2.gz XONASYUDGSNPJM-WDEREUQCSA-N 1 2 239.702 2.019 20 10 BECDLO CN(C)c1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000265918693 386384797 /nfs/dbraw/zinc/38/47/97/386384797.db2.gz LXCJTAWCDHCRPF-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000265918693 386384801 /nfs/dbraw/zinc/38/48/01/386384801.db2.gz LXCJTAWCDHCRPF-UHFFFAOYSA-N 1 2 245.326 2.373 20 10 BECDLO C[N@H+](CCF)Cc1cccc(Cl)c1O ZINC000293685726 386862067 /nfs/dbraw/zinc/86/20/67/386862067.db2.gz QCNFHTJKFUWNIR-UHFFFAOYSA-N 1 2 217.671 2.447 20 10 BECDLO C[N@@H+](CCF)Cc1cccc(Cl)c1O ZINC000293685726 386862070 /nfs/dbraw/zinc/86/20/70/386862070.db2.gz QCNFHTJKFUWNIR-UHFFFAOYSA-N 1 2 217.671 2.447 20 10 BECDLO CN(Cc1ccccc1O)c1cccc[nH+]1 ZINC000302654039 386929852 /nfs/dbraw/zinc/92/98/52/386929852.db2.gz NSJHCAHPJAKKOJ-UHFFFAOYSA-N 1 2 214.268 2.424 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296636158 388425183 /nfs/dbraw/zinc/42/51/83/388425183.db2.gz COEMIMNPEYINOM-LBPRGKRZSA-N 1 2 243.310 2.201 20 10 BECDLO CC(C)(O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000274902966 389049214 /nfs/dbraw/zinc/04/92/14/389049214.db2.gz HJNDURNXJRWHQH-UHFFFAOYSA-N 1 2 243.734 2.296 20 10 BECDLO CCOC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297319839 170336066 /nfs/dbraw/zinc/33/60/66/170336066.db2.gz CQDWICXSMCAURT-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO COCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191181293 174249770 /nfs/dbraw/zinc/24/97/70/174249770.db2.gz RZPJYLRXYVOQCJ-QMMMGPOBSA-N 1 2 245.269 2.358 20 10 BECDLO COc1ccc(O)c([C@H](C)[NH2+]CC(F)F)c1 ZINC000147325903 175160593 /nfs/dbraw/zinc/16/05/93/175160593.db2.gz LCLUVTBJNQZFIY-ZETCQYMHSA-N 1 2 231.242 2.317 20 10 BECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000162807823 176306250 /nfs/dbraw/zinc/30/62/50/176306250.db2.gz YCTUAZMEWLUSAS-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000162807823 176306251 /nfs/dbraw/zinc/30/62/51/176306251.db2.gz YCTUAZMEWLUSAS-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162813866 177292563 /nfs/dbraw/zinc/29/25/63/177292563.db2.gz KWXBJHJAENYGBK-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162813866 177292564 /nfs/dbraw/zinc/29/25/64/177292564.db2.gz KWXBJHJAENYGBK-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO COCC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000895971937 583756392 /nfs/dbraw/zinc/75/63/92/583756392.db2.gz YCNZFIIJOHBYAS-UHFFFAOYSA-N 1 2 241.718 2.124 20 10 BECDLO Oc1ccc(F)cc1C[N@@H+]1CCn2cccc2C1 ZINC000896761427 583831337 /nfs/dbraw/zinc/83/13/37/583831337.db2.gz NXHULZDTZYDFSC-UHFFFAOYSA-N 1 2 246.285 2.349 20 10 BECDLO Oc1ccc(F)cc1C[N@H+]1CCn2cccc2C1 ZINC000896761427 583831339 /nfs/dbraw/zinc/83/13/39/583831339.db2.gz NXHULZDTZYDFSC-UHFFFAOYSA-N 1 2 246.285 2.349 20 10 BECDLO Cc1ccnc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000756585753 585321735 /nfs/dbraw/zinc/32/17/35/585321735.db2.gz LERVKXACUIXVMF-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO Cc1ccnc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000756585753 585321736 /nfs/dbraw/zinc/32/17/36/585321736.db2.gz LERVKXACUIXVMF-UHFFFAOYSA-N 1 2 243.310 2.123 20 10 BECDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H](C)CO ZINC000766942173 585512173 /nfs/dbraw/zinc/51/21/73/585512173.db2.gz SXKAKOLCLNHGNU-GFCCVEGCSA-N 1 2 249.354 2.466 20 10 BECDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H](C)CO ZINC000766942173 585512174 /nfs/dbraw/zinc/51/21/74/585512174.db2.gz SXKAKOLCLNHGNU-GFCCVEGCSA-N 1 2 249.354 2.466 20 10 BECDLO COC[C@@H](C)C[N@H+](C)c1ccc(OC)cc1 ZINC000845998776 588253001 /nfs/dbraw/zinc/25/30/01/588253001.db2.gz PRGBLEQMKAREFP-NSHDSACASA-N 1 2 223.316 2.414 20 10 BECDLO COC[C@@H](C)C[N@@H+](C)c1ccc(OC)cc1 ZINC000845998776 588253002 /nfs/dbraw/zinc/25/30/02/588253002.db2.gz PRGBLEQMKAREFP-NSHDSACASA-N 1 2 223.316 2.414 20 10 BECDLO Cc1cc(NCc2ccccc2O)nc[nH+]1 ZINC000123352103 589691349 /nfs/dbraw/zinc/69/13/49/589691349.db2.gz ZKGLANJIPGFUHF-UHFFFAOYSA-N 1 2 215.256 2.103 20 10 BECDLO Oc1c(C[NH2+]C(CF)CF)ccc(F)c1F ZINC000877559231 590358751 /nfs/dbraw/zinc/35/87/51/590358751.db2.gz KAFKHRKVYJFHAU-UHFFFAOYSA-N 1 2 237.196 2.068 20 10 BECDLO Cc1noc(C[N@@H+](C)Cc2c(C)cccc2O)n1 ZINC000877618706 590376470 /nfs/dbraw/zinc/37/64/70/590376470.db2.gz CQCOYXHVGXYKIW-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1noc(C[N@H+](C)Cc2c(C)cccc2O)n1 ZINC000877618706 590376473 /nfs/dbraw/zinc/37/64/73/590376473.db2.gz CQCOYXHVGXYKIW-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1CSC1 ZINC000877634674 590380073 /nfs/dbraw/zinc/38/00/73/590380073.db2.gz PSVVLZBZHGQJEJ-UHFFFAOYSA-N 1 2 247.722 2.390 20 10 BECDLO C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132604804 591724195 /nfs/dbraw/zinc/72/41/95/591724195.db2.gz ZXYRHLGOQUGGMH-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000132604804 591724198 /nfs/dbraw/zinc/72/41/98/591724198.db2.gz ZXYRHLGOQUGGMH-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]([NH2+]Cc1nccn1C)c1c(O)cccc1F ZINC000886522974 592243555 /nfs/dbraw/zinc/24/35/55/592243555.db2.gz UNGQZBYGQOJRSO-SECBINFHSA-N 1 2 249.289 2.116 20 10 BECDLO C[C@H]([NH2+]Cc1nccn1C)c1c(O)cccc1F ZINC000886522975 592244559 /nfs/dbraw/zinc/24/45/59/592244559.db2.gz UNGQZBYGQOJRSO-VIFPVBQESA-N 1 2 249.289 2.116 20 10 BECDLO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162673939 633035276 /nfs/dbraw/zinc/03/52/76/633035276.db2.gz KEOBLJJKLDGFLC-BDAKNGLRSA-N 1 2 243.734 2.152 20 10 BECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)O ZINC000309747189 633999452 /nfs/dbraw/zinc/99/94/52/633999452.db2.gz FXNJFRVBFORMSW-QMMMGPOBSA-N 1 2 243.734 2.295 20 10 BECDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(F)F ZINC000228484951 640876125 /nfs/dbraw/zinc/87/61/25/640876125.db2.gz LJHYGXRWRYJADO-SECBINFHSA-N 1 2 228.286 2.496 20 10 BECDLO CN(C)c1ccc(/C=C\C[NH+]2CCOCC2)cc1 ZINC000083310595 644404448 /nfs/dbraw/zinc/40/44/48/644404448.db2.gz PCSCBFBHLUAUTB-ARJAWSKDSA-N 1 2 246.354 2.098 20 10 BECDLO CN(C)c1ccc(C[NH2+]Cc2ccon2)cc1F ZINC000747622755 644584999 /nfs/dbraw/zinc/58/49/99/644584999.db2.gz WKYBFINMTLNTLL-UHFFFAOYSA-N 1 2 249.289 2.170 20 10 BECDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](C)O ZINC000386742090 711035826 /nfs/dbraw/zinc/03/58/26/711035826.db2.gz DPVNKYXXSGUICX-KWQFWETISA-N 1 2 243.734 2.295 20 10 BECDLO Oc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1O ZINC001203879506 966805633 /nfs/dbraw/zinc/80/56/33/966805633.db2.gz SDAIHUNORPUCHZ-JTQLQIEISA-N 1 2 225.263 2.032 20 10 BECDLO Oc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1O ZINC001203879506 966805635 /nfs/dbraw/zinc/80/56/35/966805635.db2.gz SDAIHUNORPUCHZ-JTQLQIEISA-N 1 2 225.263 2.032 20 10 BECDLO C[C@H](CCO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309740567 1167336751 /nfs/dbraw/zinc/33/67/51/1167336751.db2.gz HQLZDLZLFYOVDX-SSDOTTSWSA-N 1 2 247.697 2.045 20 10 BECDLO CC1C[NH+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332072 978560623 /nfs/dbraw/zinc/56/06/23/978560623.db2.gz XRLLRYHMTBLOPV-UHFFFAOYSA-N 1 2 213.227 2.122 20 10 BECDLO Oc1cc(F)c(F)cc1C[NH+]1CC=CC1 ZINC001142508561 961463270 /nfs/dbraw/zinc/46/32/70/961463270.db2.gz CVLHYEAKIFCFLE-UHFFFAOYSA-N 1 2 211.211 2.042 20 10 BECDLO C[N@H+](CCF)Cc1cc(F)c(F)cc1O ZINC001142534657 964375119 /nfs/dbraw/zinc/37/51/19/964375119.db2.gz QZYBDOGQNVHYBA-UHFFFAOYSA-N 1 2 219.206 2.072 20 10 BECDLO C[N@@H+](CCF)Cc1cc(F)c(F)cc1O ZINC001142534657 964375131 /nfs/dbraw/zinc/37/51/31/964375131.db2.gz QZYBDOGQNVHYBA-UHFFFAOYSA-N 1 2 219.206 2.072 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]CC1CSC1 ZINC000698005417 964879835 /nfs/dbraw/zinc/87/98/35/964879835.db2.gz JWEFKKXJHYNJIU-UHFFFAOYSA-N 1 2 243.759 2.498 20 10 BECDLO Oc1ccc(C[N@@H+]2Cc3ccncc3C2)c(O)c1 ZINC001204278906 966960935 /nfs/dbraw/zinc/96/09/35/966960935.db2.gz MPOSKBAIGJYBEP-UHFFFAOYSA-N 1 2 242.278 2.009 20 10 BECDLO Oc1ccc(C[N@H+]2Cc3ccncc3C2)c(O)c1 ZINC001204278906 966960941 /nfs/dbraw/zinc/96/09/41/966960941.db2.gz MPOSKBAIGJYBEP-UHFFFAOYSA-N 1 2 242.278 2.009 20 10 BECDLO O=C1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137833292 967833992 /nfs/dbraw/zinc/83/39/92/967833992.db2.gz ZZMVRGRFHZBHNY-UHFFFAOYSA-N 1 2 237.274 2.086 20 10 BECDLO O=C1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137833292 967834001 /nfs/dbraw/zinc/83/40/01/967834001.db2.gz ZZMVRGRFHZBHNY-UHFFFAOYSA-N 1 2 237.274 2.086 20 10 BECDLO COc1ccc(C[NH+]2CCC2)c(O)c1Cl ZINC001236806289 979738231 /nfs/dbraw/zinc/73/82/31/979738231.db2.gz TXJHNOLUISXGOY-UHFFFAOYSA-N 1 2 227.691 2.260 20 10 BECDLO COc1ccc(C[N@H+](C)CCF)c(O)c1Cl ZINC001236818604 979743832 /nfs/dbraw/zinc/74/38/32/979743832.db2.gz PILQTZMUOYGXBW-UHFFFAOYSA-N 1 2 247.697 2.456 20 10 BECDLO COc1ccc(C[N@@H+](C)CCF)c(O)c1Cl ZINC001236818604 979743842 /nfs/dbraw/zinc/74/38/42/979743842.db2.gz PILQTZMUOYGXBW-UHFFFAOYSA-N 1 2 247.697 2.456 20 10 BECDLO CC(=O)C[N@@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237934228 980114267 /nfs/dbraw/zinc/11/42/67/980114267.db2.gz JFWOTQYWNDPIAI-UHFFFAOYSA-N 1 2 245.681 2.206 20 10 BECDLO CC(=O)C[N@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237934228 980114271 /nfs/dbraw/zinc/11/42/71/980114271.db2.gz JFWOTQYWNDPIAI-UHFFFAOYSA-N 1 2 245.681 2.206 20 10 BECDLO C[N@H+](Cc1cc(F)c(Cl)cc1O)C1COC1 ZINC001237938012 980114394 /nfs/dbraw/zinc/11/43/94/980114394.db2.gz WQFHNGWJXADVDN-UHFFFAOYSA-N 1 2 245.681 2.015 20 10 BECDLO C[N@@H+](Cc1cc(F)c(Cl)cc1O)C1COC1 ZINC001237938012 980114396 /nfs/dbraw/zinc/11/43/96/980114396.db2.gz WQFHNGWJXADVDN-UHFFFAOYSA-N 1 2 245.681 2.015 20 10 BECDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCC1 ZINC001237947996 980116421 /nfs/dbraw/zinc/11/64/21/980116421.db2.gz XAUUETPMTQMQPX-UHFFFAOYSA-N 1 2 215.655 2.390 20 10 BECDLO Cc1cn2cc(-c3ccn(C)c(=O)c3)ccc2[nH+]1 ZINC001240986508 982069977 /nfs/dbraw/zinc/06/99/77/982069977.db2.gz SKLJZFBKGIHCJI-UHFFFAOYSA-N 1 2 239.278 2.008 20 10 BECDLO COC1(C)C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140461756 991643568 /nfs/dbraw/zinc/64/35/68/991643568.db2.gz SWLYTMYUMJPQEW-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO CCOC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140461369 991643892 /nfs/dbraw/zinc/64/38/92/991643892.db2.gz JLWDEEQUFKPKRK-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134910303 342927919 /nfs/dbraw/zinc/92/79/19/342927919.db2.gz SXFXGWUOKTXDPD-ZCFIWIBFSA-N 1 2 201.216 2.341 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000038011189 343365711 /nfs/dbraw/zinc/36/57/11/343365711.db2.gz CKCUQOPQLBFZFH-JTQLQIEISA-N 1 2 231.299 2.275 20 10 BECDLO CC1(C)COCC[N@@H+]1Cc1cccc(F)c1O ZINC000160223752 346444183 /nfs/dbraw/zinc/44/41/83/346444183.db2.gz YQWLTRBZMYCKNO-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO CC1(C)COCC[N@H+]1Cc1cccc(F)c1O ZINC000160223752 346444187 /nfs/dbraw/zinc/44/41/87/346444187.db2.gz YQWLTRBZMYCKNO-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccccc2O)no1 ZINC000278542576 180033683 /nfs/dbraw/zinc/03/36/83/180033683.db2.gz GLZWMVHCLARWBE-SECBINFHSA-N 1 2 247.298 2.277 20 10 BECDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)CO ZINC000292815751 352329975 /nfs/dbraw/zinc/32/99/75/352329975.db2.gz PGGFAXNHBYDYRV-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@H](C)CO ZINC000292815751 352329982 /nfs/dbraw/zinc/32/99/82/352329982.db2.gz PGGFAXNHBYDYRV-SECBINFHSA-N 1 2 243.734 2.248 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCOC1 ZINC000162828014 188161009 /nfs/dbraw/zinc/16/10/09/188161009.db2.gz PLMHDPHCFSXXFL-SECBINFHSA-N 1 2 241.718 2.172 20 10 BECDLO CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191186979 353446910 /nfs/dbraw/zinc/44/69/10/353446910.db2.gz RTQXYFFRQCKSLP-LURJTMIESA-N 1 2 201.216 2.341 20 10 BECDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO ZINC000293675331 353760971 /nfs/dbraw/zinc/76/09/71/353760971.db2.gz PGGFAXNHBYDYRV-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO ZINC000293675331 353760973 /nfs/dbraw/zinc/76/09/73/353760973.db2.gz PGGFAXNHBYDYRV-VIFPVBQESA-N 1 2 243.734 2.248 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccccc1O ZINC000038011190 384053497 /nfs/dbraw/zinc/05/34/97/384053497.db2.gz CKCUQOPQLBFZFH-SNVBAGLBSA-N 1 2 231.299 2.275 20 10 BECDLO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187727936 384974998 /nfs/dbraw/zinc/97/49/98/384974998.db2.gz BUKVUNQUKJRHRF-SFYZADRCSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187727916 384976393 /nfs/dbraw/zinc/97/63/93/384976393.db2.gz BUKVUNQUKJRHRF-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO CCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191207396 385293605 /nfs/dbraw/zinc/29/36/05/385293605.db2.gz XLFORHXRCCZXMO-MRVPVSSYSA-N 1 2 245.269 2.358 20 10 BECDLO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276238802 386290786 /nfs/dbraw/zinc/29/07/86/386290786.db2.gz AWDIDOXHROKSJJ-YUMQZZPRSA-N 1 2 245.269 2.356 20 10 BECDLO C[C@@H]([NH2+]CCCCO)c1ccc(F)c(F)c1O ZINC000279599258 386707716 /nfs/dbraw/zinc/70/77/16/386707716.db2.gz WAEZWKYNTRJTDO-MRVPVSSYSA-N 1 2 245.269 2.094 20 10 BECDLO CC[C@H]([NH2+]C[C@H](C)O)c1cccc(Cl)c1O ZINC000287130505 387377197 /nfs/dbraw/zinc/37/71/97/387377197.db2.gz YQZJNFQXJSHELQ-KWQFWETISA-N 1 2 243.734 2.467 20 10 BECDLO CC[C@@H]([NH2+]C[C@@H](C)O)c1cccc(Cl)c1O ZINC000287130508 387377245 /nfs/dbraw/zinc/37/72/45/387377245.db2.gz YQZJNFQXJSHELQ-LDYMZIIASA-N 1 2 243.734 2.467 20 10 BECDLO C[C@@H](CF)[NH2+]Cc1cccc(Cl)c1O ZINC000289223814 388351340 /nfs/dbraw/zinc/35/13/40/388351340.db2.gz AGDGCXKMXWPWQG-ZETCQYMHSA-N 1 2 217.671 2.493 20 10 BECDLO COCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294437309 174247430 /nfs/dbraw/zinc/24/74/30/174247430.db2.gz XPGAIGPJSXBGLY-UHFFFAOYSA-N 1 2 247.697 2.311 20 10 BECDLO COc1ccc(C[NH2+]Cc2ccn[nH]2)cc1C ZINC000041015508 175107772 /nfs/dbraw/zinc/10/77/72/175107772.db2.gz QHECXDNMBFWMBP-UHFFFAOYSA-N 1 2 231.299 2.017 20 10 BECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)[C@H](C)CO1 ZINC000160199582 176306681 /nfs/dbraw/zinc/30/66/81/176306681.db2.gz NCPVAFHGTBOLJL-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)[C@H](C)CO1 ZINC000160199582 176306682 /nfs/dbraw/zinc/30/66/82/176306682.db2.gz NCPVAFHGTBOLJL-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000129385004 177264156 /nfs/dbraw/zinc/26/41/56/177264156.db2.gz TYWHBDQQVFTAQC-AOOOYVTPSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000129385004 177264159 /nfs/dbraw/zinc/26/41/59/177264159.db2.gz TYWHBDQQVFTAQC-AOOOYVTPSA-N 1 2 239.290 2.141 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH+]1CCSCC1 ZINC000893922018 583247735 /nfs/dbraw/zinc/24/77/35/583247735.db2.gz XQCLFWCXPXDCSK-UHFFFAOYSA-N 1 2 245.294 2.219 20 10 BECDLO COc1ccc(N(C)Cc2c[nH+]c[nH]2)cc1OC ZINC000894461565 583466791 /nfs/dbraw/zinc/46/67/91/583466791.db2.gz HBLMDRWPDPZERR-UHFFFAOYSA-N 1 2 247.298 2.063 20 10 BECDLO COc1ccc(N(C)Cc2c[nH]c[nH+]2)cc1OC ZINC000894461565 583466793 /nfs/dbraw/zinc/46/67/93/583466793.db2.gz HBLMDRWPDPZERR-UHFFFAOYSA-N 1 2 247.298 2.063 20 10 BECDLO Cc1cccc(O)c1C[N@H+](C)Cc1ncc[nH]1 ZINC000894586321 583489153 /nfs/dbraw/zinc/48/91/53/583489153.db2.gz CBJHFITVLFAAKX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1cccc(O)c1C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586321 583489155 /nfs/dbraw/zinc/48/91/55/583489155.db2.gz CBJHFITVLFAAKX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO CCOc1ccc(O)c(C[NH2+]CC(F)F)c1 ZINC000839090383 585090460 /nfs/dbraw/zinc/09/04/60/585090460.db2.gz GMVVTVKEIONDDG-UHFFFAOYSA-N 1 2 231.242 2.146 20 10 BECDLO C[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756595998 585321556 /nfs/dbraw/zinc/32/15/56/585321556.db2.gz WTIIWBPZRSCPNE-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO CO[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000785573082 585875792 /nfs/dbraw/zinc/87/57/92/585875792.db2.gz MTMSXHCGTWMDQV-SFYZADRCSA-N 1 2 245.269 2.356 20 10 BECDLO CC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000798184065 586138816 /nfs/dbraw/zinc/13/88/16/586138816.db2.gz ZGSRIJMYDIGMRC-UHFFFAOYSA-N 1 2 211.692 2.497 20 10 BECDLO CC[C@@H]([NH2+]CC(F)(F)CN)c1ccccc1O ZINC000817965841 586854775 /nfs/dbraw/zinc/85/47/75/586854775.db2.gz DAHBPKGJZMDECO-SNVBAGLBSA-N 1 2 244.285 2.027 20 10 BECDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000825104195 587304717 /nfs/dbraw/zinc/30/47/17/587304717.db2.gz QTUKBPHUEGSWBR-LDYMZIIASA-N 1 2 241.718 2.001 20 10 BECDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000825104195 587304719 /nfs/dbraw/zinc/30/47/19/587304719.db2.gz QTUKBPHUEGSWBR-LDYMZIIASA-N 1 2 241.718 2.001 20 10 BECDLO COc1ccc([N@H+](CCCO)CC2CC2)cc1 ZINC000831583039 587620926 /nfs/dbraw/zinc/62/09/26/587620926.db2.gz NYHAYZRDJFGVCE-UHFFFAOYSA-N 1 2 235.327 2.294 20 10 BECDLO COc1ccc([N@@H+](CCCO)CC2CC2)cc1 ZINC000831583039 587620927 /nfs/dbraw/zinc/62/09/27/587620927.db2.gz NYHAYZRDJFGVCE-UHFFFAOYSA-N 1 2 235.327 2.294 20 10 BECDLO Cc1cc(O)c(C[NH+]2CCOCC2)c(Cl)c1 ZINC000840908000 587928981 /nfs/dbraw/zinc/92/89/81/587928981.db2.gz LWXOEDIEHXENOV-UHFFFAOYSA-N 1 2 241.718 2.186 20 10 BECDLO C[C@@]1(O)C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841892167 587982325 /nfs/dbraw/zinc/98/23/25/587982325.db2.gz UAQQIENKFZNRAR-WVSHTKLVSA-N 1 2 241.718 2.049 20 10 BECDLO Cc1ccc(C[N@H+](C)CC(F)F)c(O)c1 ZINC000876639141 590225066 /nfs/dbraw/zinc/22/50/66/590225066.db2.gz ATLXFTNYMLYGFT-UHFFFAOYSA-N 1 2 215.243 2.398 20 10 BECDLO Cc1ccc(C[N@@H+](C)CC(F)F)c(O)c1 ZINC000876639141 590225067 /nfs/dbraw/zinc/22/50/67/590225067.db2.gz ATLXFTNYMLYGFT-UHFFFAOYSA-N 1 2 215.243 2.398 20 10 BECDLO Cc1ccc(C[NH+]2CC(OC(F)F)C2)c(O)c1 ZINC000877581787 590365802 /nfs/dbraw/zinc/36/58/02/590365802.db2.gz SNUYHYUIYYUGDX-UHFFFAOYSA-N 1 2 243.253 2.124 20 10 BECDLO C[C@H]([NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000134901732 591957560 /nfs/dbraw/zinc/95/75/60/591957560.db2.gz DDTNDTVKLFPJBX-LURJTMIESA-N 1 2 213.227 2.483 20 10 BECDLO C[C@@H]([NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000134901753 591958204 /nfs/dbraw/zinc/95/82/04/591958204.db2.gz DDTNDTVKLFPJBX-ZCFIWIBFSA-N 1 2 213.227 2.483 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc[nH]n1 ZINC000162826395 633040343 /nfs/dbraw/zinc/04/03/43/633040343.db2.gz DIKSKFVPBCJAJE-UHFFFAOYSA-N 1 2 237.690 2.059 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C1CCOCC1 ZINC000162828544 633040581 /nfs/dbraw/zinc/04/05/81/633040581.db2.gz JZNSCNSGRBZJPJ-UHFFFAOYSA-N 1 2 241.718 2.314 20 10 BECDLO C[C@H](O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000164561607 633079816 /nfs/dbraw/zinc/07/98/16/633079816.db2.gz HFNWEUYBHOPXOG-IUCAKERBSA-N 1 2 243.734 2.295 20 10 BECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)O ZINC000309747188 634000460 /nfs/dbraw/zinc/00/04/60/634000460.db2.gz FXNJFRVBFORMSW-MRVPVSSYSA-N 1 2 243.734 2.295 20 10 BECDLO CC[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162670300 634266180 /nfs/dbraw/zinc/26/61/80/634266180.db2.gz QNULSRRGFJQTSQ-JTQLQIEISA-N 1 2 243.734 2.296 20 10 BECDLO COc1cc(C)cc(C[NH2+][C@@H](C)C(F)F)c1O ZINC000895726006 636175145 /nfs/dbraw/zinc/17/51/45/636175145.db2.gz WSADJKSITLJRJF-QMMMGPOBSA-N 1 2 245.269 2.452 20 10 BECDLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000164561482 640491849 /nfs/dbraw/zinc/49/18/49/640491849.db2.gz HFNWEUYBHOPXOG-RKDXNWHRSA-N 1 2 243.734 2.295 20 10 BECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC1 ZINC000381398751 710632034 /nfs/dbraw/zinc/63/20/34/710632034.db2.gz AUYSCZSNHVPVAB-SECBINFHSA-N 1 2 245.681 2.063 20 10 BECDLO CC(C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381468555 710641549 /nfs/dbraw/zinc/64/15/49/710641549.db2.gz LUHFVXYKZBTQHY-UHFFFAOYSA-N 1 2 247.697 2.045 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](F)C1 ZINC000708382827 712191752 /nfs/dbraw/zinc/19/17/52/712191752.db2.gz IKILBALQZCIBSU-QMMMGPOBSA-N 1 2 231.217 2.214 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](F)C1 ZINC000708382827 712191754 /nfs/dbraw/zinc/19/17/54/712191754.db2.gz IKILBALQZCIBSU-QMMMGPOBSA-N 1 2 231.217 2.214 20 10 BECDLO CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715710968 712530584 /nfs/dbraw/zinc/53/05/84/712530584.db2.gz APPYXMSMZKZPPR-UHFFFAOYSA-N 1 2 248.095 2.403 20 10 BECDLO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(F)F ZINC000389973658 712693011 /nfs/dbraw/zinc/69/30/11/712693011.db2.gz YWXQRNFUBCHMFS-LURJTMIESA-N 1 2 219.206 2.275 20 10 BECDLO C[C@H]([NH2+]CCN)c1ccc2ccccc2c1O ZINC000037712370 712745079 /nfs/dbraw/zinc/74/50/79/712745079.db2.gz YSIWCFLUYQXANJ-JTQLQIEISA-N 1 2 230.311 2.155 20 10 BECDLO Oc1ccc(F)c(F)c1C[NH+]1CC(C(F)F)C1 ZINC001233336393 978566536 /nfs/dbraw/zinc/56/65/36/978566536.db2.gz KFYKCRUZJSFXJK-UHFFFAOYSA-N 1 2 249.207 2.367 20 10 BECDLO Oc1cccc(Nc2ccn3cc[nH+]c3c2)c1O ZINC001204982653 967274596 /nfs/dbraw/zinc/27/45/96/967274596.db2.gz CGVCXNQDIIDPNR-UHFFFAOYSA-N 1 2 241.250 2.489 20 10 BECDLO Cc1[nH+]cc(Nc2cccc(O)c2O)cc1N ZINC001210288452 969856721 /nfs/dbraw/zinc/85/67/21/969856721.db2.gz QCVDACUHATXVDE-UHFFFAOYSA-N 1 2 231.255 2.127 20 10 BECDLO C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC001233073815 978461149 /nfs/dbraw/zinc/46/11/49/978461149.db2.gz CZKILUILJFBLQS-SSDOTTSWSA-N 1 2 213.227 2.265 20 10 BECDLO C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC001233073815 978461152 /nfs/dbraw/zinc/46/11/52/978461152.db2.gz CZKILUILJFBLQS-SSDOTTSWSA-N 1 2 213.227 2.265 20 10 BECDLO Cn1ccc2c1cc[nH+]c2-c1ccc[nH]c1=O ZINC001241101639 982209013 /nfs/dbraw/zinc/20/90/13/982209013.db2.gz QFXHWLCLBAWARX-UHFFFAOYSA-N 1 2 225.251 2.341 20 10 BECDLO COc1cc[nH+]cc1NCc1ccc(N)cc1 ZINC001579319959 985839011 /nfs/dbraw/zinc/83/90/11/985839011.db2.gz YTKBIEXCBHKIFJ-UHFFFAOYSA-N 1 2 229.283 2.285 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001137832879 990857950 /nfs/dbraw/zinc/85/79/50/990857950.db2.gz KWWJZGUPGCHFFK-AUTRQRHGSA-N 1 2 239.265 2.321 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001137832879 990857951 /nfs/dbraw/zinc/85/79/51/990857951.db2.gz KWWJZGUPGCHFFK-AUTRQRHGSA-N 1 2 239.265 2.321 20 10 BECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000493775842 398320396 /nfs/dbraw/zinc/32/03/96/398320396.db2.gz IWTGYCKSKGNHEQ-FPLPWBNLSA-N 1 2 227.267 2.086 20 10 BECDLO CC(C)[C@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162629892 188160460 /nfs/dbraw/zinc/16/04/60/188160460.db2.gz SZZMPOJUEDYUOA-LLVKDONJSA-N 1 2 243.734 2.152 20 10 BECDLO OCCCCC[NH2+]Cc1cccc(Cl)c1O ZINC000193047077 183047450 /nfs/dbraw/zinc/04/74/50/183047450.db2.gz PTTOWAZLHBSEOY-UHFFFAOYSA-N 1 2 243.734 2.298 20 10 BECDLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccccc1O ZINC000186420714 384841225 /nfs/dbraw/zinc/84/12/25/384841225.db2.gz TYPWATGUQZDLSY-JTQLQIEISA-N 1 2 245.269 2.061 20 10 BECDLO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(F)c(F)c1O ZINC000187713997 384977333 /nfs/dbraw/zinc/97/73/33/384977333.db2.gz OPPZDIFGFCUKLT-SSDOTTSWSA-N 1 2 245.269 2.092 20 10 BECDLO CC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276188669 386284756 /nfs/dbraw/zinc/28/47/56/386284756.db2.gz LNVXKYAVLBUVFA-HTQZYQBOSA-N 1 2 245.269 2.092 20 10 BECDLO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276238795 386289930 /nfs/dbraw/zinc/28/99/30/386289930.db2.gz AWDIDOXHROKSJJ-JGVFFNPUSA-N 1 2 245.269 2.356 20 10 BECDLO CN(C)c1ccc(C[NH2+]CC(F)F)cc1F ZINC000298175364 386306447 /nfs/dbraw/zinc/30/64/47/386306447.db2.gz UVJUYHUJYDJNBL-UHFFFAOYSA-N 1 2 232.249 2.246 20 10 BECDLO C[C@@H](O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000228090620 386541871 /nfs/dbraw/zinc/54/18/71/386541871.db2.gz LYVCUBLJPILFPV-SECBINFHSA-N 1 2 243.734 2.296 20 10 BECDLO COC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000293720855 386866347 /nfs/dbraw/zinc/86/63/47/386866347.db2.gz TZBZXBONVGNGFU-JTQLQIEISA-N 1 2 241.718 2.266 20 10 BECDLO COC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000293720855 386866350 /nfs/dbraw/zinc/86/63/50/386866350.db2.gz TZBZXBONVGNGFU-JTQLQIEISA-N 1 2 241.718 2.266 20 10 BECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccccc21 ZINC000493821605 388360423 /nfs/dbraw/zinc/36/04/23/388360423.db2.gz MBZLSHPJNBTCHO-AATRIKPKSA-N 1 2 239.278 2.012 20 10 BECDLO CCN(Cc1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000299614305 169937657 /nfs/dbraw/zinc/93/76/57/169937657.db2.gz PBRSFNQDCUGKOT-UHFFFAOYSA-N 1 2 245.326 2.455 20 10 BECDLO CC[C@@](C)(CO)[NH2+]Cc1cccc(Cl)c1O ZINC000163727727 171170949 /nfs/dbraw/zinc/17/09/49/171170949.db2.gz POHWALGWWRYLFC-LBPRGKRZSA-N 1 2 243.734 2.296 20 10 BECDLO C[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162813766 176337498 /nfs/dbraw/zinc/33/74/98/176337498.db2.gz KWXBJHJAENYGBK-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162813766 176337501 /nfs/dbraw/zinc/33/75/01/176337501.db2.gz KWXBJHJAENYGBK-SECBINFHSA-N 1 2 241.718 2.266 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000775985518 583108323 /nfs/dbraw/zinc/10/83/23/583108323.db2.gz MBVSYYONAHWEBO-QWHCGFSZSA-N 1 2 248.370 2.225 20 10 BECDLO Cc1ccc(O)c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000775985518 583108324 /nfs/dbraw/zinc/10/83/24/583108324.db2.gz MBVSYYONAHWEBO-QWHCGFSZSA-N 1 2 248.370 2.225 20 10 BECDLO Nc1ccc(NCc2[nH+]ccn2C2CC2)cc1 ZINC000904354048 584870178 /nfs/dbraw/zinc/87/01/78/584870178.db2.gz VCXXTFYTSVXRKC-UHFFFAOYSA-N 1 2 228.299 2.412 20 10 BECDLO CC[C@@H]([NH2+]CC[NH2+]C)c1cccc(Cl)c1[O-] ZINC000817953317 584991383 /nfs/dbraw/zinc/99/13/83/584991383.db2.gz ZZDJEOLYBXLUMM-LLVKDONJSA-N 1 2 242.750 2.306 20 10 BECDLO CCN(C)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000776862039 585706253 /nfs/dbraw/zinc/70/62/53/585706253.db2.gz SADYYSDBQOHZCV-UHFFFAOYSA-N 1 2 215.300 2.388 20 10 BECDLO CN(C)c1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000796439442 586103232 /nfs/dbraw/zinc/10/32/32/586103232.db2.gz PCGSYNACCLLQBJ-UHFFFAOYSA-N 1 2 244.342 2.108 20 10 BECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000796439442 586103233 /nfs/dbraw/zinc/10/32/33/586103233.db2.gz PCGSYNACCLLQBJ-UHFFFAOYSA-N 1 2 244.342 2.108 20 10 BECDLO CC[C@@H]([NH3+])CNCc1c(O)ccc(Cl)c1F ZINC000841073085 587943494 /nfs/dbraw/zinc/94/34/94/587943494.db2.gz VQRACMQYZOOCBL-SSDOTTSWSA-N 1 2 246.713 2.012 20 10 BECDLO CC[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850528072 588557177 /nfs/dbraw/zinc/55/71/77/588557177.db2.gz FCJIUUZQWXMVEN-VXNVDRBHSA-N 1 2 245.269 2.092 20 10 BECDLO Cc1c[nH]c(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000862228226 589195766 /nfs/dbraw/zinc/19/57/66/589195766.db2.gz OACSGJWXWPUBGH-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1c[nH]c(C[N@H+](C)Cc2ccccc2O)n1 ZINC000862228226 589195768 /nfs/dbraw/zinc/19/57/68/589195768.db2.gz OACSGJWXWPUBGH-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877465366 590334365 /nfs/dbraw/zinc/33/43/65/590334365.db2.gz SQMJUOZLISXEBB-YUMQZZPRSA-N 1 2 245.269 2.183 20 10 BECDLO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)no1 ZINC000877703239 590395518 /nfs/dbraw/zinc/39/55/18/590395518.db2.gz XUHBUSJPRJHVNA-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)no1 ZINC000877703239 590395521 /nfs/dbraw/zinc/39/55/21/590395521.db2.gz XUHBUSJPRJHVNA-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO CCn1nccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703187 590395597 /nfs/dbraw/zinc/39/55/97/590395597.db2.gz VJHQEERGWIVIFU-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO CCn1nccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703187 590395599 /nfs/dbraw/zinc/39/55/99/590395599.db2.gz VJHQEERGWIVIFU-UHFFFAOYSA-N 1 2 243.310 2.124 20 10 BECDLO CCSCC[N@H+](C)c1ccc(N)cc1 ZINC000129390290 591287459 /nfs/dbraw/zinc/28/74/59/591287459.db2.gz NIBSYMNURCPNHU-UHFFFAOYSA-N 1 2 210.346 2.458 20 10 BECDLO CCSCC[N@@H+](C)c1ccc(N)cc1 ZINC000129390290 591287460 /nfs/dbraw/zinc/28/74/60/591287460.db2.gz NIBSYMNURCPNHU-UHFFFAOYSA-N 1 2 210.346 2.458 20 10 BECDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1c(O)cccc1F ZINC000886524880 592245200 /nfs/dbraw/zinc/24/52/00/592245200.db2.gz SRJPDPKHOQRGDH-QMMMGPOBSA-N 1 2 235.262 2.105 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000895388930 636140955 /nfs/dbraw/zinc/14/09/55/636140955.db2.gz CKIKPMIFVVCYQT-OCAPTIKFSA-N 1 2 225.238 2.122 20 10 BECDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000895388930 636140958 /nfs/dbraw/zinc/14/09/58/636140958.db2.gz CKIKPMIFVVCYQT-OCAPTIKFSA-N 1 2 225.238 2.122 20 10 BECDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000839517725 644558376 /nfs/dbraw/zinc/55/83/76/644558376.db2.gz UOSJUOVSLYNJPQ-SECBINFHSA-N 1 2 246.314 2.012 20 10 BECDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000839517725 644558377 /nfs/dbraw/zinc/55/83/77/644558377.db2.gz UOSJUOVSLYNJPQ-SECBINFHSA-N 1 2 246.314 2.012 20 10 BECDLO C[C@H](O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381426874 710635471 /nfs/dbraw/zinc/63/54/71/710635471.db2.gz ZBOSIJADYFPELS-ZETCQYMHSA-N 1 2 247.697 2.045 20 10 BECDLO CN(C)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000382039053 710767735 /nfs/dbraw/zinc/76/77/35/710767735.db2.gz WXALKSDHHGBCTO-UHFFFAOYSA-N 1 2 228.286 2.497 20 10 BECDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](C)O ZINC000386742093 711036016 /nfs/dbraw/zinc/03/60/16/711036016.db2.gz DPVNKYXXSGUICX-LDYMZIIASA-N 1 2 243.734 2.295 20 10 BECDLO C/C=C/C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708504924 712211898 /nfs/dbraw/zinc/21/18/98/712211898.db2.gz VURWIHQXIKZPDE-NSCUHMNNSA-N 1 2 213.227 2.336 20 10 BECDLO Oc1c(C[N@@H+]2CC[C@H](CF)C2)ccc(F)c1F ZINC000711502589 712307428 /nfs/dbraw/zinc/30/74/28/712307428.db2.gz MTKZJGPFRBAVEY-MRVPVSSYSA-N 1 2 245.244 2.462 20 10 BECDLO Oc1c(C[N@H+]2CC[C@H](CF)C2)ccc(F)c1F ZINC000711502589 712307430 /nfs/dbraw/zinc/30/74/30/712307430.db2.gz MTKZJGPFRBAVEY-MRVPVSSYSA-N 1 2 245.244 2.462 20 10 BECDLO COc1cccc(O)c1C[NH2+]CC(C)(F)F ZINC000378731987 712359776 /nfs/dbraw/zinc/35/97/76/712359776.db2.gz LGWJVSJYXTYYIP-UHFFFAOYSA-N 1 2 231.242 2.146 20 10 BECDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1F ZINC001142508513 961468384 /nfs/dbraw/zinc/46/83/84/961468384.db2.gz BKNAWMQSRJXNET-HQJQHLMTSA-N 1 2 245.244 2.460 20 10 BECDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1F ZINC001142508513 961468397 /nfs/dbraw/zinc/46/83/97/961468397.db2.gz BKNAWMQSRJXNET-HQJQHLMTSA-N 1 2 245.244 2.460 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)C1(C)COC1 ZINC001231912424 977795762 /nfs/dbraw/zinc/79/57/62/977795762.db2.gz FRTSUKQKRLHHKB-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[N@@H+](Cc1cccc(Cl)c1O)C1(C)COC1 ZINC001231912424 977795770 /nfs/dbraw/zinc/79/57/70/977795770.db2.gz FRTSUKQKRLHHKB-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000402186803 970770060 /nfs/dbraw/zinc/77/00/60/970770060.db2.gz CLOOCSYKQJEKHM-WCBMZHEXSA-N 1 2 241.718 2.313 20 10 BECDLO CNc1ccc(N(C)c2ccc(N)cc2)c[nH+]1 ZINC001203460222 966961760 /nfs/dbraw/zinc/96/17/60/966961760.db2.gz RYUBVTSTANIYFP-UHFFFAOYSA-N 1 2 228.299 2.473 20 10 BECDLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC001205822494 967839160 /nfs/dbraw/zinc/83/91/60/967839160.db2.gz QTUKBPHUEGSWBR-KWQFWETISA-N 1 2 241.718 2.001 20 10 BECDLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC001205822494 967839162 /nfs/dbraw/zinc/83/91/62/967839162.db2.gz QTUKBPHUEGSWBR-KWQFWETISA-N 1 2 241.718 2.001 20 10 BECDLO Oc1cccc(F)c1C[N@@H+]1CCn2cccc2C1 ZINC001137837780 967899874 /nfs/dbraw/zinc/89/98/74/967899874.db2.gz USLDDOMNUJEHQU-UHFFFAOYSA-N 1 2 246.285 2.349 20 10 BECDLO Oc1cccc(F)c1C[N@H+]1CCn2cccc2C1 ZINC001137837780 967899876 /nfs/dbraw/zinc/89/98/76/967899876.db2.gz USLDDOMNUJEHQU-UHFFFAOYSA-N 1 2 246.285 2.349 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2ccccc2O)c[nH]1 ZINC001232464741 978107678 /nfs/dbraw/zinc/10/76/78/978107678.db2.gz KHRGAXPDJOOWHX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2ccccc2O)c[nH]1 ZINC001232464741 978107689 /nfs/dbraw/zinc/10/76/89/978107689.db2.gz KHRGAXPDJOOWHX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1ncc(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC001232464741 978107695 /nfs/dbraw/zinc/10/76/95/978107695.db2.gz KHRGAXPDJOOWHX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO Cc1ncc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC001232464741 978107702 /nfs/dbraw/zinc/10/77/02/978107702.db2.gz KHRGAXPDJOOWHX-UHFFFAOYSA-N 1 2 231.299 2.056 20 10 BECDLO CC(C)c1ccc(CN2CC[NH+](C)CC2)c(O)c1 ZINC001237047920 979811842 /nfs/dbraw/zinc/81/18/42/979811842.db2.gz NYCJFWBOPCGQEH-UHFFFAOYSA-N 1 2 248.370 2.263 20 10 BECDLO CN(c1ccc(N)cc1)c1ccc(N)[nH+]c1 ZINC001201291100 983168001 /nfs/dbraw/zinc/16/80/01/983168001.db2.gz AWUWPPUVLAQFDL-UHFFFAOYSA-N 1 2 214.272 2.014 20 10 BECDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)no1 ZINC001119244437 988860054 /nfs/dbraw/zinc/86/00/54/988860054.db2.gz GYDIAHAROPURMS-SECBINFHSA-N 1 2 247.298 2.243 20 10 BECDLO CC1(C)COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837742 990855481 /nfs/dbraw/zinc/85/54/81/990855481.db2.gz SNNGNVHEZSABJD-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO CC1(C)COCC[N@H+]1Cc1c(O)cccc1F ZINC001137837742 990855485 /nfs/dbraw/zinc/85/54/85/990855485.db2.gz SNNGNVHEZSABJD-UHFFFAOYSA-N 1 2 239.290 2.142 20 10 BECDLO O=C1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001138123641 990886430 /nfs/dbraw/zinc/88/64/30/990886430.db2.gz DPDJJEAXMXYGHQ-UHFFFAOYSA-N 1 2 237.274 2.086 20 10 BECDLO O=C1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001138123641 990886432 /nfs/dbraw/zinc/88/64/32/990886432.db2.gz DPDJJEAXMXYGHQ-UHFFFAOYSA-N 1 2 237.274 2.086 20 10 BECDLO C[C@H](CNCc1c(O)cccc1Cl)[NH+](C)C ZINC000083552439 398284041 /nfs/dbraw/zinc/28/40/41/398284041.db2.gz YYYAZDIRHOOINU-SECBINFHSA-N 1 2 242.750 2.085 20 10 BECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000493775841 398320392 /nfs/dbraw/zinc/32/03/92/398320392.db2.gz IWTGYCKSKGNHEQ-BQYQJAHWSA-N 1 2 227.267 2.086 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296636153 188096423 /nfs/dbraw/zinc/09/64/23/188096423.db2.gz COEMIMNPEYINOM-GFCCVEGCSA-N 1 2 243.310 2.201 20 10 BECDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617743 188145780 /nfs/dbraw/zinc/14/57/80/188145780.db2.gz LXBJPEZPCMEHML-VIFPVBQESA-N 1 2 249.289 2.414 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCOC1 ZINC000162860478 384699961 /nfs/dbraw/zinc/69/99/61/384699961.db2.gz SXLQQJBLHJBYAR-JTQLQIEISA-N 1 2 241.718 2.314 20 10 BECDLO C[N@H+](CCCCO)Cc1cccc(Cl)c1O ZINC000276609499 386355164 /nfs/dbraw/zinc/35/51/64/386355164.db2.gz GMDUBBHLUBBUDU-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO C[N@@H+](CCCCO)Cc1cccc(Cl)c1O ZINC000276609499 386355171 /nfs/dbraw/zinc/35/51/71/386355171.db2.gz GMDUBBHLUBBUDU-UHFFFAOYSA-N 1 2 243.734 2.250 20 10 BECDLO C[C@H](O)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000228090631 386541407 /nfs/dbraw/zinc/54/14/07/386541407.db2.gz LYVCUBLJPILFPV-VIFPVBQESA-N 1 2 243.734 2.296 20 10 BECDLO C[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293531882 386663928 /nfs/dbraw/zinc/66/39/28/386663928.db2.gz DZNNYQAOQVMFEQ-ZETCQYMHSA-N 1 2 247.697 2.045 20 10 BECDLO Cn1c[nH+]cc1CSc1nccs1 ZINC000267157805 387394725 /nfs/dbraw/zinc/39/47/25/387394725.db2.gz PWMBKQWTVKHLCS-UHFFFAOYSA-N 1 2 211.315 2.169 20 10 BECDLO CC[C@H]([NH2+][C@@H](C)CO)c1cccc(Cl)c1O ZINC000287706488 387500090 /nfs/dbraw/zinc/50/00/90/387500090.db2.gz NYPKYSAPYXGUMA-KWQFWETISA-N 1 2 243.734 2.467 20 10 BECDLO Cc1cccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493404919 388358979 /nfs/dbraw/zinc/35/89/79/388358979.db2.gz WWPYGGZKDNWHNI-VOTSOKGWSA-N 1 2 241.294 2.394 20 10 BECDLO COCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000162808777 174281001 /nfs/dbraw/zinc/28/10/01/174281001.db2.gz CSVMEVGUGZEDHH-UHFFFAOYSA-N 1 2 229.707 2.124 20 10 BECDLO COCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162808777 174281002 /nfs/dbraw/zinc/28/10/02/174281002.db2.gz CSVMEVGUGZEDHH-UHFFFAOYSA-N 1 2 229.707 2.124 20 10 BECDLO COc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1C ZINC000037989267 175108742 /nfs/dbraw/zinc/10/87/42/175108742.db2.gz WMDUHAYDOICZPP-UHFFFAOYSA-N 1 2 245.326 2.325 20 10 BECDLO C[C@H]1C[NH+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000160198440 177265097 /nfs/dbraw/zinc/26/50/97/177265097.db2.gz TYWHBDQQVFTAQC-UWVGGRQHSA-N 1 2 239.290 2.141 20 10 BECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000162807935 177265307 /nfs/dbraw/zinc/26/53/07/177265307.db2.gz YCTUAZMEWLUSAS-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000162807935 177265309 /nfs/dbraw/zinc/26/53/09/177265309.db2.gz YCTUAZMEWLUSAS-VIFPVBQESA-N 1 2 241.718 2.266 20 10 BECDLO C[N@H+](Cc1cscn1)Cc1ccccc1O ZINC000111235075 583032455 /nfs/dbraw/zinc/03/24/55/583032455.db2.gz XJPFSJOETNBSGM-UHFFFAOYSA-N 1 2 234.324 2.481 20 10 BECDLO C[N@@H+](Cc1cscn1)Cc1ccccc1O ZINC000111235075 583032457 /nfs/dbraw/zinc/03/24/57/583032457.db2.gz XJPFSJOETNBSGM-UHFFFAOYSA-N 1 2 234.324 2.481 20 10 BECDLO Oc1ccccc1C[N@@H+]1CC[C@H]1C(F)F ZINC000895436713 583674605 /nfs/dbraw/zinc/67/46/05/583674605.db2.gz POLBIQRRZPQEKV-VIFPVBQESA-N 1 2 213.227 2.232 20 10 BECDLO Oc1ccccc1C[N@H+]1CC[C@H]1C(F)F ZINC000895436713 583674607 /nfs/dbraw/zinc/67/46/07/583674607.db2.gz POLBIQRRZPQEKV-VIFPVBQESA-N 1 2 213.227 2.232 20 10 BECDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000731843085 584929551 /nfs/dbraw/zinc/92/95/51/584929551.db2.gz UETCKLHMPVNVFA-SECBINFHSA-N 1 2 247.298 2.277 20 10 BECDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000731843085 584929552 /nfs/dbraw/zinc/92/95/52/584929552.db2.gz UETCKLHMPVNVFA-SECBINFHSA-N 1 2 247.298 2.277 20 10 BECDLO COc1ccc2c(c1)CCC[N@H+]2CC1(C)COC1 ZINC000744384169 585149550 /nfs/dbraw/zinc/14/95/50/585149550.db2.gz HESZHKUJZXCIIG-UHFFFAOYSA-N 1 2 247.338 2.484 20 10 BECDLO COc1ccc2c(c1)CCC[N@@H+]2CC1(C)COC1 ZINC000744384169 585149551 /nfs/dbraw/zinc/14/95/51/585149551.db2.gz HESZHKUJZXCIIG-UHFFFAOYSA-N 1 2 247.338 2.484 20 10 BECDLO CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756342726 585317927 /nfs/dbraw/zinc/31/79/27/585317927.db2.gz LJKIOSCYBCQVJY-IONNQARKSA-N 1 2 245.269 2.092 20 10 BECDLO COC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756339578 585318116 /nfs/dbraw/zinc/31/81/16/585318116.db2.gz CGFBBLKIXKCABS-HTQZYQBOSA-N 1 2 245.269 2.356 20 10 BECDLO COc1ccc2c(c1)CCC[N@H+]2C[C@H](C)CO ZINC000766895525 585509414 /nfs/dbraw/zinc/50/94/14/585509414.db2.gz OXLWHGRKRKRNOT-NSHDSACASA-N 1 2 235.327 2.076 20 10 BECDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@H](C)CO ZINC000766895525 585509415 /nfs/dbraw/zinc/50/94/15/585509415.db2.gz OXLWHGRKRKRNOT-NSHDSACASA-N 1 2 235.327 2.076 20 10 BECDLO COc1cccc(O)c1C[N@H+](C)Cc1ccon1 ZINC000769466672 585558129 /nfs/dbraw/zinc/55/81/29/585558129.db2.gz PBQXGDGILJAQRN-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO COc1cccc(O)c1C[N@@H+](C)Cc1ccon1 ZINC000769466672 585558130 /nfs/dbraw/zinc/55/81/30/585558130.db2.gz PBQXGDGILJAQRN-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000785573084 585875836 /nfs/dbraw/zinc/87/58/36/585875836.db2.gz MTMSXHCGTWMDQV-YUMQZZPRSA-N 1 2 245.269 2.356 20 10 BECDLO Cc1nnc(C[N@@H+](C)Cc2cccc(C)c2O)o1 ZINC000827038924 587368586 /nfs/dbraw/zinc/36/85/86/587368586.db2.gz BXVIDFZXRVCCTG-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nnc(C[N@H+](C)Cc2cccc(C)c2O)o1 ZINC000827038924 587368587 /nfs/dbraw/zinc/36/85/87/587368587.db2.gz BXVIDFZXRVCCTG-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2O)no1 ZINC000827892538 587408315 /nfs/dbraw/zinc/40/83/15/587408315.db2.gz ZMGYOFCPXGHIMA-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2O)no1 ZINC000827892538 587408316 /nfs/dbraw/zinc/40/83/16/587408316.db2.gz ZMGYOFCPXGHIMA-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO COc1ccc([N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000844352652 588186875 /nfs/dbraw/zinc/18/68/75/588186875.db2.gz AOKRGVOHKHJDLM-NSHDSACASA-N 1 2 221.300 2.168 20 10 BECDLO COc1ccc([N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000844352652 588186877 /nfs/dbraw/zinc/18/68/77/588186877.db2.gz AOKRGVOHKHJDLM-NSHDSACASA-N 1 2 221.300 2.168 20 10 BECDLO CC(C)(F)C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000865654829 589454601 /nfs/dbraw/zinc/45/46/01/589454601.db2.gz WKCAZYSUSJUWKC-UHFFFAOYSA-N 1 2 242.250 2.138 20 10 BECDLO C[C@H]([NH2+]Cc1cocn1)c1c(O)cccc1F ZINC000886573913 592264703 /nfs/dbraw/zinc/26/47/03/592264703.db2.gz CDKMKSXCTOWZMD-QMMMGPOBSA-N 1 2 236.246 2.370 20 10 BECDLO C[C@H](C[C@H](C)O)[NH2+]Cc1cccc(Cl)c1O ZINC000164561723 633079626 /nfs/dbraw/zinc/07/96/26/633079626.db2.gz HFNWEUYBHOPXOG-BDAKNGLRSA-N 1 2 243.734 2.295 20 10 BECDLO COCC1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000309649818 633982411 /nfs/dbraw/zinc/98/24/11/633982411.db2.gz NRFAUDKTZQJRAF-UHFFFAOYSA-N 1 2 241.718 2.314 20 10 BECDLO COc1cc(C)cc(C[NH2+][C@H](C)C(F)F)c1O ZINC000895726005 636175512 /nfs/dbraw/zinc/17/55/12/636175512.db2.gz WSADJKSITLJRJF-MRVPVSSYSA-N 1 2 245.269 2.452 20 10 BECDLO CC[NH+](CC)C[C@@H](C)NCc1ccccc1O ZINC000045690137 711488226 /nfs/dbraw/zinc/48/82/26/711488226.db2.gz IDJSBVJSYQVSMX-GFCCVEGCSA-N 1 2 236.359 2.212 20 10 BECDLO CO[C@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000191206089 641907017 /nfs/dbraw/zinc/90/70/17/641907017.db2.gz DTHNIRHWGPDMCC-MRVPVSSYSA-N 1 2 229.707 2.170 20 10 BECDLO Cc1noc(C[N@@H+](C)Cc2cc(C)ccc2O)n1 ZINC000848927605 645444339 /nfs/dbraw/zinc/44/43/39/645444339.db2.gz IWVWMJZHECSVLU-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO Cc1noc(C[N@H+](C)Cc2cc(C)ccc2O)n1 ZINC000848927605 645444343 /nfs/dbraw/zinc/44/43/43/645444343.db2.gz IWVWMJZHECSVLU-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1c(O)cccc1F ZINC000886558830 645888063 /nfs/dbraw/zinc/88/80/63/645888063.db2.gz SXYZZHQZSDPVBM-VIFPVBQESA-N 1 2 249.289 2.116 20 10 BECDLO Oc1ccccc1C[NH2+]C1(C(F)F)CC1 ZINC000380177967 712706240 /nfs/dbraw/zinc/70/62/40/712706240.db2.gz KLYAOGNGEUADRO-UHFFFAOYSA-N 1 2 213.227 2.280 20 10 BECDLO Oc1c(C[NH+]2CCCC2)ccc(F)c1F ZINC000703447036 712076098 /nfs/dbraw/zinc/07/60/98/712076098.db2.gz HZAHMHXIWRCOBN-UHFFFAOYSA-N 1 2 213.227 2.266 20 10 BECDLO COc1cc(C)c(C[NH2+]CC(F)F)c(O)c1 ZINC001205715896 967800653 /nfs/dbraw/zinc/80/06/53/967800653.db2.gz BUSYFMCJXUDFBZ-UHFFFAOYSA-N 1 2 231.242 2.064 20 10 BECDLO CC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC001231909645 977791795 /nfs/dbraw/zinc/79/17/95/977791795.db2.gz GUPZTJLNQOEEMC-UHFFFAOYSA-N 1 2 227.691 2.066 20 10 BECDLO CC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC001231909645 977791813 /nfs/dbraw/zinc/79/18/13/977791813.db2.gz GUPZTJLNQOEEMC-UHFFFAOYSA-N 1 2 227.691 2.066 20 10 BECDLO Oc1ccc(F)c(F)c1C[NH+]1CC=CC1 ZINC001233331827 978561020 /nfs/dbraw/zinc/56/10/20/978561020.db2.gz MOFTZDPVRQZWPC-UHFFFAOYSA-N 1 2 211.211 2.042 20 10 BECDLO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203664252 966731147 /nfs/dbraw/zinc/73/11/47/966731147.db2.gz UKKFTYHNRMASMZ-PHIMTYICSA-N 1 2 239.702 2.019 20 10 BECDLO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001203664252 966731157 /nfs/dbraw/zinc/73/11/57/966731157.db2.gz UKKFTYHNRMASMZ-PHIMTYICSA-N 1 2 239.702 2.019 20 10 BECDLO Cc1nc([C@H](C)[NH2+]Cc2cc(C)ccc2O)no1 ZINC001327437703 972574690 /nfs/dbraw/zinc/57/46/90/972574690.db2.gz KKNUIUIWMFFPAU-VIFPVBQESA-N 1 2 247.298 2.243 20 10 BECDLO Cc1nc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)no1 ZINC001327437695 972576811 /nfs/dbraw/zinc/57/68/11/972576811.db2.gz KKNUIUIWMFFPAU-SECBINFHSA-N 1 2 247.298 2.243 20 10 BECDLO CC[N@H+](CC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001329234240 973586348 /nfs/dbraw/zinc/58/63/48/973586348.db2.gz CCBAHGITSZBHHX-UHFFFAOYSA-N 1 2 247.386 2.067 20 10 BECDLO CC[N@@H+](CC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001329234240 973586362 /nfs/dbraw/zinc/58/63/62/973586362.db2.gz CCBAHGITSZBHHX-UHFFFAOYSA-N 1 2 247.386 2.067 20 10 BECDLO C[N@@H+](Cc1cccc(Cl)c1O)CC1COC1 ZINC001231912609 977800911 /nfs/dbraw/zinc/80/09/11/977800911.db2.gz QXYFXLRTCQYZCJ-UHFFFAOYSA-N 1 2 241.718 2.124 20 10 BECDLO C[N@H+](Cc1cccc(Cl)c1O)CC1COC1 ZINC001231912609 977800916 /nfs/dbraw/zinc/80/09/16/977800916.db2.gz QXYFXLRTCQYZCJ-UHFFFAOYSA-N 1 2 241.718 2.124 20 10 BECDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCC1 ZINC001237122602 979820743 /nfs/dbraw/zinc/82/07/43/979820743.db2.gz WPOJMTREVUEOIK-UHFFFAOYSA-N 1 2 215.655 2.390 20 10 BECDLO C[NH+](C)Cc1cc(F)cc(Cl)c1O ZINC001237811492 980058596 /nfs/dbraw/zinc/05/85/96/980058596.db2.gz ZVMWPWTUBMVIGT-UHFFFAOYSA-N 1 2 203.644 2.246 20 10 BECDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(N)cc2)n1 ZINC001345159348 980570066 /nfs/dbraw/zinc/57/00/66/980570066.db2.gz GUPDQCYKUIQLMO-SECBINFHSA-N 1 2 246.314 2.153 20 10 BECDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(N)cc2)n1 ZINC001345159348 980570076 /nfs/dbraw/zinc/57/00/76/980570076.db2.gz GUPDQCYKUIQLMO-SECBINFHSA-N 1 2 246.314 2.153 20 10 BECDLO C/C(=C\C=C\[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001240763508 981807660 /nfs/dbraw/zinc/80/76/60/981807660.db2.gz QVPLCDFZWZGBMC-JRJWWQKUSA-N 1 2 244.338 2.399 20 10 BECDLO CC[C@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839253 990859110 /nfs/dbraw/zinc/85/91/10/990859110.db2.gz YKIXHBAUVKBXTQ-JTQLQIEISA-N 1 2 239.290 2.142 20 10 BECDLO CC[C@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137839253 990859111 /nfs/dbraw/zinc/85/91/11/990859111.db2.gz YKIXHBAUVKBXTQ-JTQLQIEISA-N 1 2 239.290 2.142 20 10 BECDLO CN(C)c1ccc(Nc2ccc(N)cc2)c[nH+]1 ZINC000387188163 993704586 /nfs/dbraw/zinc/70/45/86/993704586.db2.gz LVXOJOPZYXMOTL-UHFFFAOYSA-N 1 2 228.299 2.473 20 10 BECDLO Cc1cc(NCc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000301244904 178173763 /nfs/dbraw/zinc/17/37/63/178173763.db2.gz NPXUEWGHOXZMFA-UHFFFAOYSA-N 1 2 242.326 2.463 20 10 BECDLO C[N@H+](Cc1ccon1)Cc1ccccc1O ZINC000077284310 398255478 /nfs/dbraw/zinc/25/54/78/398255478.db2.gz RSQXPDFIPIAUIC-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO C[N@@H+](Cc1ccon1)Cc1ccccc1O ZINC000077284310 398255479 /nfs/dbraw/zinc/25/54/79/398255479.db2.gz RSQXPDFIPIAUIC-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO OCC[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000132490954 183070716 /nfs/dbraw/zinc/07/07/16/183070716.db2.gz HKROGMSCGYQSKF-UHFFFAOYSA-N 1 2 241.718 2.002 20 10 BECDLO OCC[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000132490954 183070719 /nfs/dbraw/zinc/07/07/19/183070719.db2.gz HKROGMSCGYQSKF-UHFFFAOYSA-N 1 2 241.718 2.002 20 10 BECDLO OC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000132495283 183120529 /nfs/dbraw/zinc/12/05/29/183120529.db2.gz COINNAJGCVIGME-JTQLQIEISA-N 1 2 241.718 2.002 20 10 BECDLO OC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000132495283 183120531 /nfs/dbraw/zinc/12/05/31/183120531.db2.gz COINNAJGCVIGME-JTQLQIEISA-N 1 2 241.718 2.002 20 10 BECDLO COC[C@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000162833236 384691822 /nfs/dbraw/zinc/69/18/22/384691822.db2.gz ZANKVYLOLJEZJF-SECBINFHSA-N 1 2 243.734 2.418 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCO1 ZINC000162823596 384692201 /nfs/dbraw/zinc/69/22/01/384692201.db2.gz PGOVLZWCHAECTD-SNVBAGLBSA-N 1 2 241.718 2.314 20 10 BECDLO CC[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000162826807 384692410 /nfs/dbraw/zinc/69/24/10/384692410.db2.gz OXJZLJHZBUUVEY-LBPRGKRZSA-N 1 2 243.734 2.296 20 10 BECDLO C[C@@H](C[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000163729067 384851889 /nfs/dbraw/zinc/85/18/89/384851889.db2.gz JLZVSXQWROTRRX-VIFPVBQESA-N 1 2 242.750 2.085 20 10 BECDLO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(F)c(F)c1O ZINC000187727955 384976621 /nfs/dbraw/zinc/97/66/21/384976621.db2.gz BUKVUNQUKJRHRF-JGVFFNPUSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(F)c1O ZINC000272287917 385166428 /nfs/dbraw/zinc/16/64/28/385166428.db2.gz NTFOCUYGTNCSCZ-ZJUUUORDSA-N 1 2 239.290 2.141 20 10 BECDLO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000361053746 385527711 /nfs/dbraw/zinc/52/77/11/385527711.db2.gz SNZIRWJWZPTBPI-NSHDSACASA-N 1 2 245.282 2.112 20 10 BECDLO Oc1ccccc1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000361053746 385527717 /nfs/dbraw/zinc/52/77/17/385527717.db2.gz SNZIRWJWZPTBPI-NSHDSACASA-N 1 2 245.282 2.112 20 10 BECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccccc21 ZINC000493821606 388360609 /nfs/dbraw/zinc/36/06/09/388360609.db2.gz MBZLSHPJNBTCHO-WAYWQWQTSA-N 1 2 239.278 2.012 20 10 BECDLO CCN(Cc1c[nH+]cn1C)c1ccc(OC)cc1 ZINC000267608341 169930453 /nfs/dbraw/zinc/93/04/53/169930453.db2.gz NIQSCTVPVYXIBY-UHFFFAOYSA-N 1 2 245.326 2.455 20 10 BECDLO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187720607 176965013 /nfs/dbraw/zinc/96/50/13/176965013.db2.gz RAXABIXESQUXJY-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000493038528 528908072 /nfs/dbraw/zinc/90/80/72/528908072.db2.gz IPNPJKWSKGPANE-CMDGGOBGSA-N 1 2 241.294 2.476 20 10 BECDLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2O)no1 ZINC000877642504 583341444 /nfs/dbraw/zinc/34/14/44/583341444.db2.gz YCARNRRFSSSXEU-UHFFFAOYSA-N 1 2 247.298 2.024 20 10 BECDLO CC1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894609297 583492222 /nfs/dbraw/zinc/49/22/22/583492222.db2.gz QIPKRRUIMNKIHP-UHFFFAOYSA-N 1 2 213.227 2.122 20 10 BECDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1c(O)cccc1F ZINC000903351745 584755513 /nfs/dbraw/zinc/75/55/13/584755513.db2.gz NTPQOPWGDYNZPK-VIFPVBQESA-N 1 2 249.289 2.116 20 10 BECDLO COc1cccc(O)c1C[N@@H+]1CCC=C(F)C1 ZINC000770667608 585579325 /nfs/dbraw/zinc/57/93/25/585579325.db2.gz QSGHQGATVZRTIV-UHFFFAOYSA-N 1 2 237.274 2.460 20 10 BECDLO COc1cccc(O)c1C[N@H+]1CCC=C(F)C1 ZINC000770667608 585579326 /nfs/dbraw/zinc/57/93/26/585579326.db2.gz QSGHQGATVZRTIV-UHFFFAOYSA-N 1 2 237.274 2.460 20 10 BECDLO COc1ccc(CNc2cc[nH+]c(C)n2)c(O)c1 ZINC000795284863 586074612 /nfs/dbraw/zinc/07/46/12/586074612.db2.gz LRMBGIVLFWUERL-UHFFFAOYSA-N 1 2 245.282 2.111 20 10 BECDLO COc1ccc2c(c1)CCN2Cc1[nH]cc(C)[nH+]1 ZINC000862212009 589194537 /nfs/dbraw/zinc/19/45/37/589194537.db2.gz MOGWDSCNVVYXMT-UHFFFAOYSA-N 1 2 243.310 2.289 20 10 BECDLO Cc1nocc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702900 590396214 /nfs/dbraw/zinc/39/62/14/590396214.db2.gz JIORKONSISWTKW-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Cc1cnc(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702616 590396510 /nfs/dbraw/zinc/39/65/10/590396510.db2.gz DXSBJDGRZWFBMU-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO Cc1cnc(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702616 590396512 /nfs/dbraw/zinc/39/65/12/590396512.db2.gz DXSBJDGRZWFBMU-UHFFFAOYSA-N 1 2 230.267 2.204 20 10 BECDLO C[C@@H](C[NH+](C)C)N[C@@H](C)c1c(O)cccc1F ZINC000886609349 592274289 /nfs/dbraw/zinc/27/42/89/592274289.db2.gz RAMSLZLOBRGBSV-UWVGGRQHSA-N 1 2 240.322 2.132 20 10 BECDLO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000162728556 633036933 /nfs/dbraw/zinc/03/69/33/633036933.db2.gz VZVNRJZNJCWHRQ-QMMMGPOBSA-N 1 2 243.734 2.295 20 10 BECDLO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000162728686 634312253 /nfs/dbraw/zinc/31/22/53/634312253.db2.gz VZVNRJZNJCWHRQ-MRVPVSSYSA-N 1 2 243.734 2.295 20 10 BECDLO Cc1cc(C[NH2+]Cc2c(O)cccc2F)on1 ZINC000896644933 636210019 /nfs/dbraw/zinc/21/00/19/636210019.db2.gz ZRIDUQIZXWHPJR-UHFFFAOYSA-N 1 2 236.246 2.118 20 10 BECDLO COC1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000230690485 641086809 /nfs/dbraw/zinc/08/68/09/641086809.db2.gz DPLQXWIWBWNIAC-UHFFFAOYSA-N 1 2 241.718 2.313 20 10 BECDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1O ZINC000062748096 641090437 /nfs/dbraw/zinc/09/04/37/641090437.db2.gz UNMBVBJSFWFEMW-QMMMGPOBSA-N 1 2 235.262 2.105 20 10 BECDLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)c(O)c1 ZINC000041014725 641539764 /nfs/dbraw/zinc/53/97/64/641539764.db2.gz RATXWMUDNJHLAX-JTQLQIEISA-N 1 2 231.299 2.275 20 10 BECDLO Cc1[nH]ncc1C[NH2+]Cc1cc(C)ccc1O ZINC000071408184 642457110 /nfs/dbraw/zinc/45/71/10/642457110.db2.gz HSTCZBVYLJANDI-UHFFFAOYSA-N 1 2 231.299 2.022 20 10 BECDLO COC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381305932 710619893 /nfs/dbraw/zinc/61/98/93/710619893.db2.gz JVSLDTXJKBKDRX-ZETCQYMHSA-N 1 2 247.697 2.309 20 10 BECDLO CC(C)[N@H+](C)C[C@H](C)NCc1ccccc1O ZINC000383307727 710980788 /nfs/dbraw/zinc/98/07/88/710980788.db2.gz QEGCMLUDURLVKS-LBPRGKRZSA-N 1 2 236.359 2.211 20 10 BECDLO COc1ccc(O)c(C[NH2+][C@@H](C)C(F)F)c1 ZINC000389936577 711098172 /nfs/dbraw/zinc/09/81/72/711098172.db2.gz MVCFNNYOQVNOEU-ZETCQYMHSA-N 1 2 231.242 2.144 20 10 BECDLO Cc1noc(CCC[N@@H+](C)c2ccc(N)cc2)n1 ZINC000702092955 712039131 /nfs/dbraw/zinc/03/91/31/712039131.db2.gz QGZIFPWMLWUPBK-UHFFFAOYSA-N 1 2 246.314 2.029 20 10 BECDLO Cc1noc(CCC[N@H+](C)c2ccc(N)cc2)n1 ZINC000702092955 712039132 /nfs/dbraw/zinc/03/91/32/712039132.db2.gz QGZIFPWMLWUPBK-UHFFFAOYSA-N 1 2 246.314 2.029 20 10 BECDLO CC[N@H+](Cc1cccc(Cl)c1O)C1COC1 ZINC001231912516 977796237 /nfs/dbraw/zinc/79/62/37/977796237.db2.gz KEKVBGCIYJDPNP-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO CC[N@@H+](Cc1cccc(Cl)c1O)C1COC1 ZINC001231912516 977796244 /nfs/dbraw/zinc/79/62/44/977796244.db2.gz KEKVBGCIYJDPNP-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(F)cc1O ZINC000397866040 960531957 /nfs/dbraw/zinc/53/19/57/960531957.db2.gz ABQXTPRDWDSKAH-MRVPVSSYSA-N 1 2 236.246 2.370 20 10 BECDLO Cc1ccc(C[NH+]2C[C@@H](F)[C@H](F)C2)c(O)c1 ZINC001140947718 960750085 /nfs/dbraw/zinc/75/00/85/960750085.db2.gz CKEWOVMEVDLKFO-GHMZBOCLSA-N 1 2 227.254 2.192 20 10 BECDLO COc1ccc(C[N@H+](C)Cc2ccon2)c(O)c1 ZINC001203629177 966713040 /nfs/dbraw/zinc/71/30/40/966713040.db2.gz SAWHPNJDVLBVIG-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO COc1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1 ZINC001203629177 966713052 /nfs/dbraw/zinc/71/30/52/966713052.db2.gz SAWHPNJDVLBVIG-UHFFFAOYSA-N 1 2 248.282 2.021 20 10 BECDLO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1F ZINC001203875317 966806562 /nfs/dbraw/zinc/80/65/62/966806562.db2.gz LIAOJDQAZRTZNZ-MWLCHTKSSA-N 1 2 239.290 2.278 20 10 BECDLO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1F ZINC001203875317 966806563 /nfs/dbraw/zinc/80/65/63/966806563.db2.gz LIAOJDQAZRTZNZ-MWLCHTKSSA-N 1 2 239.290 2.278 20 10 BECDLO CCCOC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203934122 966825349 /nfs/dbraw/zinc/82/53/49/966825349.db2.gz NSBPHIMBJSSVOS-UHFFFAOYSA-N 1 2 248.370 2.363 20 10 BECDLO OCc1cc[nH+]c(NCc2cc(F)ccc2O)c1 ZINC001206366738 968259801 /nfs/dbraw/zinc/25/98/01/968259801.db2.gz YGSAFNZOSPVRQW-UHFFFAOYSA-N 1 2 248.257 2.031 20 10 BECDLO C[C@@H]1C[NH+](Cc2c(O)cccc2F)C[C@@H](C)O1 ZINC001137831537 990853641 /nfs/dbraw/zinc/85/36/41/990853641.db2.gz DEYAYHCAHLBIHA-NXEZZACHSA-N 1 2 239.290 2.141 20 10 BECDLO C[N@H+](Cc1c(O)cccc1Cl)C1(C)COC1 ZINC001140341367 991611793 /nfs/dbraw/zinc/61/17/93/991611793.db2.gz KEDICZZDZSWXRQ-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO C[N@@H+](Cc1c(O)cccc1Cl)C1(C)COC1 ZINC001140341367 991611795 /nfs/dbraw/zinc/61/17/95/991611795.db2.gz KEDICZZDZSWXRQ-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCOC1 ZINC000162827890 384691350 /nfs/dbraw/zinc/69/13/50/384691350.db2.gz PLMHDPHCFSXXFL-VIFPVBQESA-N 1 2 241.718 2.172 20 10 BECDLO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187720658 384976349 /nfs/dbraw/zinc/97/63/49/384976349.db2.gz RAXABIXESQUXJY-HTQZYQBOSA-N 1 2 245.269 2.092 20 10 BECDLO C[N@H+](Cc1cocn1)Cc1ccccc1O ZINC000191933941 385334540 /nfs/dbraw/zinc/33/45/40/385334540.db2.gz GYGOBIDZFBLGAT-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO C[N@@H+](Cc1cocn1)Cc1ccccc1O ZINC000191933941 385334545 /nfs/dbraw/zinc/33/45/45/385334545.db2.gz GYGOBIDZFBLGAT-UHFFFAOYSA-N 1 2 218.256 2.012 20 10 BECDLO CCOc1ccc([N@H+](CC)CCCO)cc1 ZINC000264213898 386218915 /nfs/dbraw/zinc/21/89/15/386218915.db2.gz NHKKHCOZDLSVRE-UHFFFAOYSA-N 1 2 223.316 2.294 20 10 BECDLO CCOc1ccc([N@@H+](CC)CCCO)cc1 ZINC000264213898 386218920 /nfs/dbraw/zinc/21/89/20/386218920.db2.gz NHKKHCOZDLSVRE-UHFFFAOYSA-N 1 2 223.316 2.294 20 10 BECDLO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276188677 386283441 /nfs/dbraw/zinc/28/34/41/386283441.db2.gz LNVXKYAVLBUVFA-YUMQZZPRSA-N 1 2 245.269 2.092 20 10 BECDLO C[C@@H]([NH2+]C1CC1)c1ccc(F)c(F)c1O ZINC000191179931 386770159 /nfs/dbraw/zinc/77/01/59/386770159.db2.gz ZCHHJTYGZGHHSB-ZCFIWIBFSA-N 1 2 213.227 2.483 20 10 BECDLO CCOC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000297419156 170337325 /nfs/dbraw/zinc/33/73/25/170337325.db2.gz MEBACYNGQHZIAR-UHFFFAOYSA-N 1 2 241.718 2.266 20 10 BECDLO COCCC[NH2+]Cc1cccc(Cl)c1O ZINC000162822457 174248628 /nfs/dbraw/zinc/24/86/28/174248628.db2.gz VXOYPRKDJVQRBD-UHFFFAOYSA-N 1 2 229.707 2.172 20 10 BECDLO C[N@@H+](Cc1ccccc1O)CC(F)F ZINC000112981664 588822089 /nfs/dbraw/zinc/82/20/89/588822089.db2.gz VWQLABLQJZYRKK-UHFFFAOYSA-N 1 2 201.216 2.089 20 10 BECDLO C[N@H+](Cc1ccccc1O)CC(F)F ZINC000112981664 588822090 /nfs/dbraw/zinc/82/20/90/588822090.db2.gz VWQLABLQJZYRKK-UHFFFAOYSA-N 1 2 201.216 2.089 20 10 BECDLO Oc1c(F)cc(F)cc1C[NH+]1CC(C(F)F)C1 ZINC000894976462 583562210 /nfs/dbraw/zinc/56/22/10/583562210.db2.gz JXYBFDLSQKNZRD-UHFFFAOYSA-N 1 2 249.207 2.367 20 10 BECDLO Cc1ncc(C[NH2+]Cc2c(O)cccc2F)o1 ZINC000896637984 583819925 /nfs/dbraw/zinc/81/99/25/583819925.db2.gz MNLSJEYIKGWOBQ-UHFFFAOYSA-N 1 2 236.246 2.118 20 10 BECDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000731843086 584929612 /nfs/dbraw/zinc/92/96/12/584929612.db2.gz UETCKLHMPVNVFA-VIFPVBQESA-N 1 2 247.298 2.277 20 10 BECDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000731843086 584929613 /nfs/dbraw/zinc/92/96/13/584929613.db2.gz UETCKLHMPVNVFA-VIFPVBQESA-N 1 2 247.298 2.277 20 10 BECDLO COc1cccc(CNc2cc[nH+]c(C)n2)c1O ZINC000742399974 585125795 /nfs/dbraw/zinc/12/57/95/585125795.db2.gz FDUAPQDUWMAMIT-UHFFFAOYSA-N 1 2 245.282 2.111 20 10 BECDLO CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756342712 585317922 /nfs/dbraw/zinc/31/79/22/585317922.db2.gz LJKIOSCYBCQVJY-APPZFPTMSA-N 1 2 245.269 2.092 20 10 BECDLO COC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756339583 585317978 /nfs/dbraw/zinc/31/79/78/585317978.db2.gz CGFBBLKIXKCABS-YUMQZZPRSA-N 1 2 245.269 2.356 20 10 BECDLO C[C@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756595995 585321658 /nfs/dbraw/zinc/32/16/58/585321658.db2.gz WTIIWBPZRSCPNE-HTQZYQBOSA-N 1 2 245.269 2.092 20 10 BECDLO CCOc1ccc(C[N@H+](C)CC(F)F)c(O)c1 ZINC000769121086 585549487 /nfs/dbraw/zinc/54/94/87/585549487.db2.gz PVDPORNPRCDLIO-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO CCOc1ccc(C[N@@H+](C)CC(F)F)c(O)c1 ZINC000769121086 585549488 /nfs/dbraw/zinc/54/94/88/585549488.db2.gz PVDPORNPRCDLIO-UHFFFAOYSA-N 1 2 245.269 2.488 20 10 BECDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000788269060 585919942 /nfs/dbraw/zinc/91/99/42/585919942.db2.gz LBZLIBOVSRGFRV-SCZZXKLOSA-N 1 2 241.718 2.001 20 10 BECDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000788269060 585919943 /nfs/dbraw/zinc/91/99/43/585919943.db2.gz LBZLIBOVSRGFRV-SCZZXKLOSA-N 1 2 241.718 2.001 20 10 BECDLO COc1ccc(CNc2cc(C)[nH+]cn2)c(O)c1 ZINC000795285920 586074803 /nfs/dbraw/zinc/07/48/03/586074803.db2.gz WAJVITXHGVFNRZ-UHFFFAOYSA-N 1 2 245.282 2.111 20 10 BECDLO FCC(CF)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824554467 587275701 /nfs/dbraw/zinc/27/57/01/587275701.db2.gz HESQBPAGMCNNAA-UHFFFAOYSA-N 1 2 227.254 2.019 20 10 BECDLO COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000841059509 587940375 /nfs/dbraw/zinc/94/03/75/587940375.db2.gz SXUQBNJOYPAYRZ-RISCZKNCSA-N 1 2 248.370 2.091 20 10 BECDLO CC[C@H]([NH3+])CNCc1c(O)ccc(Cl)c1F ZINC000841073086 587943863 /nfs/dbraw/zinc/94/38/63/587943863.db2.gz VQRACMQYZOOCBL-ZETCQYMHSA-N 1 2 246.713 2.012 20 10 BECDLO Oc1c(C[NH+]2CCSCC2)ccc(F)c1F ZINC000876561274 590215160 /nfs/dbraw/zinc/21/51/60/590215160.db2.gz QAKRWPTXNVJRNC-UHFFFAOYSA-N 1 2 245.294 2.219 20 10 BECDLO CC1([NH2+]Cc2cc(Cl)cc(F)c2O)COC1 ZINC000877691353 590393324 /nfs/dbraw/zinc/39/33/24/590393324.db2.gz NKRCEXBRXCYMRE-UHFFFAOYSA-N 1 2 245.681 2.063 20 10 BECDLO Cc1[nH]c(CN2Cc3cccc(O)c3C2)[nH+]c1C ZINC000877702892 590396158 /nfs/dbraw/zinc/39/61/58/590396158.db2.gz JBMSPWPXSLYPKF-UHFFFAOYSA-N 1 2 243.310 2.248 20 10 BECDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ncco1 ZINC000886274258 592194950 /nfs/dbraw/zinc/19/49/50/592194950.db2.gz PJYZAPNZWYJWGQ-JTQLQIEISA-N 1 2 244.294 2.460 20 10 BECDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccon1 ZINC000162869602 633041264 /nfs/dbraw/zinc/04/12/64/633041264.db2.gz GKHKHEICOBIMDO-UHFFFAOYSA-N 1 2 238.674 2.323 20 10 BECDLO CC[C@H](CCO)[NH2+]Cc1cccc(Cl)c1O ZINC000162670407 634265280 /nfs/dbraw/zinc/26/52/80/634265280.db2.gz QNULSRRGFJQTSQ-SNVBAGLBSA-N 1 2 243.734 2.296 20 10 BECDLO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000044693241 640451091 /nfs/dbraw/zinc/45/10/91/640451091.db2.gz OZFYIEGAIKQRKI-UHFFFAOYSA-N 1 2 244.294 2.208 20 10 BECDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(F)F ZINC000228484957 640876198 /nfs/dbraw/zinc/87/61/98/640876198.db2.gz LJHYGXRWRYJADO-VIFPVBQESA-N 1 2 228.286 2.496 20 10 BECDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1O ZINC000062748097 641091843 /nfs/dbraw/zinc/09/18/43/641091843.db2.gz UNMBVBJSFWFEMW-MRVPVSSYSA-N 1 2 235.262 2.105 20 10 BECDLO C/C=C\C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708504915 712212082 /nfs/dbraw/zinc/21/20/82/712212082.db2.gz VURWIHQXIKZPDE-IHWYPQMZSA-N 1 2 213.227 2.336 20 10 BECDLO